Input buildinfo: https://buildinfos.debian.net/buildinfo-pool/c/cp2k/cp2k_8.1-9_amd64.buildinfo Use metasnap for getting required timestamps New buildinfo file: /tmp/cp2k-8.1-9tgc479lj/cp2k_8.1-9_amd64.buildinfo Get source package info: cp2k=8.1-9 Source URL: http://snapshot.notset.fr/mr/package/cp2k/8.1-9/srcfiles?fileinfo=1 env -i PATH=/usr/sbin:/usr/bin:/sbin:/bin TMPDIR=/tmp mmdebstrap --arch=amd64 --include=adduser=3.118 autoconf=2.69-14 automake=1:1.16.3-2 autopoint=0.21-4 autotools-dev=20180224.1+nmu1 base-files=11 base-passwd=3.5.49 bash=5.1-2+b1 bc=1.07.1-2+b2 binutils=2.35.2-2 binutils-common=2.35.2-2 binutils-x86-64-linux-gnu=2.35.2-2 bison=2:3.7.5+dfsg-1 bsdextrautils=2.36.1-7 bsdutils=1:2.36.1-7 build-essential=12.9 bzip2=1.0.8-4 ca-certificates=20210119 ca-certificates-java=20190909 coreutils=8.32-4+b1 cpp=4:10.2.1-1 cpp-10=10.2.1-6 dash=0.5.11+git20210120+802ebd4-1 debconf=1.5.76 debhelper=13.3.4 debianutils=4.11.2 default-jre-headless=2:1.11-72 dh-autoreconf=20 dh-strip-nondeterminism=1.11.0-1 diffutils=1:3.7-5 dpkg=1.20.7.1 dpkg-dev=1.20.7.1 dwz=0.14-1 file=1:5.39-3 findutils=4.8.0-1 flex=2.6.4-8 fontconfig-config=2.13.1-4.2 fonts-dejavu-core=2.37-2 g++=4:10.2.1-1 g++-10=10.2.1-6 gcc=4:10.2.1-1 gcc-10=10.2.1-6 gcc-10-base=10.2.1-6 gettext=0.21-4 gettext-base=0.21-4 gfortran=4:10.2.1-1 gfortran-10=10.2.1-6 grep=3.6-1 groff-base=1.22.4-6 gzip=1.10-4 hostname=3.23 ibverbs-providers=33.1-1 init-system-helpers=1.60 intltool-debian=0.35.0+20060710.5 java-common=0.72 libacl1=2.2.53-10 libarchive-zip-perl=1.68-1 libasan6=10.2.1-6 libasound2=1.2.4-1.1 libasound2-data=1.2.4-1.1 libatomic1=10.2.1-6 libattr1=1:2.4.48-6 libaudit-common=1:3.0-2 libaudit1=1:3.0-2 libavahi-client3=0.8-5 libavahi-common-data=0.8-5 libavahi-common3=0.8-5 libbinutils=2.35.2-2 libblas-dev=3.9.0-3 libblas3=3.9.0-3 libblkid1=2.36.1-7 libbrotli1=1.0.9-2+b2 libbsd0=0.11.3-1 libbz2-1.0=1.0.8-4 libc-bin=2.31-10 libc-dev-bin=2.31-10 libc6=2.31-10 libc6-dev=2.31-10 libcap-ng0=0.7.9-2.2+b1 libcbor0=0.5.0+dfsg-2 libcc1-0=10.2.1-6 libcom-err2=1.46.2-1 libcrypt-dev=1:4.4.18-1 libcrypt1=1:4.4.18-1 libctf-nobfd0=2.35.2-2 libctf0=2.35.2-2 libcups2=2.3.3op2-3 libdb5.3=5.3.28+dfsg1-0.8 libdbus-1-3=1.12.20-2 libdebconfclient0=0.257 libdebhelper-perl=13.3.4 libdom4j-java=2.1.3-1 libdpkg-perl=1.20.7.1 libedit2=3.1-20191231-2+b1 libelf1=0.183-3 libelpa-dev=2019.11.001-4 libelpa15=2019.11.001-4 libevent-2.1-7=2.1.12-stable-1 libevent-core-2.1-7=2.1.12-stable-1 libevent-dev=2.1.12-stable-1 libevent-extra-2.1-7=2.1.12-stable-1 libevent-openssl-2.1-7=2.1.12-stable-1 libevent-pthreads-2.1-7=2.1.12-stable-1 libexpat1=2.2.10-2 libfabric1=1.11.0-2 libffi7=3.3-6 libfftw3-bin=3.3.8-2 libfftw3-dev=3.3.8-2 libfftw3-double3=3.3.8-2 libfftw3-long3=3.3.8-2 libfftw3-quad3=3.3.8-2 libfftw3-single3=3.3.8-2 libfido2-1=1.6.0-2 libfile-stripnondeterminism-perl=1.11.0-1 libfontconfig1=2.13.1-4.2 libfreetype6=2.10.4+dfsg-1 libgcc-10-dev=10.2.1-6 libgcc-s1=10.2.1-6 libgcrypt20=1.8.7-3 libgdbm-compat4=1.19-2 libgdbm6=1.19-2 libgfortran-10-dev=10.2.1-6 libgfortran5=10.2.1-6 libglib2.0-0=2.66.8-1 libgmp10=2:6.2.1+dfsg-1 libgnutls30=3.7.1-1 libgomp1=10.2.1-6 libgpg-error0=1.38-2 libgraphite2-3=1.3.14-1 libgssapi-krb5-2=1.18.3-4 libharfbuzz0b=2.7.4-1 libhogweed6=3.7-2.1 libhwloc-dev=2.4.1+dfsg-1 libhwloc-plugins=2.4.1+dfsg-1 libhwloc15=2.4.1+dfsg-1 libibverbs-dev=33.1-1 libibverbs1=33.1-1 libicu67=67.1-6 libidn2-0=2.3.0-5 libint2-2=2.6.0-13 libint2-dev=2.6.0-13 libisl23=0.23-1 libitm1=10.2.1-6 libjaxen-java=1.1.6-4 libjdom1-java=1.1.3-2 libjpeg62-turbo=1:2.0.6-4 libjs-jquery=3.5.1+dfsg+~3.5.5-7 libjs-jquery-ui=1.12.1+dfsg-8 libk5crypto3=1.18.3-4 libkeyutils1=1.6.1-2 libkrb5-3=1.18.3-4 libkrb5support0=1.18.3-4 liblapack-dev=3.9.0-3 liblapack3=3.9.0-3 liblcms2-2=2.12~rc1-2 liblsan0=10.2.1-6 libltdl-dev=2.4.6-15 libltdl7=2.4.6-15 liblz4-1=1.9.3-1 liblzma5=5.2.5-2 libmagic-mgc=1:5.39-3 libmagic1=1:5.39-3 libmd0=1.0.3-3 libmount1=2.36.1-7 libmpc3=1.2.0-1 libmpdec3=2.5.1-1 libmpfr6=4.1.0-3 libncurses6=6.2+20201114-2 libncursesw6=6.2+20201114-2 libnettle8=3.7-2.1 libnl-3-200=3.4.0-1+b1 libnl-3-dev=3.4.0-1+b1 libnl-route-3-200=3.4.0-1+b1 libnl-route-3-dev=3.4.0-1+b1 libnsl-dev=1.3.0-2 libnsl2=1.3.0-2 libnspr4=2:4.29-1 libnss3=2:3.61-1 libnuma-dev=2.0.12-1+b1 libnuma1=2.0.12-1+b1 libopenmpi-dev=4.1.0-8 libopenmpi3=4.1.0-8 libp11-kit0=0.23.22-1 libpam-modules=1.4.0-7 libpam-modules-bin=1.4.0-7 libpam-runtime=1.4.0-7 libpam0g=1.4.0-7 libpciaccess0=0.16-1 libpcre2-8-0=10.36-2 libpcre3=2:8.39-13 libpcsclite1=1.9.1-1 libperl5.32=5.32.1-3 libpipeline1=1.5.3-1 libpmix-dev=4.0.0-4 libpmix2=4.0.0-4 libpng16-16=1.6.37-3 libpsm-infinipath1=3.3+20.604758e7-6.1 libpsm2-2=11.2.185-1 libpython3-stdlib=3.9.2-2 libpython3.9-minimal=3.9.2-1 libpython3.9-stdlib=3.9.2-1 libquadmath0=10.2.1-6 librdmacm1=33.1-1 libreadline8=8.1-1 libsaxonb-java=9.1.0.8+dfsg-2 libscalapack-mpi-dev=2.1.0-4 libscalapack-openmpi-dev=2.1.0-4 libscalapack-openmpi2.1=2.1.0-4 libseccomp2=2.5.1-1 libselinux1=3.1-3 libsemanage-common=3.1-1 libsemanage1=3.1-1+b2 libsepol1=3.1-1 libsigsegv2=2.13-1 libsmartcols1=2.36.1-7 libsqlite3-0=3.34.1-3 libssl1.1=1.1.1j-1 libstdc++-10-dev=10.2.1-6 libstdc++6=10.2.1-6 libsub-override-perl=0.09-2 libsymspg-dev=1.16.1-1 libsymspg1=1.16.1-1 libsystemd0=247.3-3 libtasn1-6=4.16.0-2 libtinfo6=6.2+20201114-2 libtirpc-common=1.3.1-1 libtirpc-dev=1.3.1-1 libtirpc3=1.3.1-1 libtool=2.4.6-15 libtsan0=10.2.1-6 libubsan1=10.2.1-6 libuchardet0=0.0.7-1 libucx0=1.10.0~rc1-7 libudev1=247.3-3 libunistring2=0.9.10-4 libuuid1=2.36.1-7 libx11-6=2:1.7.0-2 libx11-data=2:1.7.0-2 libxau6=1:1.0.9-1 libxc-dev=4.3.4-2 libxc5=4.3.4-2 libxcb1=1.14-3 libxdmcp6=1:1.1.2-3 libxerces2-java=2.12.1-1 libxext6=2:1.3.3-1.1 libxml-commons-external-java=1.4.01-5 libxml-commons-resolver1.1-java=1.2-11 libxml2=2.9.10+dfsg-6.3+b1 libxnvctrl0=460.56-1 libxom-java=1.2.10-1.1 libzstd1=1.4.8+dfsg-2.1 linux-libc-dev=5.10.24-1 login=1:4.8.1-1 lsb-base=11.1.0 m4=1.4.18-5 make=4.3-4 man-db=2.9.4-2 mawk=1.3.4.20200120-2 media-types=4.0.0 mpi-default-bin=1.13 mpi-default-dev=1.13 ncurses-base=6.2+20201114-2 ncurses-bin=6.2+20201114-2 ocl-icd-libopencl1=2.2.14-2 openjdk-11-jre-headless=11.0.11+7-1 openmpi-bin=4.1.0-8 openmpi-common=4.1.0-8 openssh-client=1:8.4p1-5 openssl=1.1.1j-1 passwd=1:4.8.1-1 patch=2.7.6-7 perl=5.32.1-3 perl-base=5.32.1-3 perl-modules-5.32=5.32.1-3 pkg-config=0.29.2-1 po-debconf=1.0.21+nmu1 python3=3.9.2-2 python3-minimal=3.9.2-2 python3.9=3.9.2-1 python3.9-minimal=3.9.2-1 readline-common=8.1-1 sed=4.7-1 sensible-utils=0.0.14 sysvinit-utils=2.96-6 tar=1.34+dfsg-1 tzdata=2021a-1 ucf=3.0043 util-linux=2.36.1-7 xz-utils=5.2.5-2 zlib1g=1:1.2.11.dfsg-2 zlib1g-dev=1:1.2.11.dfsg-2 --variant=apt --aptopt=Acquire::Check-Valid-Until "false" --aptopt=Acquire::http::Dl-Limit "1000"; --aptopt=Acquire::https::Dl-Limit "1000"; --aptopt=Acquire::Retries "5"; --aptopt=APT::Get::allow-downgrades "true"; --keyring=/usr/share/keyrings/ --essential-hook=chroot "$1" sh -c "apt-get --yes install fakeroot util-linux" --essential-hook=copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ --essential-hook=chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20210324T023822Z/ unstable main' >> /etc/apt/sources.list && apt-get update" --customize-hook=chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash --customize-hook=chroot "$1" env sh -c "apt-get source --only-source -d cp2k=8.1-9 && mkdir -p /build/cp2k-6PcaEs && dpkg-source --no-check -x /*.dsc /build/cp2k-6PcaEs/cp2k-8.1 && chown -R builduser:builduser /build/cp2k-6PcaEs" --customize-hook=chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/cp2k-6PcaEs/cp2k-8.1 && env DEB_BUILD_OPTIONS="parallel=4" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1616486572" dpkg-buildpackage -uc -a amd64 --build=any" --customize-hook=sync-out /build/cp2k-6PcaEs /tmp/cp2k-8.1-9tgc479lj bullseye /dev/null deb http://snapshot.notset.fr/archive/debian/20210324T023822Z unstable main I: automatically chosen mode: root I: chroot architecture amd64 is equal to the host's architecture I: automatically chosen format: tar I: using /tmp/mmdebstrap.XiiVQ6FskQ as tempdir I: running apt-get update... I: downloading packages with apt... I: extracting archives... I: installing essential packages... I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "apt-get --yes install fakeroot util-linux"' exec /tmp/mmdebstrap.XiiVQ6FskQ Reading package lists... Building dependency tree... util-linux is already the newest version (2.36.1-7). The following NEW packages will be installed: fakeroot libfakeroot 0 upgraded, 2 newly installed, 0 to remove and 0 not upgraded. Need to get 134 kB of archives. After this operation, 397 kB of additional disk space will be used. Get:1 http://snapshot.notset.fr/archive/debian/20210324T023822Z unstable/main amd64 libfakeroot amd64 1.25.3-1.1 [47.0 kB] Get:2 http://snapshot.notset.fr/archive/debian/20210324T023822Z unstable/main amd64 fakeroot amd64 1.25.3-1.1 [87.0 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 134 kB in 0s (868 kB/s) Selecting previously unselected package libfakeroot:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 4663 files and directories currently installed.) Preparing to unpack .../libfakeroot_1.25.3-1.1_amd64.deb ... Unpacking libfakeroot:amd64 (1.25.3-1.1) ... Selecting previously unselected package fakeroot. Preparing to unpack .../fakeroot_1.25.3-1.1_amd64.deb ... Unpacking fakeroot (1.25.3-1.1) ... Setting up libfakeroot:amd64 (1.25.3-1.1) ... Setting up fakeroot (1.25.3-1.1) ... update-alternatives: using /usr/bin/fakeroot-sysv to provide /usr/bin/fakeroot (fakeroot) in auto mode Processing triggers for libc-bin (2.31-10) ... I: running special hook: copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20210324T023822Z/ unstable main' >> /etc/apt/sources.list && apt-get update"' exec /tmp/mmdebstrap.XiiVQ6FskQ Get:1 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm InRelease [81.6 kB] Hit:2 http://snapshot.notset.fr/archive/debian/20210324T023822Z unstable InRelease Ign:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Ign:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Ign:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Get:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources [11.4 MB] Get:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages [11.1 MB] Fetched 22.6 MB in 20s (1151 kB/s) Reading package lists... I: installing remaining packages inside the chroot... I: running --customize-hook in shell: sh -c 'chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash' exec /tmp/mmdebstrap.XiiVQ6FskQ I: running --customize-hook in shell: sh -c 'chroot "$1" env sh -c "apt-get source --only-source -d cp2k=8.1-9 && mkdir -p /build/cp2k-6PcaEs && dpkg-source --no-check -x /*.dsc /build/cp2k-6PcaEs/cp2k-8.1 && chown -R builduser:builduser /build/cp2k-6PcaEs"' exec /tmp/mmdebstrap.XiiVQ6FskQ Reading package lists... NOTICE: 'cp2k' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/debichem-team/cp2k.git Please use: git clone https://salsa.debian.org/debichem-team/cp2k.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 79.3 MB of source archives. Get:1 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main cp2k 8.1-9 (dsc) [2218 B] Get:2 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main cp2k 8.1-9 (tar) [79.3 MB] Get:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main cp2k 8.1-9 (diff) [15.2 kB] Fetched 79.3 MB in 1min 4s (1237 kB/s) Download complete and in download only mode W: Download is performed unsandboxed as root as file 'cp2k_8.1-9.dsc' couldn't be accessed by user '_apt'. - pkgAcquire::Run (13: Permission denied) dpkg-source: info: extracting cp2k in /build/cp2k-6PcaEs/cp2k-8.1 dpkg-source: info: unpacking cp2k_8.1.orig.tar.bz2 dpkg-source: info: unpacking cp2k_8.1-9.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying makeflags.patch dpkg-source: info: applying testsuite_output.patch I: running --customize-hook in shell: sh -c 'chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/cp2k-6PcaEs/cp2k-8.1 && env DEB_BUILD_OPTIONS="parallel=4" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1616486572" dpkg-buildpackage -uc -a amd64 --build=any"' exec /tmp/mmdebstrap.XiiVQ6FskQ dpkg-buildpackage: info: source package cp2k dpkg-buildpackage: info: source version 8.1-9 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 debian/rules clean debian/rules:29: target 'clean' does not exist dh clean debian/rules override_dh_auto_clean make[1]: Entering directory '/build/cp2k-6PcaEs/cp2k-8.1' debian/rules:32: target 'override_dh_auto_clean' does not exist cd arch && ln -fs Linux-generic-gfortran.psmp \ Linux-`uname -m`-gfortran.psmp /usr/bin/make ARCH=Linux-`uname -m`-gfortran \ VERSION=psmp distclean make[2]: Entering directory '/build/cp2k-6PcaEs/cp2k-8.1' Discovering programs ... Makefile:408: target 'precommitclean' does not exist rm -rf /build/cp2k-6PcaEs/cp2k-8.1/obj/precommit Makefile:339: target 'fprettyclean' does not exist rm -rf /build/cp2k-6PcaEs/cp2k-8.1/obj/prettified Makefile:369: target 'doxifyclean' does not exist rm -rf /build/cp2k-6PcaEs/cp2k-8.1/obj/doxified Makefile:318: target 'testclean' does not exist rm -rf /build/cp2k-6PcaEs/cp2k-8.1/regtesting/Linux-x86_64-gfortran/psmp/TEST-* Makefile:322: update target 'testrealclean' due to: testclean rm -rf /build/cp2k-6PcaEs/cp2k-8.1/regtesting/Linux-x86_64-gfortran/psmp/LAST-* Makefile:329: update target 'distclean' due to: precommitclean fprettyclean doxifyclean testrealclean rm -rf /build/cp2k-6PcaEs/cp2k-8.1/exe /build/cp2k-6PcaEs/cp2k-8.1/obj /build/cp2k-6PcaEs/cp2k-8.1/lib /build/cp2k-6PcaEs/cp2k-8.1/regtesting make[2]: Leaving directory '/build/cp2k-6PcaEs/cp2k-8.1' cd tools/manual && rm -rf CP2K_INPUT && rm -f *.html *.xml rm -f arch/Linux-`uname -m`-gfortran.* rm -rf LAST* TEST* dh_auto_clean make -j4 distclean make[2]: Entering directory '/build/cp2k-6PcaEs/cp2k-8.1' Discovering programs ... Makefile:408: target 'precommitclean' does not exist rm -rf /build/cp2k-6PcaEs/cp2k-8.1/obj/precommit Makefile:339: target 'fprettyclean' does not exist rm -rf /build/cp2k-6PcaEs/cp2k-8.1/obj/prettified Makefile:369: target 'doxifyclean' does not exist rm -rf /build/cp2k-6PcaEs/cp2k-8.1/obj/doxified Makefile:318: target 'testclean' does not exist rm -rf /build/cp2k-6PcaEs/cp2k-8.1/regtesting/local/ssmp/TEST-* Makefile:322: update target 'testrealclean' due to: testclean rm -rf /build/cp2k-6PcaEs/cp2k-8.1/regtesting/local/ssmp/LAST-* Makefile:329: update target 'distclean' due to: precommitclean fprettyclean doxifyclean testrealclean rm -rf /build/cp2k-6PcaEs/cp2k-8.1/exe /build/cp2k-6PcaEs/cp2k-8.1/obj /build/cp2k-6PcaEs/cp2k-8.1/lib /build/cp2k-6PcaEs/cp2k-8.1/regtesting make[2]: Leaving directory '/build/cp2k-6PcaEs/cp2k-8.1' make[1]: Leaving directory '/build/cp2k-6PcaEs/cp2k-8.1' dh_clean debian/rules binary-arch debian/rules:29: target 'binary-arch' does not exist dh binary-arch dh_update_autotools_config -a dh_autoreconf -a dh_auto_configure -a debian/rules override_dh_auto_build make[1]: Entering directory '/build/cp2k-6PcaEs/cp2k-8.1' debian/rules:42: target 'override_dh_auto_build' does not exist cd arch && ln -fs Linux-generic-gfortran.psmp \ Linux-`uname -m`-gfortran.psmp /usr/bin/make ARCH=Linux-`uname -m`-gfortran \ VERSION=psmp PYTHON=python3 all make[2]: Entering directory '/build/cp2k-6PcaEs/cp2k-8.1' Discovering programs ... Makefile:121: target 'all' does not exist /usr/bin/make --no-print-directory -f /build/cp2k-6PcaEs/cp2k-8.1/Makefile psmp ORIG_TARGET=all /build/cp2k-6PcaEs/cp2k-8.1/Makefile:126: target 'psmp' does not exist /usr/bin/make --no-print-directory -f /build/cp2k-6PcaEs/cp2k-8.1/Makefile all ORIG_TARGET="" VERSION="" ONEVERSION=psmp /build/cp2k-6PcaEs/cp2k-8.1/Makefile:169: target 'dirs' does not exist mkdir -p /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp mkdir -p /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts mkdir -p /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp mkdir -p /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts mkdir -p /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran mkdir -p /build/cp2k-6PcaEs/cp2k-8.1/regtesting/Linux-x86_64-gfortran/psmp /build/cp2k-6PcaEs/cp2k-8.1/Makefile:448: update target 'makedep' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/lri_ks_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/kg_environment_types.F 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" Resolving dependencies for psmp ... /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/makedep.py /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep cp2k "lower" "normal" .a /build/cp2k-6PcaEs/cp2k-8.1/src ./lri_ks_methods.F ./kg_environment_types.F ./semi_empirical_int_utils.F ./grrm_utils.F ./input_cp2k_eip.F ./qs_diis_types.F ./qs_scf_initialization.F ./ewald_methods_tb.F ./hfx_pair_list_methods.F ./qs_fb_distribution_methods.F ./qs_scf_post_scf.F ./qs_core_energies.F ./manybody_tersoff.F ./mao_basis.F ./qmmm_gaussian_data.F ./qs_ot_types.F ./qs_sccs.F ./qs_update_s_mstruct.F ./qs_fb_atomic_halo_types.F ./qs_rho0_types.F ./preconditioner_apply.F ./fist_efield_methods.F ./qs_efield_local.F ./iterate_matrix.F ./core_ppnl.F ./dm_ls_scf_create.F ./constraint_vsite.F ./qs_rho_atom_types.F ./qs_rho_methods.F ./pw_env/pw_env_types.F ./pw_env/cp_spline_utils.F ./pw_env/rs_pw_interface.F ./pw_env/gaussian_gridlevels.F ./kpoint_io.F ./arnoldi/arnoldi_data_methods.F ./arnoldi/arnoldi_api.F ./arnoldi/arnoldi_geev.F ./arnoldi/arnoldi_methods.F ./arnoldi/arnoldi_types.F ./qs_loc_types.F ./qs_energy_init.F ./almo_scf_env_methods.F ./pao_potentials.F ./submatrix_types.F ./input_cp2k_free_energy.F ./cp_external_control.F ./qs_ks_apply_restraints.F ./xas_tdp_correction.F ./xas_tdp_utils.F ./pexsi_interface.F ./pair_potential_types.F ./qs_ks_qmmm_types.F ./semi_empirical_mpole_types.F ./qs_grid_atom.F ./swarm/swarm_master.F ./swarm/swarm_input.F ./swarm/glbopt_history.F ./swarm/swarm_message.F ./swarm/swarm_mpi.F ./swarm/glbopt_mincrawl.F ./swarm/glbopt_minhop.F ./swarm/glbopt_input.F ./swarm/swarm.F ./swarm/swarm_worker.F ./swarm/glbopt_worker.F ./swarm/glbopt_master.F ./qs_dftb_utils.F ./qs_efield_berry.F ./qs_linres_issc_utils.F ./eri_mme/eri_mme_integrate.F ./eri_mme/eri_mme_types.F ./eri_mme/eri_mme_error_control.F ./eri_mme/eri_mme_test.F ./eri_mme/eri_mme_gaussian.F ./eri_mme/eri_mme_util.F ./eri_mme/eri_mme_lattice_summation.F ./mp2.F ./taper_types.F ./cp2k_debug.F ./qs_kpp1_env_types.F ./pao_ml_gaussprocess.F ./input_cp2k_ec.F ./qs_ot.F ./qs_electric_field_gradient.F ./negf_green_methods.F ./qs_tddfpt_eigensolver.F ./stm_images.F ./preconditioner.F ./qmmm_gpw_forces.F ./lri_optimize_ri_basis.F ./ec_efield_local.F ./force_env_utils.F ./qs_tddfpt2_densities.F ./farming_types.F ./maxwell_solver_interface.F ./xtb_parameters.F ./qs_environment_methods.F ./se_fock_matrix_dbg.F ./topology.F ./topology_gromos.F ./manybody_eam.F ./cp_realspace_grid_init.F ./qs_linres_module.F ./qs_gcp_utils.F ./semi_empirical_int_arrays.F ./xtb_types.F ./emd/rt_propagation_methods.F ./emd/rt_propagator_init.F ./emd/rt_delta_pulse.F ./emd/rt_hfx_utils.F ./emd/rt_make_propagators.F ./emd/rt_propagation_output.F ./emd/rt_propagation_utils.F ./negf_alloc_types.F ./qs_o3c_methods.F ./rmsd.F ./hartree_local_types.F ./preconditioner_types.F ./semi_empirical_int_ana.F ./mixed_cdft_types.F ./qs_ks_atom.F ./input_cp2k_mm.F ./fp_types.F ./qs_ot_eigensolver.F ./auto_basis.F ./optimize_basis_utils.F ./ec_environment.F ./constraint_4x6.F ./hirshfeld_methods.F ./pao_ml_descriptor.F ./rt_propagation_types.F ./semi_empirical_int_num.F ./subcell_types.F ./qs_rho0_methods.F ./dm_ls_scf_curvy.F ./lri_compression.F ./minimax/minimax_exp_k15.F ./minimax/minimax_rpa.F ./minimax/minimax_exp.F ./minimax/minimax_exp_gw.F ./minimax/minimax_exp_k53.F ./aobasis/ai_operators_r12.F ./aobasis/ai_coulomb_test.F ./aobasis/ai_overlap_aabb.F ./aobasis/basis_set_container_types.F ./aobasis/ai_elec_field.F ./aobasis/ai_overlap.F ./aobasis/ai_os_rr.F ./aobasis/ai_verfc.F ./aobasis/ai_overlap3_debug.F ./aobasis/sto_ng.F ./aobasis/ao_util.F ./aobasis/ai_derivatives.F ./aobasis/ai_overlap3.F ./aobasis/ai_contraction_sphi.F ./aobasis/orbital_symbols.F ./aobasis/ai_moments.F ./aobasis/ai_coulomb.F ./aobasis/ai_eri_debug.F ./aobasis/soft_basis_set.F ./aobasis/ai_angmom.F ./aobasis/ai_kinetic.F ./aobasis/ai_overlap_debug.F ./aobasis/ai_oneelectron.F ./aobasis/orbital_pointers.F ./aobasis/ai_overlap_ppl.F ./aobasis/basis_set_types.F ./aobasis/orbital_transformation_matrices.F ./aobasis/aux_basis_set.F ./aobasis/ai_fermi_contact.F ./aobasis/ai_spin_orbit.F ./aobasis/ai_onecenter.F ./aobasis/ai_contraction.F ./aobasis/ai_operator_ra2m.F ./fist_neighbor_lists.F ./bse.F ./qs_scf_block_davidson.F ./molden_utils.F ./hfxbase/hfx_contraction_methods.F ./hfxbase/hfx_compression_core_methods.F ./hfxbase/hfx_contract_block.F ./atom_xc.F ./replica_methods.F ./optbas_opt_utils.F ./lri_integrals.F ./motion_utils.F ./nnp_model.F ./libint_wrapper.F ./input_optimize_input.F ./qs_dispersion_types.F ./cp_control_types.F ./mp2_optimize_ri_basis.F ./ewald_environment_types.F ./se_fock_matrix_exchange.F ./qs_kinetic.F ./pw_env_methods.F ./qs_scf_loop_utils.F ./ewald_pw_methods.F ./fist_neighbor_list_control.F ./atom_utils.F ./input_cp2k_global.F ./dft_plus_u.F ./molsym.F ./response_solver.F ./mao_types.F ./external_potential_methods.F ./rpa_kpoints.F ./virial_methods.F ./qs_fb_hash_table_types.F ./qs_dispersion_pairpot.F ./xas_tp_scf.F ./atom_optimization.F ./input_cp2k_colvar.F ./qmmmx_types.F ./cp_ddapc_types.F ./cell_methods.F ./qs_nl_hash_table_types.F ./qs_mo_methods.F ./qs_mo_io.F ./matrix_exp.F ./mixed_cdft_utils.F ./almo_scf_lbfgs_types.F ./qs_subsys_methods.F ./ewald_pw_types.F ./semi_empirical_int_debug.F ./qs_integrate_potential.F ./semi_empirical_parameters.F ./input_cp2k_atprop.F ./negf_env_types.F ./pair_potential.F ./transport_env_types.F ./library_tests.F ./optbas_fenv_manipulation.F ./qmmm_per_elpot.F ./start/libcp2k.F ./start/input_cp2k_motion.F ./start/cp2k.F ./start/cp2k_runs.F ./start/cp2k_shell.F ./start/input_cp2k.F ./xas_tdp_atom.F ./cp_eri_mme_interface.F ./qs_fb_env_methods.F ./fm/cp_fm_cholesky.F ./fm/cp_fm_pool_types.F ./fm/cp_fm_struct.F ./fm/cp_fm_diag_utils.F ./fm/cp_fm_vect.F ./fm/cp_blacs_calls.F ./fm/cp_fm_diag.F ./fm/cp_cfm_types.F ./fm/cp_fm_elpa.F ./fm/cp_linked_list_fm.F ./fm/cp_cfm_basic_linalg.F ./fm/cp_cfm_diag.F ./fm/cp_blacs_env.F ./fm/cp_fm_basic_linalg.F ./fm/cp_fm_types.F ./xas_restart.F ./qs_linres_types.F ./input_cp2k_dft.F ./replica_types.F ./mp2_ri_grad.F ./cryssym.F ./qs_linres_nmr_epr_common_utils.F ./almo_scf_diis_types.F ./pwdft_environment.F ./pao_param.F ./splines_methods.F ./metadynamics_types.F ./qs_o3c_types.F ./simpar_types.F ./qs_diis.F ./qs_ks_types.F ./qs_gspace_mixing.F ./admm_types.F ./block_p_types.F ./topology_generate_util.F ./spglib_f08.F ./qmmm_gpw_energy.F ./qmmm_gaussian_types.F ./mpiwrap/message_passing.F ./mao_optimizer.F ./negf_control_types.F ./qs_force_types.F ./qmmm_gaussian_input.F ./qmmm_types_low.F ./mm_collocate_potential.F ./optimize_basis.F ./molecular_states.F ./negf_integr_cc.F ./fist_force.F ./force_fields_ext.F ./atom.F ./minbas_methods.F ./almo_scf_qs.F ./manybody_gal.F ./pao_input.F ./input_constants.F ./mm_mapping_library.F ./pao_ml_neuralnet.F ./mp2_ri_gpw.F ./atom_upf.F ./qs_ks_utils.F ./qs_gapw_densities.F ./qs_ot_scf.F ./et_coupling.F ./force_fields_input.F ./se_fock_matrix_coulomb.F ./input_cp2k_negf.F ./qs_fb_com_tasks_types.F ./kg_correction.F ./pme.F ./input_cp2k_pwdft.F ./qs_integrate_potential_product.F ./qs_overlap.F ./hfx_communication.F ./se_core_core.F ./qs_dftb_coulomb.F ./topology_connectivity_util.F ./bsse.F ./qs_density_mixing_types.F ./kpoint_coulomb_2c.F ./qmmm_image_charge.F ./dm_ls_chebyshev.F ./qs_linres_current_utils.F ./qs_localization_methods.F ./optimize_embedding_potential.F ./beta_gamma_psi.F ./topology_coordinate_util.F ./semi_empirical_int3_utils.F ./qs_tddfpt2_operators.F ./input_cp2k_subsys.F ./input_restart_force_eval.F ./qs_p_env_types.F ./rpa_rse.F ./lri_optimize_ri_basis_types.F ./qs_condnum.F ./qs_linres_nmr_shift.F ./input_cp2k_tb.F ./force_env_methods.F ./atom_admm_methods.F ./input_restart_rng.F ./input_cp2k_hfx.F ./kg_environment.F ./qs_tddfpt2_eigensolver.F ./semi_empirical_expns3_methods.F ./pao_io.F ./lri_environment_methods.F ./extended_system_types.F ./environment.F ./qs_active_space_types.F ./xc/xc_xbr_pbe_lda_hole_t_c_lr.F ./xc/xc_derivative_types.F ./xc/xc_tpss.F ./xc/xc_lyp_adiabatic.F ./xc/xc_rho_cflags_types.F ./xc/xc_optx.F ./xc/xc_perdew_wang.F ./xc/xc_xalpha.F ./xc/xc_b97.F ./xc/xc_cs1.F ./xc/xc_xbecke88_lr_adiabatic.F ./xc/xc_derivatives.F ./xc/xc_libxc_wrap.F ./xc/xc_xbecke88.F ./xc/xc_xwpbe.F ./xc/xc_sr_lda.F ./xc/xc_atom.F ./xc/xc_perdew86.F ./xc/xc_rho_set_types.F ./xc/xc_xbecke_roussel.F ./xc/xc_vwn.F ./xc/xc_exchange_gga.F ./xc/xc_pade.F ./xc/xc_lyp.F ./xc/xc_libxc.F ./xc/xc_pbe.F ./xc/xc_thomas_fermi.F ./xc/xc_xlda_hole_t_c_lr.F ./xc/xc_xbeef.F ./xc/xc_hcth.F ./xc/xc_functionals_utilities.F ./xc/cp_linked_list_xc_deriv.F ./xc/xc.F ./xc/xc_xpbe_hole_t_c_lr.F ./xc/xc_ke_gga.F ./xc/xc_derivative_set_types.F ./xc/xc_tfw.F ./xc/xc_xbecke88_long_range.F ./xc/xc_derivative_desc.F ./xc/xc_perdew_zunger.F ./xc/xc_input_constants.F ./task_list_methods.F ./qs_fb_input.F ./negf_methods.F ./submatrix_dissection.F ./lri_environment_init.F ./qs_dos.F ./qs_period_efield_types.F ./shg_integrals_test.F ./qs_ks_methods.F ./distribution_2d_types.F ./wannier_states_types.F ./qs_collocate_density.F ./qs_fb_trial_fns_types.F ./qs_dispersion_utils.F ./pwdft_environment_types.F ./qs_dftb_types.F ./qs_vxc.F ./qs_outer_scf.F ./qs_scf_post_se.F ./eip_environment_types.F ./atom_electronic_structure.F ./qs_wf_history_methods.F ./mode_selective.F ./mp2_ri_grad_util.F ./mp2_ri_2c.F ./topology_xtl.F ./mixed_energy_types.F ./ewalds_multipole.F ./qs_loc_states.F ./qs_integral_utils.F ./qs_energy_window.F ./mp2_gpw.F ./efield_tb_methods.F ./qs_mom_types.F ./negf_vectors.F ./constraint_fxd.F ./qs_linres_epr_utils.F ./qs_tddfpt2_methods.F ./qs_dftb3_methods.F ./pair_potential_coulomb.F ./rel_control_types.F ./surface_dipole.F ./qs_loc_utils.F ./topology_pdb.F ./grid/grid_api.F ./input_cp2k_constraints.F ./pao_types.F ./fist_environment_types.F ./hfx_derivatives.F ./rpa_im_time.F ./constraint_clv.F ./qs_core_hamiltonian.F ./input_cp2k_kpoints.F ./hfx_compression_methods.F ./qs_external_potential.F ./domain_submatrix_types.F ./topology_psf.F ./input_cp2k_field.F ./atom_sgp.F ./pair_potential_util.F ./mp2_integrals.F ./qs_loc_dipole.F ./qs_resp.F ./mulliken.F ./constraint_util.F ./voronoi_interface.F ./cp_dbcsr_cp2k_link.F ./exclusion_types.F ./shg_int/generic_shg_integrals_init.F ./shg_int/s_contract_shg.F ./shg_int/constants_operator.F ./shg_int/generic_shg_integrals.F ./shg_int/construct_shg.F ./negf_atom_map.F ./input_cp2k_force_eval.F ./force_fields_all.F ./negf_integr_simpson.F ./cp_gemm_interface.F ./input_cp2k_xc.F ./fermi_utils.F ./pw/dielectric_types.F ./pw/dct.F ./pw/dgs.F ./pw/ps_wavelet_kernel.F ./pw/fft_tools.F ./pw/ps_wavelet_methods.F ./pw/dg_rho0_types.F ./pw/rs_methods.F ./pw/cube_utils.F ./pw/pw_methods.F ./pw/dg_types.F ./pw/mt_util.F ./pw/lazy.F ./pw/pw_types.F ./pw/realspace_grid_cube.F ./pw/ps_wavelet_types.F ./pw/pw_grid_info.F ./pw/pw_spline_utils.F ./pw/dielectric_methods.F ./pw/ps_wavelet_fft3d.F ./pw/pw_grids.F ./pw/realspace_grid_types.F ./pw/pw_grid_types.F ./pw/ps_wavelet_scaling_function.F ./pw/pw_pool_types.F ./pw/ps_implicit_types.F ./pw/pw_fpga.F ./pw/ps_wavelet_base.F ./pw/ps_implicit_methods.F ./pw/cp_linked_list_pw.F ./pw/dirichlet_bc_types.F ./pw/pw_poisson_methods.F ./pw/pw_cuda.F ./pw/fast.F ./pw/pw_poisson_types.F ./pw/ps_wavelet_util.F ./pw/fft/fft_kinds.F ./pw/fft/fftsg_lib.F ./pw/fft/fft_plan.F ./pw/fft/fft_lib.F ./pw/fft/fftw3_lib.F ./pw/fft/mltfftsg_tools.F ./pw/dirichlet_bc_methods.F ./pao_linpot_full.F ./constraint.F ./constraint_3x3.F ./fist_main.F ./input_cp2k_properties_dft.F ./qs_tddfpt2_properties.F ./rpa_communication.F ./qmmmx_update.F ./qs_cdft_scf_utils.F ./qmmmx_util.F ./optimize_input.F ./qs_gcp_method.F ./ewalds.F ./fist_pol_scf.F ./qs_commutators.F ./core_ppl.F ./qs_scf_wfn_mix.F ./hfx_admm_utils.F ./topology_cif.F ./mp2_gpw_method.F ./cp_ddapc_methods.F ./integration_grid_types.F ./mao_wfn_analysis.F ./qs_gamma2kp.F ./atom_basis.F ./negf_matrix_utils.F ./qs_environment_types.F ./dkh_main.F ./scf_control_types.F ./qs_moments.F ./mp2_ri_libint.F ./domain_submatrix_methods.F ./qs_cdft_types.F ./qs_cdft_methods.F ./ct_types.F ./qs_scf_methods.F ./embed_environment.F ./qs_mixing_utils.F ./colvar_methods.F ./xas_env_types.F ./outer_scf_control_types.F ./nnp_acsf.F ./metadyn_tools/graph_methods.F ./metadyn_tools/graph_utils.F ./metadyn_tools/graph.F ./xas_tdp_kernel.F ./eip_environment.F ./embed_main.F ./negf_integr_utils.F ./input_cp2k_mixed.F ./molecular_dipoles.F ./basis_set_output.F ./qs_rho_types.F ./kpoint_transitional.F ./qs_fb_env_types.F ./qs_scf_post_tb.F ./cp_realspace_grid_cube.F ./qs_gcp_types.F ./admm_utils.F ./lri_forces.F ./rpa_gw_kpoints.F ./gle_system_types.F ./semi_empirical_mpole_methods.F ./cp_symmetry.F ./qs_fb_atomic_matrix_methods.F ./pao_param_linpot.F ./input_cp2k_transport.F ./kg_tnadd_mat.F ./se_fock_matrix_integrals.F ./xas_tdp_types.F ./manybody_potential.F ./fist_energy_types.F ./qs_mo_types.F ./qs_cdft_utils.F ./qmmm_init.F ./semi_empirical_integrals.F ./cp_dbcsr_diag.F ./task_list_types.F ./qs_linres_epr_nablavks.F ./cp_control_utils.F ./mdctrl_types.F ./kpoint_types.F ./qs_linres_methods.F ./ri_environment_methods.F ./qs_elf_methods.F ./rpa_util.F ./force_env_types.F ./qs_linres_nmr_utils.F ./xas_tdp_integrals.F ./hfx_helpers.F ./input_cp2k_ls.F ./qs_mom_methods.F ./qs_environment.F ./qs_vxc_atom.F ./qs_ot_minimizer.F ./qs_band_structure.F ./mp2_grids.F ./rt_propagation_forces.F ./qs_active_space_methods.F ./mp2_eri.F ./atom_kind_orbitals.F ./qmmm_tb_coulomb.F ./base/machine.F ./base/kinds.F ./base/base_hooks.F ./base/machine_internal.F ./sirius_interface.F ./qs_loc_molecules.F ./qs_linres_epr_ownutils.F ./eip_silicon.F ./optimize_dmfet_potential.F ./qs_force.F ./cp_ddapc_forces.F ./semi_empirical_par_utils.F ./semi_empirical_utils.F ./energy_corrections.F ./topology_util.F ./preconditioner_makes.F ./qs_charge_mixing.F ./admm_dm_types.F ./qs_rho_atom_methods.F ./qmmm_force.F ./cp_ddapc.F ./negf_subgroup_types.F ./qs_linres_polar_utils.F ./libint_2c_3c.F ./semi_empirical_store_int_types.F ./xas_methods.F ./hfx_types.F ./pao_param_fock.F ./xas_control.F ./dm_ls_scf.F ./qmmm_se_energy.F ./population_analyses.F ./mixed_main.F ./qmmm_elpot.F ./qs_oce_types.F ./manybody_siepmann.F ./topology_types.F ./qs_scf_types.F ./f77_interface.F ./hfx_ri.F ./qs_block_davidson_types.F ./mscfg_methods.F ./mp2_cphf.F ./colvar_utils.F ./pilaenv_hack.F ./almo_scf.F ./qs_neighbor_list_types.F ./hirshfeld_types.F ./pao_optimizer.F ./fp_methods.F ./qs_linres_current.F ./ec_env_types.F ./qs_tddfpt2_utils.F ./qmmm_gaussian_init.F ./force_fields.F ./topology_cp2k.F ./qmmm_tb_methods.F ./efield_utils.F ./input_cp2k_restarts_util.F ./spme.F ./qs_wf_history_types.F ./global_types.F ./qs_kpp1_env_methods.F ./qs_scf_output.F ./qs_scf_lanczos.F ./farming_methods.F ./topology_amber.F ./qs_linres_atom_current.F ./mp2_setup.F ./pao_param_gth.F ./scine_utils.F ./qs_epr_hyp.F ./semi_empirical_int_gks.F ./optimize_basis_types.F ./semi_empirical_types.F ./qs_neighbor_lists.F ./qs_tddfpt_utils.F ./qs_tddfpt2_stda_utils.F ./nnp_environment.F ./qs_cdft_opt_types.F ./mol_force.F ./wannier90.F ./fist_efield_types.F ./input_cp2k_nnp.F ./cp_dbcsr_cholesky.F ./al_system_types.F ./xtb_matrices.F ./qs_matrix_pools.F ./fist_neighbor_list_types.F ./kpoint_methods.F ./atom_operators.F ./core_ae.F ./qs_oce_methods.F ./mixed_environment.F ./ls_matrix_exp.F ./qs_ks_qmmm_methods.F ./atomic_charges.F ./cp2k_info.F ./xtb_coulomb.F ./ipi_driver.F ./xc_adiabatic_utils.F ./debug_os_integrals.F ./qs_mo_occupation.F ./qs_tensors_types.F ./qs_elec_field.F ./moments_utils.F ./hfx_load_balance_methods.F ./motion/helium_types.F ./motion/dimer_utils.F ./motion/reftraj_util.F ./motion/md_run.F ./motion/pint_public.F ./motion/gopt_param_types.F ./motion/dimer_types.F ./motion/pint_methods.F ./motion/gopt_f_types.F ./motion/mdctrl_methods.F ./motion/pint_io.F ./motion/vibrational_analysis.F ./motion/cell_opt_utils.F ./motion/thermostat/barostat_types.F ./motion/thermostat/thermostat_methods.F ./motion/thermostat/al_system_init.F ./motion/thermostat/csvr_system_dynamics.F ./motion/thermostat/thermostat_mapping.F ./motion/thermostat/extended_system_init.F ./motion/thermostat/gle_system_dynamics.F ./motion/thermostat/extended_system_mapping.F ./motion/thermostat/thermostat_types.F ./motion/thermostat/csvr_system_init.F ./motion/thermostat/input_cp2k_barostats.F ./motion/thermostat/extended_system_dynamics.F ./motion/thermostat/al_system_dynamics.F ./motion/thermostat/thermostat_utils.F ./motion/thermostat/csvr_system_mapping.F ./motion/thermostat/al_system_mapping.F ./motion/thermostat/barostat_utils.F ./motion/bfgs_optimizer.F ./motion/helium_methods.F ./motion/pint_normalmode.F ./motion/cg_optimizer.F ./motion/shell_opt.F ./motion/neb_io.F ./motion/simpar_methods.F ./motion/md_ener_types.F ./motion/dumpdcd.F ./motion/neb_opt_utils.F ./motion/cg_utils.F ./motion/input_cp2k_md.F ./motion/integrator_utils.F ./motion/free_energy_methods.F ./motion/dimer_methods.F ./motion/md_conserved_quantities.F ./motion/glbopt_callback.F ./motion/neb_methods.F ./motion/geo_opt.F ./motion/pint_types.F ./motion/helium_worm.F ./motion/helium_common.F ./motion/md_environment_types.F ./motion/cell_opt.F ./motion/velocity_verlet_control.F ./motion/wiener_process.F ./motion/neb_types.F ./motion/md_energies.F ./motion/gopt_f_methods.F ./motion/gopt_f77_methods.F ./motion/pint_transformations.F ./motion/averages_types.F ./motion/cell_opt_types.F ./motion/xyz2dcd.F ./motion/helium_sampling.F ./motion/neb_utils.F ./motion/helium_io.F ./motion/cp_lbfgs_geo.F ./motion/md_util.F ./motion/cp_lbfgs_optimizer_gopt.F ./motion/cp_lbfgs.F ./motion/reftraj_types.F ./motion/rt_propagation.F ./motion/pint_piglet.F ./motion/thermal_region_utils.F ./motion/pint_pile.F ./motion/pint_staging.F ./motion/neb_md_utils.F ./motion/md_vel_utils.F ./motion/pint_gle.F ./motion/thermal_region_types.F ./motion/input_cp2k_vib.F ./motion/mc/mc_run.F ./motion/mc/tamc_run.F ./motion/mc/mc_coordinates.F ./motion/mc/mc_types.F ./motion/mc/mc_ensembles.F ./motion/mc/mc_moves.F ./motion/mc/mc_move_control.F ./motion/mc/mc_environment_types.F ./motion/mc/mc_control.F ./motion/mc/mc_ge_moves.F ./motion/mc/mc_misc.F ./motion/input_cp2k_restarts.F ./motion/pint_qtb.F ./motion/integrator.F ./motion/helium_interactions.F ./input_cp2k_poisson.F ./restraint.F ./transport.F ./cp_ddapc_util.F ./qs_operators_ao.F ./subsys/shell_potential_types.F ./subsys/damping_dipole_types.F ./subsys/atprop_types.F ./subsys/external_potential_types.F ./subsys/atomic_kind_types.F ./subsys/molecule_list_types.F ./subsys/colvar_types.F ./subsys/molecule_types.F ./subsys/atomic_kind_list_types.F ./subsys/multipole_types.F ./subsys/cp_subsys_types.F ./subsys/particle_types.F ./subsys/particle_list_types.F ./subsys/molecule_kind_list_types.F ./subsys/force_field_kind_types.F ./subsys/molecule_kind_types.F ./subsys/cell_types.F ./subsys/virial_types.F ./qs_tddfpt2_fhxc.F ./s_square_methods.F ./qs_tddfpt2_stda_types.F ./almo_scf_types.F ./qs_fb_matrix_data_types.F ./qmmm_topology_util.F ./qs_hash_table_functions.F ./qs_tddfpt_types.F ./rtp_admm_methods.F ./dm_ls_scf_qs.F ./qs_initial_guess.F ./qs_kind_types.F ./distribution_methods.F ./csvr_system_types.F ./rpa_main.F ./rpa_gw.F ./qs_rho0_ggrid.F ./linesearch.F ./input_cp2k_read.F ./metadynamics_utils.F ./mao_methods.F ./atoms_input.F ./qmmmx_force.F ./atom_output.F ./negf_green_cache.F ./qs_wannier90.F ./qmmm_links_methods.F ./qs_local_properties.F ./input_cp2k_distribution.F ./input_cp2k_motion_print.F ./paw_proj_set_types.F ./qmmm_se_forces.F ./admm_methods.F ./commutator_rpnl.F ./qs_spin_orbit.F ./mixed_cdft_methods.F ./rpa_gw_im_time_util.F ./qs_tensors.F ./hfx_libint_interface.F ./almo_scf_optimizer.F ./qs_linres_op.F ./cp_subsys_methods.F ./qs_scf_post_gpw.F ./xray_diffraction.F ./ewald_spline_util.F ./qs_tddfpt2_subgroups.F ./almo_scf_methods.F ./header.F ./hfx_energy_potential.F ./cp_dbcsr_operations.F ./mixed_environment_utils.F ./dm_ls_scf_types.F ./input_cp2k_almo.F ./input_cp2k_rsgrid.F ./xas_tdp_methods.F ./semi_empirical_expns3_types.F ./qs_energy_matrix_w.F ./qmmm_create.F ./csvr_system_utils.F ./qs_harmonics_atom.F ./qmmm_pw_grid.F ./qs_charges_types.F ./qs_tddfpt_module.F ./manybody_quip.F ./minbas_wfn_analysis.F ./qs_energy_utils.F ./rpa_axk.F ./et_coupling_proj.F ./pao_param_exp.F ./graphcon.F ./molecular_moments.F ./mp2_laplace.F ./nnp_environment_types.F ./atom_types.F ./kg_vertex_coloring_methods.F ./common/timings_report.F ./common/distribution_1d_types.F ./common/cp_para_env.F ./common/bessel_lib.F ./common/lapack.F ./common/cg_test.F ./common/mathlib.F ./common/routine_map.F ./common/kahan_sum.F ./common/cp_array_utils.F ./common/reference_manager.F ./common/list_routinereport.F ./common/string_table.F ./common/splines.F ./common/string_utilities.F ./common/timings.F ./common/bibliography.F ./common/cp_min_heap.F ./common/structure_factors.F ./common/periodic_table.F ./common/fparser.F ./common/mathconstants.F ./common/list_routinestat.F ./common/parallel_rng_types_unittest.F ./common/memory_utilities.F ./common/linear_systems.F ./common/physcon.F ./common/gamma.F ./common/cp_para_types.F ./common/cp_files.F ./common/t_c_g0.F ./common/whittaker.F ./common/cp_units.F ./common/list_callstackentry.F ./common/timings_base_type.F ./common/structure_factor_types.F ./common/print_messages.F ./common/cp_error_handling.F ./common/timings_types.F ./common/lebedev.F ./common/list.F ./common/util.F ./common/powell.F ./common/cp_result_methods.F ./common/cp_array_sort.F ./common/memory_utilities_unittest.F ./common/list_timerenv.F ./common/cuda_profiling.F ./common/cp_log_handling.F ./common/d3_poly.F ./common/cp_result_types.F ./common/eigenvalueproblems.F ./common/parallel_rng_types.F ./common/spherical_harmonics.F ./common/cp_iter_types.F ./common/t_sh_p_s_c.F ./common/callgraph.F ./input_cp2k_embed.F ./group_dist_types.F ./input_cp2k_mp2.F ./fist_intra_force.F ./pw_poisson_read_input.F ./pao_methods.F ./fist_nonbond_force.F ./pexsi_methods.F ./qs_pdos.F ./hfx_screening_methods.F ./qs_fermi_contact.F ./nnp_force.F ./input_cp2k_thermostats.F ./qs_interactions.F ./qs_subsys_types.F ./free_energy_types.F ./wannier_states.F ./atom_energy.F ./particle_methods.F ./localization_tb.F ./pexsi_types.F ./qs_local_rho_types.F ./uff_vdw_radii_table.F ./input_cp2k_loc.F ./pme_tools.F ./rpa_gw_ic.F ./qs_scf_csr_write.F ./qs_tddfpt2_restart.F ./qs_dftb_matrices.F ./se_fock_matrix.F ./mp2_direct_method.F ./input_cp2k_binary_restarts.F ./mscfg_types.F ./splines_types.F ./xtb_ehess.F ./tmc/tmc_analysis_types.F ./tmc/tmc_setup.F ./tmc/tmc_file_io.F ./tmc/tmc_moves.F ./tmc/tmc_tree_types.F ./tmc/tmc_tree_search.F ./tmc/input_cp2k_tmc.F ./tmc/tmc_tree_build.F ./tmc/tmc_calculations.F ./tmc/tmc_tree_acceptance.F ./tmc/tmc_stati.F ./tmc/tmc_master.F ./tmc/tmc_utils.F ./tmc/tmc_cancelation.F ./tmc/tmc_types.F ./tmc/tmc_messages.F ./tmc/tmc_move_types.F ./tmc/tmc_worker.F ./tmc/tmc_tree_references.F ./tmc/tmc_dot_tree.F ./tmc/tmc_move_handle.F ./tmc/tmc_analysis.F ./qmmmx_create.F ./qs_energy_types.F ./generic_os_integrals.F ./fist_environment.F ./et_coupling_types.F ./input/cp_parser_buffer_types.F ./input/cp_parser_methods.F ./input/input_enumeration_types.F ./input/cp_parser_status_types.F ./input/input_parsing.F ./input/cp_output_handling.F ./input/cp_parser_inpp_types.F ./input/input_val_types.F ./input/cp_linked_list_input.F ./input/cp_parser_inpp_methods.F ./input/input_section_types.F ./input/cp_parser_ilist_types.F ./input/cp_parser_types.F ./input/cp_parser_ilist_methods.F ./input/input_keyword_types.F ./topology_constraint_util.F ./qs_tddfpt2_types.F ./qs_integrate_potential_single.F ./input_cp2k_qmmm.F ./statistical_methods.F ./topology_multiple_unit_cell.F ./atom_grb.F ./mixed_environment_types.F ./se_core_matrix.F ./qs_loc_methods.F ./metadynamics.F ./qs_p_env_methods.F ./hfx_pw_methods.F ./qs_dispersion_nonloc.F ./qs_basis_gradient.F ./input_cp2k_external.F ./commutator_rkinetic.F ./preconditioner_solvers.F ./input_cp2k_resp.F ./qmmm_types.F ./xc_write_output.F ./sap_kind_types.F ./mp2_eri_gpw.F ./dm_ls_scf_methods.F ./ct_methods.F ./force_fields_util.F ./cp_dbcsr_output.F ./qmmm_util.F ./pao_linpot_rotinv.F ./topology_xyz.F ./qs_scf_diagonalization.F ./embed_types.F ./input_cp2k_check.F ./atom_fit.F ./force_field_types.F ./atom_pseudo.F ./qs_external_density.F ./dbcsrx/dbcsr_vector.F ./pao_ml.F ./qs_chargemol.F ./admm_dm_methods.F ./pao_main.F ./mp2_types.F ./qs_energy.F ./fist_nonbond_env_types.F ./qs_fb_filter_matrix_methods.F ./input_cp2k_atom.F ./qs_fb_buffer_types.F ./qs_scf.F ./xc_adiabatic_methods.F ./qs_dftb_parameters.F ./xc_pot_saop.F ./hartree_local_methods.F ./lri_environment_types.F ./qs_dftb_dispersion.F ./input_optimize_basis.F ./topology_input.F ./qmmm_ff_fist.F ./input_cp2k_neb.F ./start/libcp2k_unittest.c ./grid/hybrid/grid_collocate_hybrid.c ./grid/hybrid/grid_integrate_hybrid.c ./grid/ref/grid_ref_prepare_pab.c ./grid/ref/grid_ref_task_list.c ./grid/ref/grid_ref_integrate.c ./grid/ref/grid_ref_collocate.c ./grid/grid_replay.c ./grid/grid_unittest.c ./grid/grid_miniapp.c ./grid/common/grid_basis_set.c ./grid/common/grid_buffer.c ./grid/common/grid_sphere_cache.c ./grid/common/grid_library.c ./grid/cpu/grid_prepare_pab_dgemm.c ./grid/cpu/non_orthorombic_corrections.c ./grid/cpu/grid_integrate_dgemm.c ./grid/cpu/grid_context_cpu.c ./grid/cpu/coefficients.c ./grid/cpu/utils.c ./grid/cpu/grid_collocate_dgemm.c ./grid/cpu/tensor_local.c ./grid/cpu/collocation_integration.c ./grid/grid_task_list.c ./pw/fpga/fft_fpga.c ./pw/fpga/opencl_utils.c ./base/machine_cpuid.c ./sockets.c /build/cp2k-6PcaEs/cp2k-8.1/exts/Makefile.inc:16: target 'dbcsr' does not exist /usr/bin/make -C /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr -f .cp2k/Makefile \ INCLUDEMAKE=/build/cp2k-6PcaEs/cp2k-8.1/arch/Linux-x86_64-gfortran.psmp \ LIBDIR=/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr \ OBJDIR=/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr \ ACC="" \ ACCFLAGS="" .cp2k/Makefile:209: target 'dirs' does not exist mkdir -p /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr mkdir -p /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr .cp2k/Makefile:248: update target 'makedep' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_min_heap.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_files.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_lib.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_base_type.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_hooks.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_internal.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_kinds.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/cuda/dbcsr_cuda_profiling.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/hip/dbcsr_hipblas.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_init.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_timings.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F 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/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_tests.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/acc_bench_smm.c /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/acc_bench_trans.c /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dbcsr.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/acc.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/acc_libsmm.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libsmm_acc.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libsmm_acc_init.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/parameters_utils.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_transpose.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_tiny.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_largeDB2.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_largeDB1.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_medium.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_common.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/smm_acc_dnt_small.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libsmm_acc_benchmark.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/cuda/acc_cuda.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/cuda/acc_blas.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/cuda/acc_error.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/hip/acc_hip.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.h /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/work/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/libcusmm/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/kernels/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/libsmm_acc/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/cuda/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/hip/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/PACKAGE /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/PACKAGE dirs echo "Removing stale archives ... " Removing stale archives ... python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/check_archives.py ar /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr echo "Resolving dependencies ... " Resolving dependencies ... python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/makedep.py /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/all.dep dbcsr "lower" "normal" .a /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src ./work/dbcsr_work_operations.F ./dist/dbcsr_dist_util.F ./dist/dbcsr_dist_operations.F ./dist/dbcsr_dist_methods.F ./block/dbcsr_block_operations.F ./block/dbcsr_iterator_operations.F ./block/dbcsr_block_access.F ./block/dbcsr_index_operations.F ./tas/dbcsr_tas_types.F ./tas/dbcsr_tas_split.F ./tas/dbcsr_tas_base.F ./tas/dbcsr_tas_util.F ./tas/dbcsr_tas_test.F ./tas/dbcsr_tas_mm.F ./tas/dbcsr_tas_reshape_ops.F ./tas/dbcsr_tas_global.F ./tas/dbcsr_tas_io.F ./mm/dbcsr_mm_sched.F ./mm/dbcsr_mm_hostdrv.F ./mm/dbcsr_mm_dist_operations.F ./mm/dbcsr_acc_operations.F ./mm/dbcsr_mm_csr.F ./mm/dbcsr_mm.F ./mm/dbcsr_multiply_api.F ./mm/dbcsr_mm_3d.F ./mm/dbcsr_mm_accdrv.F ./mm/dbcsr_mm_common.F ./mm/dbcsr_mm_cannon.F ./mm/dbcsr_mm_multrec.F ./mm/dbcsr_mm_types.F ./utils/dbcsr_blas_operations.F ./utils/dbcsr_toollib.F ./utils/dbcsr_min_heap.F ./utils/dbcsr_string_utilities.F ./utils/dbcsr_array_sort.F ./utils/dbcsr_files.F ./utils/dbcsr_btree.F ./core/dbcsr_iter_types.F ./core/dbcsr_methods.F ./core/dbcsr_lib.F ./core/dbcsr_timings_report.F ./core/dbcsr_config.F ./core/dbcsr_error_handling.F ./core/dbcsr_print_messages.F ./core/dbcsr_list_callstackentry.F ./core/dbcsr_list_routinereport.F ./core/dbcsr_list_timerenv.F ./core/dbcsr_timings.F ./core/dbcsr_list_routinestat.F ./core/dbcsr_list.F ./core/dbcsr_types.F ./core/dbcsr_timings_types.F ./core/dbcsr_timings_base_type.F ./core/dbcsr_dict.F ./core/dbcsr_log_handling.F ./core/dbcsr_array_types.F ./dbcsr_api.F ./base/dbcsr_base_hooks.F ./base/dbcsr_machine_internal.F ./base/dbcsr_kinds.F ./base/dbcsr_machine.F ./acc/dbcsr_acc_devmem.F ./acc/dbcsr_acc_stream.F ./acc/dbcsr_acc_hostmem.F ./acc/dbcsr_acc_event.F ./acc/dbcsr_acc_device.F ./acc/cuda/dbcsr_cuda_profiling.F ./acc/hip/dbcsr_hipblas.F ./acc/dbcsr_acc_init.F ./acc/dbcsr_acc_timings.F ./mpi/dbcsr_mp_operations.F ./mpi/dbcsr_mp_methods.F ./mpi/dbcsr_mpiwrap.F ./data/dbcsr_data_methods_low.F ./data/dbcsr_data_methods.F ./data/dbcsr_data_types.F ./data/dbcsr_mem_methods.F ./data/dbcsr_ptr_util.F ./data/dbcsr_data_operations.F ./tensors/dbcsr_array_list_methods.F ./tensors/dbcsr_tensor_block.F ./tensors/dbcsr_tensor_test.F ./tensors/dbcsr_tensor_index.F ./tensors/dbcsr_allocate_wrap.F ./tensors/dbcsr_tensor_split.F ./tensors/dbcsr_tensor.F ./tensors/dbcsr_tensor_api.F ./tensors/dbcsr_tensor_types.F ./tensors/dbcsr_tensor_reshape.F ./tensors/dbcsr_tensor_io.F ./ops/dbcsr_tests.F ./ops/dbcsr_operations.F ./ops/dbcsr_io.F ./ops/dbcsr_transformations.F ./ops/dbcsr_test_methods.F ./ops/dbcsr_csr_conversions.F ./acc/acc_bench_smm.c ./acc/acc_bench_trans.c .cp2k/Makefile:206: update target 'libdbcsr' due to: dirs makedep /usr/bin/make --no-print-directory -C /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr -f /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a INCLUDE_DEPS=true DBCSRHOME=/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_kinds.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_kinds.F python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_kinds.F dbcsr_kinds.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_kinds.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_kinds.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_kinds.mod' due to: dbcsr_kinds.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_kinds.F true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_machine_internal.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_internal.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90 dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_internal.F dbcsr_machine_internal.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_machine_internal.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_machine_internal.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90:31:24: 31 | SUBROUTINE abort() BIND(C, name="abort") | 1 Warning: ‘abort’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90:60:8: 60 | FUNCTION kill(pid, sig) BIND(C, name="kill") RESULT(errno) | 1 Warning: ‘kill’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90:212:8: 212 | FUNCTION unlink(path) BIND(C, name="unlink") RESULT(errno) | 1 Warning: ‘unlink’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90:220:8: 220 | FUNCTION rename(src, dest) BIND(C, name="rename") RESULT(errno) | 1 Warning: ‘rename’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90:279:8: 279 | FUNCTION getcwd(buf, buflen) BIND(C, name="getcwd") RESULT(stat) | 1 Warning: ‘getcwd’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90:302:8: 302 | FUNCTION chdir(path) BIND(C, name="chdir") RESULT(errno) | 1 Warning: ‘chdir’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90:333:8: 333 | FUNCTION getuid() BIND(C, name="getuid") RESULT(uid) | 1 Warning: ‘getuid’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90:347:8: 347 | FUNCTION getpid() BIND(C, name="getpid") RESULT(pid) | 1 Warning: ‘getpid’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_machine_internal.mod' due to: dbcsr_machine_internal.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_internal.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine_posix.f90 dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_machine.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine_internal.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_machine.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_machine.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_machine.mod' due to: dbcsr_machine.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine_internal.mod dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_base_hooks.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_machine.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_base_hooks.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_base_hooks.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_base_hooks.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_base_hooks.mod' due to: dbcsr_base_hooks.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_hooks.F dbcsr_machine.mod dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_stream.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F dbcsr_acc_stream.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_stream.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_stream.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_stream.mod' due to: dbcsr_acc_stream.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_stream.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_event.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F dbcsr_acc_event.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_event.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_event.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_event.mod' due to: dbcsr_acc_event.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_event.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_devmem.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F dbcsr_acc_devmem.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_devmem.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_devmem.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_devmem.mod' due to: dbcsr_acc_devmem.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_devmem.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_acc_event.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F dbcsr_data_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_data_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_types.mod' due to: dbcsr_data_types.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_acc_event.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_array_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F dbcsr_array_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_array_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_array_types.mod' due to: dbcsr_array_types.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_array_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_btree.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.fypp python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.F dbcsr_btree.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_btree.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_btree.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_btree.mod' due to: dbcsr_btree.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_btree.fypp true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_data_types.mod dbcsr_array_types.mod dbcsr_btree.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_types.mod' due to: dbcsr_types.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_types.F dbcsr_data_types.mod dbcsr_array_types.mod dbcsr_btree.mod dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_hostmem.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F dbcsr_acc_hostmem.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_hostmem.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_hostmem.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_hostmem.mod' due to: dbcsr_acc_hostmem.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_hostmem.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mpiwrap.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.fypp dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F dbcsr_mpiwrap.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mpiwrap.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mpiwrap.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mpiwrap.mod' due to: dbcsr_mpiwrap.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.fypp dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_ptr_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_kinds.mod dbcsr_acc_hostmem.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_ptr_util.F dbcsr_ptr_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_ptr_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_ptr_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_ptr_util.mod' due to: dbcsr_ptr_util.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_ptr_util.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_kinds.mod dbcsr_acc_hostmem.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_methods_low.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_acc_event.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F dbcsr_data_methods_low.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_methods_low.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_data_methods_low.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_methods_low.mod' due to: dbcsr_data_methods_low.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods_low.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_acc_event.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mem_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_acc_stream.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_mem_methods.F dbcsr_mem_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mem_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mem_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mem_methods.mod' due to: dbcsr_mem_methods.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_mem_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_acc_stream.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_mem_methods.mod dbcsr_acc_event.mod dbcsr_ptr_util.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F dbcsr_data_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_data_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_methods.mod' due to: dbcsr_data_methods.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_mem_methods.mod dbcsr_acc_event.mod dbcsr_ptr_util.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_array_sort.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.fypp dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F dbcsr_array_sort.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_sort.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_array_sort.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_array_sort.mod' due to: dbcsr_array_sort.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_array_sort.fypp dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_toollib.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_sort.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F dbcsr_toollib.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_toollib.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_toollib.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_toollib.mod' due to: dbcsr_toollib.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_toollib.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_array_sort.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_btree.mod dbcsr_data_methods.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F dbcsr_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_methods.mod' due to: dbcsr_methods.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_btree.mod dbcsr_data_methods.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mp_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F dbcsr_mp_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mp_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mp_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mp_methods.mod' due to: dbcsr_mp_methods.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_mpiwrap.mod dbcsr_methods.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_min_heap.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_min_heap.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_min_heap.F dbcsr_min_heap.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_min_heap.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_min_heap.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_min_heap.mod' due to: dbcsr_min_heap.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_min_heap.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_device.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F dbcsr_acc_device.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_device.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_device.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_device.mod' due to: dbcsr_acc_device.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_device.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_config.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_acc_device.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F dbcsr_config.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_config.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_config.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_config.mod' due to: dbcsr_config.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_config.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_acc_device.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dist_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_min_heap.mod dbcsr_methods.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F dbcsr_dist_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dist_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_dist_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dist_methods.mod' due to: dbcsr_dist_methods.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_min_heap.mod dbcsr_methods.mod dbcsr_config.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dist_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F dbcsr_dist_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dist_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_dist_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dist_util.mod' due to: dbcsr_dist_util.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_util.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_block_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_ptr_util.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F dbcsr_block_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_block_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_block_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F:939:61: 939 | dst_sizes(1), dst_sizes(2)) | ^ Warning: ‘src_ub[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_block_operations.mod' due to: dbcsr_block_operations.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_ptr_util.mod dbcsr_data_methods_low.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_data_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods.mod dbcsr_dist_util.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_operations.F dbcsr_data_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_data_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_data_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_data_operations.mod' due to: dbcsr_data_operations.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr_data_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods.mod dbcsr_dist_util.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dist_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_min_heap.mod dbcsr_mp_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F dbcsr_dist_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dist_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_dist_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dist_operations.mod' due to: dbcsr_dist_operations.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dist/dbcsr_dist_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_min_heap.mod dbcsr_mp_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_index_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F dbcsr_index_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_index_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_index_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_index_operations.mod' due to: dbcsr_index_operations.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_index_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_config.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_iterator_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_data_methods.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F dbcsr_iterator_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_iterator_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_iterator_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_iterator_operations.mod' due to: dbcsr_iterator_operations.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_iterator_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_data_methods.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_string_utilities.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F dbcsr_string_utilities.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_string_utilities.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_string_utilities.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_string_utilities.mod' due to: dbcsr_string_utilities.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_string_utilities.F dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_work_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_btree.mod dbcsr_data_methods.mod dbcsr_mem_methods.mod dbcsr_ptr_util.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_toollib.mod dbcsr_string_utilities.mod dbcsr_methods.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/work/dbcsr_work_operations.F dbcsr_work_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_work_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/work/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_work_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mp_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods.mod dbcsr_ptr_util.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mp_operations.F dbcsr_mp_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mp_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mpi/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mp_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_init.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_init.F dbcsr_acc_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_timings.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_timings.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/dbcsr_acc_timings.F dbcsr_acc_timings.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_timings.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_timings.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_cuda_profiling.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/cuda/dbcsr_cuda_profiling.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/cuda/dbcsr_cuda_profiling.F dbcsr_cuda_profiling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_cuda_profiling.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/cuda/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_cuda_profiling.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_hipblas.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/hip/dbcsr_hipblas.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/hip/dbcsr_hipblas.F dbcsr_hipblas.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_hipblas.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/acc/hip/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_hipblas.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_iter_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_iter_types.F dbcsr_iter_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_iter_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_iter_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_iter_types.mod' due to: dbcsr_iter_types.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_files.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_files.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_files.F dbcsr_files.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_files.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_files.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_files.mod' due to: dbcsr_files.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_files.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_timings_base_type.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_base_type.F dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_base_type.F dbcsr_timings_base_type.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings_base_type.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_timings_base_type.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings_base_type.mod' due to: dbcsr_timings_base_type.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_base_type.F dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_dict.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F dbcsr_dict.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_dict.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_dict.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_dict.mod' due to: dbcsr_dict.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_dict.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_callstackentry.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F dbcsr_list_callstackentry.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_callstackentry.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_list_callstackentry.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_callstackentry.mod' due to: dbcsr_list_callstackentry.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_callstackentry.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_routinestat.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F dbcsr_list_routinestat.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_routinestat.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_list_routinestat.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_routinestat.mod' due to: dbcsr_list_routinestat.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinestat.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_timings_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_dict.mod dbcsr_list_callstackentry.mod dbcsr_list_routinestat.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_timings_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_timings_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings_types.mod' due to: dbcsr_timings_types.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_types.F dbcsr_dict.mod dbcsr_list_callstackentry.mod dbcsr_list_routinestat.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_timerenv.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F dbcsr_list_timerenv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_timerenv.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_list_timerenv.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_timerenv.mod' due to: dbcsr_list_timerenv.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_timerenv.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list_routinereport.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F dbcsr_list_routinereport.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list_routinereport.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_list_routinereport.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list_routinereport.mod' due to: dbcsr_list_routinereport.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list_routinereport.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_list.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_list_callstackentry.mod dbcsr_list_routinestat.mod dbcsr_list_timerenv.mod dbcsr_base_hooks.mod dbcsr_list_routinereport.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F dbcsr_list.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_list.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_list.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_list.mod' due to: dbcsr_list.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_base_type.mod dbcsr_list_callstackentry.mod dbcsr_list_routinestat.mod dbcsr_list_timerenv.mod dbcsr_base_hooks.mod dbcsr_list_routinereport.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_cuda_profiling.mod' due to: dbcsr_cuda_profiling.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_timings.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_dict.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_list.mod dbcsr_acc_devmem.mod dbcsr_cuda_profiling.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F dbcsr_timings.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_timings.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings.mod' due to: dbcsr_timings.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_dict.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_list.mod dbcsr_acc_devmem.mod dbcsr_cuda_profiling.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_log_handling.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_iter_types.mod dbcsr_files.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_string_utilities.mod dbcsr_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_log_handling.F dbcsr_log_handling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_log_handling.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_log_handling.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_log_handling.mod' due to: dbcsr_log_handling.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_log_handling.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_iter_types.mod dbcsr_files.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_string_utilities.mod dbcsr_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_timings_report.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_files.mod dbcsr_mpiwrap.mod dbcsr_dict.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_list_routinereport.mod dbcsr_toollib.mod dbcsr_list.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_report.F dbcsr_timings_report.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_timings_report.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_timings_report.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_timings_report.mod' due to: dbcsr_timings_report.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_timings_report.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_timings_types.mod dbcsr_timings_base_type.mod dbcsr_files.mod dbcsr_mpiwrap.mod dbcsr_dict.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_list_routinereport.mod dbcsr_toollib.mod dbcsr_list.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_work_operations.mod' due to: dbcsr_work_operations.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_blas_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F dbcsr_blas_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_blas_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_blas_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_blas_operations.mod' due to: dbcsr_blas_operations.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_blas_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_block_access.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_btree.mod dbcsr_data_methods.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F dbcsr_block_access.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_block_access.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_block_access.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_block_access.mod' due to: dbcsr_block_access.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/block/dbcsr_block_access.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_btree.mod dbcsr_data_methods.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_index_operations.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_config.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_ptr_util.mod dbcsr_blas_operations.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_block_operations.mod dbcsr_block_access.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_toollib.mod dbcsr_mpiwrap.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F dbcsr_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_operations.mod' due to: dbcsr_operations.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_ptr_util.mod dbcsr_blas_operations.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_block_operations.mod dbcsr_block_access.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_toollib.mod dbcsr_mpiwrap.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mp_operations.mod' due to: dbcsr_mp_operations.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_transformations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_block_operations.mod dbcsr_operations.mod dbcsr_block_access.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_mp_operations.mod dbcsr_data_methods.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F dbcsr_transformations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_transformations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_transformations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_transformations.mod' due to: dbcsr_transformations.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_transformations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_data_operations.mod dbcsr_block_operations.mod dbcsr_operations.mod dbcsr_block_access.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_mp_operations.mod dbcsr_data_methods.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_init.mod' due to: dbcsr_acc_init.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_dist_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_dist_operations.mod dbcsr_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F dbcsr_mm_dist_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_dist_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_dist_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_dist_operations.mod' due to: dbcsr_mm_dist_operations.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_dist_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mp_methods.mod dbcsr_dist_operations.mod dbcsr_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_types.F python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_types.F dbcsr_mm_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_types.mod' due to: dbcsr_mm_types.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_types.F true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_acc_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F dbcsr_acc_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_acc_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_acc_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_acc_operations.mod' due to: dbcsr_acc_operations.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_acc_operations.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_devmem.mod dbcsr_config.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_accdrv.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_data_methods.mod dbcsr_acc_stream.mod dbcsr_mem_methods.mod dbcsr_acc_event.mod dbcsr_acc_hostmem.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_acc_operations.mod dbcsr_acc_devmem.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F dbcsr_mm_accdrv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_accdrv.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_accdrv.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_accdrv.mod' due to: dbcsr_mm_accdrv.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_accdrv.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_data_methods.mod dbcsr_acc_stream.mod dbcsr_mem_methods.mod dbcsr_acc_event.mod dbcsr_acc_hostmem.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_acc_operations.mod dbcsr_acc_devmem.mod dbcsr_config.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_hostdrv.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F dbcsr_mm_hostdrv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_hostdrv.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_hostdrv.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_hostdrv.mod' due to: dbcsr_mm_hostdrv.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_hostdrv.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_data_methods.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_config.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_sched.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_data_methods.mod dbcsr_mm_accdrv.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mpiwrap.mod dbcsr_mm_hostdrv.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F dbcsr_mm_sched.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_sched.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_sched.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_sched.mod' due to: dbcsr_mm_sched.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_sched.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_data_methods.mod dbcsr_mm_accdrv.mod dbcsr_kinds.mod dbcsr_block_operations.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mpiwrap.mod dbcsr_mm_hostdrv.mod dbcsr_config.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_csr.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_data_methods.mod dbcsr_ptr_util.mod dbcsr_dist_util.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mm_sched.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F dbcsr_mm_csr.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_csr.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_csr.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_csr.mod' due to: dbcsr_mm_csr.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_csr.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/utils/dbcsr_hash_table_types.f90 dbcsr_mm_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_data_methods.mod dbcsr_ptr_util.mod dbcsr_dist_util.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mm_sched.mod dbcsr_config.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_multrec.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_mm_csr.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F dbcsr_mm_multrec.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_multrec.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_multrec.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_multrec.mod' due to: dbcsr_mm_multrec.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_multrec.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_mm_csr.mod dbcsr_config.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_io.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_data_methods.mod dbcsr_transformations.mod dbcsr_work_operations.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_mp_operations.mod dbcsr_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F dbcsr_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_io.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_io.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_io.mod' due to: dbcsr_io.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_io.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_data_methods.mod dbcsr_transformations.mod dbcsr_work_operations.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_mp_methods.mod dbcsr_mpiwrap.mod dbcsr_mp_operations.mod dbcsr_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_common.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_data_methods.mod dbcsr_acc_stream.mod dbcsr_acc_event.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_operations.mod dbcsr_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F dbcsr_mm_common.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_common.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_common.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_common.mod' due to: dbcsr_mm_common.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_common.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_data_methods.mod dbcsr_acc_stream.mod dbcsr_acc_event.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_mm_multrec.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_acc_operations.mod dbcsr_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_3d.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_mm_dist_operations.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mm_multrec.mod dbcsr_block_operations.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_mem_methods.mod dbcsr_acc_event.mod dbcsr_kinds.mod dbcsr_mm_common.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_mp_operations.mod dbcsr_data_methods.mod dbcsr_machine.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F dbcsr_mm_3d.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_3d.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_3d.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F:1890:60: 1890 | left_buffer_p => left_buffers(ileft_buffer_calc) | ^ Warning: ‘ileft_buffer_calc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F:1889:63: 1889 | right_buffer_p => right_buffers(iright_buffer_calc) | ^ Warning: ‘iright_buffer_calc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_3d.mod' due to: dbcsr_mm_3d.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_3d.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_mm_dist_operations.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mm_multrec.mod dbcsr_block_operations.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_mem_methods.mod dbcsr_acc_event.mod dbcsr_kinds.mod dbcsr_mm_common.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_mp_operations.mod dbcsr_data_methods.mod dbcsr_machine.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm_cannon.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_transformations.mod dbcsr_mm_dist_operations.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mm_multrec.mod dbcsr_block_operations.mod dbcsr_operations.mod dbcsr_io.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_mem_methods.mod dbcsr_acc_event.mod dbcsr_mm_common.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_mp_operations.mod dbcsr_data_methods.mod dbcsr_machine.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F dbcsr_mm_cannon.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm_cannon.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm_cannon.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm_cannon.mod' due to: dbcsr_mm_cannon.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm_cannon.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_array_types.mod dbcsr_transformations.mod dbcsr_mm_dist_operations.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mm_multrec.mod dbcsr_block_operations.mod dbcsr_operations.mod dbcsr_io.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_mem_methods.mod dbcsr_acc_event.mod dbcsr_mm_common.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_mp_operations.mod dbcsr_data_methods.mod dbcsr_machine.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_mm.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_transformations.mod dbcsr_acc_init.mod dbcsr_mm_dist_operations.mod dbcsr_acc_device.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mm_multrec.mod dbcsr_operations.mod dbcsr_string_utilities.mod dbcsr_io.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_mem_methods.mod dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_mm_common.mod dbcsr_mm_3d.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_mm_cannon.mod dbcsr_machine.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_mm_sched.mod dbcsr_mpiwrap.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F dbcsr_mm.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_mm.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_mm.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_mm.mod' due to: dbcsr_mm.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_mm.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_transformations.mod dbcsr_acc_init.mod dbcsr_mm_dist_operations.mod dbcsr_acc_device.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_mm_multrec.mod dbcsr_operations.mod dbcsr_string_utilities.mod dbcsr_io.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_mem_methods.mod dbcsr_acc_stream.mod dbcsr_kinds.mod dbcsr_mm_common.mod dbcsr_mm_3d.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_mm_cannon.mod dbcsr_machine.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_mm_sched.mod dbcsr_mpiwrap.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_print_messages.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F dbcsr_print_messages.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_print_messages.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_print_messages.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_print_messages.mod' due to: dbcsr_print_messages.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_print_messages.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_error_handling.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_log_handling.mod dbcsr_print_messages.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_error_handling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_error_handling.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_error_handling.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_error_handling.mod' due to: dbcsr_error_handling.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_error_handling.F dbcsr_log_handling.mod dbcsr_print_messages.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_lib.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_lib.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_log_handling.mod dbcsr_timings_report.mod dbcsr_mm.mod dbcsr_timings.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_base_hooks.mod dbcsr_error_handling.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_acc_device.mod dbcsr_config.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/dbcsr_lib.F dbcsr_lib.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_lib.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/core/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_lib.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_multiply_api.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods.mod dbcsr_mm.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/dbcsr_multiply_api.F dbcsr_multiply_api.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_multiply_api.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/mm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_multiply_api.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_test_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods.mod dbcsr_blas_operations.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_block_access.mod dbcsr_dist_operations.mod dbcsr_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_test_methods.F dbcsr_test_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_test_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_test_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_test_methods.mod' due to: dbcsr_test_methods.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_test_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods.mod dbcsr_blas_operations.mod dbcsr_ptr_util.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_block_operations.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_block_access.mod dbcsr_dist_operations.mod dbcsr_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_multiply_api.mod' due to: dbcsr_multiply_api.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tests.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_tests.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_data_methods.mod dbcsr_transformations.mod dbcsr_work_operations.mod dbcsr_test_methods.mod dbcsr_dist_util.mod dbcsr_multiply_api.mod dbcsr_kinds.mod dbcsr_machine.mod dbcsr_operations.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_io.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_dist_operations.mod dbcsr_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_tests.F dbcsr_tests.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tests.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tests.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_csr_conversions.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_data_methods.mod dbcsr_transformations.mod dbcsr_work_operations.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod dbcsr_block_access.mod dbcsr_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F dbcsr_csr_conversions.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_csr_conversions.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_csr_conversions.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F:862:49: 862 | csr_mat%dbcsr_mapping%dbcsr_row_blk_size = dbcsr_row_block_sizes(dbcsr_mat_nosym) | 1 Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/ops/dbcsr_csr_conversions.F:863:49: 863 | csr_mat%dbcsr_mapping%dbcsr_col_blk_size = dbcsr_col_block_sizes(dbcsr_mat_nosym) | 1 Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_global.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F dbcsr_tas_global.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_global.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_global.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_global.mod' due to: dbcsr_tas_global.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_global.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_types.F dbcsr_tas_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_types.mod' due to: dbcsr_tas_types.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F dbcsr_tas_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_util.mod' due to: dbcsr_tas_util.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_util.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_kinds.mod dbcsr_index_operations.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_mp_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_split.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_tas_types.mod dbcsr_tas_util.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mpiwrap.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F dbcsr_tas_split.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_split.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_split.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F:531:44: 531 | iproc = pcoord(1)*pdims(2) + pcoord(2) | ^ Warning: ‘pcoord[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F:531:44: Warning: ‘pcoord[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F:496:94: 496 | IF (PRESENT(iproc_group)) iproc_group = pcoord_group(1)*pdims_group(2) + pcoord_group(2) | ^ Warning: ‘pcoord_group[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_split.F:496:94: Warning: ‘pcoord_group[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_split.mod' due to: dbcsr_tas_split.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_base.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_base.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_tas_types.mod dbcsr_tas_util.mod dbcsr_data_methods.mod dbcsr_data_methods_low.mod dbcsr_work_operations.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_operations.mod dbcsr_dist_methods.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod dbcsr_block_access.mod dbcsr_methods.mod dbcsr_tas_split.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_base.F dbcsr_tas_base.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_base.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_base.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_base.mod' due to: dbcsr_tas_base.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_reshape_ops.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_tas_types.mod dbcsr_work_operations.mod dbcsr_operations.mod dbcsr_block_access.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_tas_util.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_data_methods_low.mod dbcsr_tas_base.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F dbcsr_tas_reshape_ops.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_reshape_ops.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_reshape_ops.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_reshape_ops.mod' due to: dbcsr_tas_reshape_ops.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_reshape_ops.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_tas_types.mod dbcsr_work_operations.mod dbcsr_operations.mod dbcsr_block_access.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_tas_util.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_data_methods_low.mod dbcsr_tas_base.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_io.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_types.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_tas_base.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_io.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_io.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_io.mod' due to: dbcsr_tas_io.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_io.F dbcsr_tas_types.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_tas_base.mod dbcsr_dist_methods.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_mm.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_tas_types.mod dbcsr_transformations.mod dbcsr_work_operations.mod dbcsr_operations.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_tas_util.mod dbcsr_tas_reshape_ops.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_multiply_api.mod dbcsr_tas_io.mod dbcsr_tas_base.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F dbcsr_tas_mm.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_mm.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_mm.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F:1457:128: 1457 | nsplit = INT(MIN(INT(numnodes, KIND=int_8), NINT(REAL(max_nze, real_8)/(REAL(min_nze, real_8)*s_opt_factor), KIND=int_8))) | ^ Warning: ‘min_nze’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F:1457:128: Warning: ‘max_nze’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F:1027:48: 1027 | nsplit_prv = INT((d1 - 1)/d2 + 1) | ^ Warning: ‘d2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F:1027:48: Warning: ‘d1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F:653:37: 653 | DEALLOCATE (matrix_a_rep) | ^ Warning: ‘matrix_a_rep’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F:612:37: 612 | DEALLOCATE (matrix_c_rep) | ^ Warning: ‘matrix_c_rep’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F:482:37: 482 | DEALLOCATE (matrix_b_rep) | ^ Warning: ‘matrix_b_rep’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_mm.mod' due to: dbcsr_tas_mm.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_mm.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_data_types.mod dbcsr_types.mod dbcsr_tas_types.mod dbcsr_transformations.mod dbcsr_work_operations.mod dbcsr_operations.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_tas_util.mod dbcsr_tas_reshape_ops.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_multiply_api.mod dbcsr_tas_io.mod dbcsr_tas_base.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tas_test.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_test.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_tas_types.mod dbcsr_transformations.mod dbcsr_blas_operations.mod dbcsr_work_operations.mod dbcsr_dist_util.mod dbcsr_operations.mod dbcsr_methods.mod dbcsr_tas_util.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_tas_mm.mod dbcsr_dist_methods.mod dbcsr_data_methods.mod dbcsr_multiply_api.mod dbcsr_tas_base.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/dbcsr_tas_test.F dbcsr_tas_test.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tas_test.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tas/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tas_test.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_csr_conversions.mod' due to: dbcsr_csr_conversions.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_lib.mod' due to: dbcsr_lib.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tests.mod' due to: dbcsr_tests.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_api.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/data/dbcsr.fypp /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 dbcsr_types.mod dbcsr_array_types.mod dbcsr_transformations.mod dbcsr_csr_conversions.mod dbcsr_lib.mod dbcsr_work_operations.mod dbcsr_test_methods.mod dbcsr_dist_util.mod dbcsr_operations.mod dbcsr_tests.mod dbcsr_string_utilities.mod dbcsr_io.mod dbcsr_block_access.mod dbcsr_dist_operations.mod dbcsr_methods.mod dbcsr_config.mod dbcsr_kinds.mod dbcsr_dist_methods.mod dbcsr_mp_methods.mod dbcsr_data_methods.mod dbcsr_multiply_api.mod dbcsr_base_hooks.mod dbcsr_iterator_operations.mod dbcsr_mpiwrap.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/dbcsr_api.F dbcsr_api.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_api.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_api.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_allocate_wrap.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F dbcsr_allocate_wrap.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_allocate_wrap.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_allocate_wrap.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_allocate_wrap.mod' due to: dbcsr_allocate_wrap.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_allocate_wrap.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_base_hooks.mod dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_index.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_allocate_wrap.mod dbcsr_base_hooks.mod dbcsr_kinds.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F dbcsr_tensor_index.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_index.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_index.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_index.mod' due to: dbcsr_tensor_index.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_index.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_allocate_wrap.mod dbcsr_base_hooks.mod dbcsr_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_array_list_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_base_hooks.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_array_list_methods.F dbcsr_array_list_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_array_list_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_array_list_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_array_list_methods.mod' due to: dbcsr_array_list_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_api.mod' due to: dbcsr_api.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_tas_base.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_operations.mod dbcsr_tas_split.mod dbcsr_toollib.mod dbcsr_base_hooks.mod dbcsr_tas_mm.mod dbcsr_array_list_methods.mod dbcsr_api.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F dbcsr_tensor_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_types.mod' due to: dbcsr_tensor_types.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_types.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_data_types.mod dbcsr_tas_types.mod dbcsr_mpiwrap.mod dbcsr_tas_global.mod dbcsr_kinds.mod dbcsr_tas_base.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_operations.mod dbcsr_tas_split.mod dbcsr_toollib.mod dbcsr_base_hooks.mod dbcsr_tas_mm.mod dbcsr_array_list_methods.mod dbcsr_api.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_block.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tas_types.mod dbcsr_tensor_types.mod dbcsr_kinds.mod dbcsr_tas_base.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_dist_operations.mod dbcsr_array_list_methods.mod dbcsr_api.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_block.F dbcsr_tensor_block.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_block.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_block.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_block.mod' due to: dbcsr_tensor_block.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_io.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_tas_io.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_tensor_block.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F dbcsr_tensor_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_io.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_io.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_io.mod' due to: dbcsr_tensor_io.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_io.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_tas_io.mod dbcsr_kinds.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_tensor_block.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_split.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_kinds.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_base_hooks.mod dbcsr_tensor_block.mod dbcsr_array_list_methods.mod dbcsr_api.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F dbcsr_tensor_split.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_split.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_split.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_split.mod' due to: dbcsr_tensor_split.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_split.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_kinds.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_base_hooks.mod dbcsr_tensor_block.mod dbcsr_array_list_methods.mod dbcsr_api.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_reshape.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_kinds.mod dbcsr_tas_base.mod dbcsr_allocate_wrap.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_tensor_block.mod dbcsr_api.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F dbcsr_tensor_reshape.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_reshape.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_reshape.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_reshape.mod' due to: dbcsr_tensor_reshape.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_reshape.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_tensor_types.mod dbcsr_kinds.mod dbcsr_tas_base.mod dbcsr_allocate_wrap.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_tensor_block.mod dbcsr_api.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_data_types.mod dbcsr_tensor_types.mod dbcsr_tas_types.mod dbcsr_tensor_split.mod dbcsr_tensor_index.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod dbcsr_dist_operations.mod dbcsr_tensor_io.mod dbcsr_kinds.mod dbcsr_tas_mm.mod dbcsr_tensor_reshape.mod dbcsr_tensor_block.mod dbcsr_api.mod dbcsr_tas_base.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F dbcsr_tensor.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F:1041:24: 1041 | IF (new_3 .AND. do_write_3) CALL dbcsr_t_write_tensor_info(tensor_3, unit_nr_prv, full_info=log_verbose) | ^ Warning: ‘do_write_3’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F:981:88: 981 | CALL mp_environ(tensor_large%pgrid%mp_comm_2d, 2, pdims_2d, pcoord_2d, periods_2d) | ^ Warning: ‘tensor_large’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor.mod' due to: dbcsr_tensor.o /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_data_types.mod dbcsr_tensor_types.mod dbcsr_tas_types.mod dbcsr_tensor_split.mod dbcsr_tensor_index.mod dbcsr_array_list_methods.mod dbcsr_allocate_wrap.mod dbcsr_dist_operations.mod dbcsr_tensor_io.mod dbcsr_kinds.mod dbcsr_tas_mm.mod dbcsr_tensor_reshape.mod dbcsr_tensor_block.mod dbcsr_api.mod dbcsr_tas_base.mod dbcsr_base_hooks.mod dbcsr_toollib.mod dbcsr_mpiwrap.mod dbcsr_tas_split.mod true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tas_test.mod' due to: dbcsr_tas_test.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_test.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/base/dbcsr_base_uses.f90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor.fypp dbcsr_data_types.mod dbcsr_tensor_types.mod dbcsr_tensor_io.mod dbcsr_blas_operations.mod dbcsr_tensor.mod dbcsr_tas_test.mod dbcsr_kinds.mod dbcsr_tas_base.mod dbcsr_allocate_wrap.mod dbcsr_tensor_index.mod dbcsr_base_hooks.mod dbcsr_mpiwrap.mod dbcsr_tensor_block.mod dbcsr_api.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F dbcsr_tensor_test.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_test.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_test.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F:103:18: 103 | IF (.NOT. blocks_equal(blk_data1, blk_data2)) THEN | ^ Warning: ‘__result_blocks_equal’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_test.F:113:3: 113 | PURE FUNCTION blocks_equal(block1, block2) | ^ note: ‘__result_blocks_equal’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:284: update target 'dbcsr_tensor_test.mod' due to: dbcsr_tensor_test.o true /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:280: update target 'dbcsr_tensor_api.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F dbcsr_tensor_types.mod dbcsr_tensor_io.mod dbcsr_tensor.mod dbcsr_tensor_split.mod dbcsr_tensor_test.mod dbcsr_tensor_index.mod dbcsr_tensor_block.mod python3 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/dbcsr_tensor_api.F dbcsr_tensor_api.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__SHORT_FILE__="\"dbcsr_tensor_api.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src/tensors/' -I'/build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/src' dbcsr_tensor_api.F90 /build/cp2k-6PcaEs/cp2k-8.1/exts/dbcsr/.cp2k/Makefile:329: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a' due to: dbcsr_work_operations.o dbcsr_base_hooks.o dbcsr_machine_internal.o dbcsr_kinds.o dbcsr_machine.o dbcsr_dist_util.o dbcsr_dist_operations.o dbcsr_dist_methods.o dbcsr_mp_operations.o dbcsr_mp_methods.o dbcsr_mpiwrap.o dbcsr_data_methods_low.o dbcsr_data_methods.o dbcsr_data_types.o dbcsr_mem_methods.o dbcsr_ptr_util.o dbcsr_data_operations.o dbcsr_acc_devmem.o dbcsr_acc_stream.o dbcsr_acc_hostmem.o dbcsr_acc_event.o dbcsr_acc_device.o dbcsr_acc_init.o dbcsr_acc_timings.o dbcsr_cuda_profiling.o dbcsr_hipblas.o dbcsr_iter_types.o dbcsr_methods.o dbcsr_lib.o dbcsr_timings_report.o dbcsr_config.o dbcsr_error_handling.o dbcsr_print_messages.o dbcsr_list_callstackentry.o dbcsr_list_routinereport.o dbcsr_list_timerenv.o dbcsr_timings.o dbcsr_list_routinestat.o dbcsr_list.o dbcsr_types.o dbcsr_timings_types.o dbcsr_timings_base_type.o dbcsr_dict.o dbcsr_log_handling.o dbcsr_array_types.o dbcsr_mm_sched.o dbcsr_mm_hostdrv.o dbcsr_mm_dist_operations.o dbcsr_acc_operations.o dbcsr_mm_csr.o dbcsr_mm.o dbcsr_multiply_api.o dbcsr_mm_3d.o dbcsr_mm_accdrv.o dbcsr_mm_common.o dbcsr_mm_cannon.o dbcsr_mm_multrec.o dbcsr_mm_types.o dbcsr_block_operations.o dbcsr_iterator_operations.o dbcsr_block_access.o dbcsr_index_operations.o dbcsr_blas_operations.o dbcsr_toollib.o dbcsr_min_heap.o dbcsr_string_utilities.o dbcsr_array_sort.o dbcsr_files.o dbcsr_btree.o dbcsr_tests.o dbcsr_operations.o dbcsr_io.o dbcsr_transformations.o dbcsr_test_methods.o dbcsr_csr_conversions.o dbcsr_tas_types.o dbcsr_tas_split.o dbcsr_tas_base.o dbcsr_tas_util.o dbcsr_tas_test.o dbcsr_tas_mm.o dbcsr_tas_reshape_ops.o dbcsr_tas_global.o dbcsr_tas_io.o dbcsr_api.o dbcsr_array_list_methods.o dbcsr_tensor_block.o dbcsr_tensor_test.o dbcsr_tensor_index.o dbcsr_allocate_wrap.o dbcsr_tensor_split.o dbcsr_tensor.o dbcsr_tensor_api.o dbcsr_tensor_types.o dbcsr_tensor_reshape.o dbcsr_tensor_io.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a dbcsr_work_operations.o dbcsr_base_hooks.o dbcsr_machine_internal.o dbcsr_kinds.o dbcsr_machine.o dbcsr_dist_util.o dbcsr_dist_operations.o dbcsr_dist_methods.o dbcsr_mp_operations.o dbcsr_mp_methods.o dbcsr_mpiwrap.o dbcsr_data_methods_low.o dbcsr_data_methods.o dbcsr_data_types.o dbcsr_mem_methods.o dbcsr_ptr_util.o dbcsr_data_operations.o dbcsr_acc_devmem.o dbcsr_acc_stream.o dbcsr_acc_hostmem.o dbcsr_acc_event.o dbcsr_acc_device.o dbcsr_acc_init.o dbcsr_acc_timings.o dbcsr_cuda_profiling.o dbcsr_hipblas.o dbcsr_iter_types.o dbcsr_methods.o dbcsr_lib.o dbcsr_timings_report.o dbcsr_config.o dbcsr_error_handling.o dbcsr_print_messages.o dbcsr_list_callstackentry.o dbcsr_list_routinereport.o dbcsr_list_timerenv.o dbcsr_timings.o dbcsr_list_routinestat.o dbcsr_list.o dbcsr_types.o dbcsr_timings_types.o dbcsr_timings_base_type.o dbcsr_dict.o dbcsr_log_handling.o dbcsr_array_types.o dbcsr_mm_sched.o dbcsr_mm_hostdrv.o dbcsr_mm_dist_operations.o dbcsr_acc_operations.o dbcsr_mm_csr.o dbcsr_mm.o dbcsr_multiply_api.o dbcsr_mm_3d.o dbcsr_mm_accdrv.o dbcsr_mm_common.o dbcsr_mm_cannon.o dbcsr_mm_multrec.o dbcsr_mm_types.o dbcsr_block_operations.o dbcsr_iterator_operations.o dbcsr_block_access.o dbcsr_index_operations.o dbcsr_blas_operations.o dbcsr_toollib.o dbcsr_min_heap.o dbcsr_string_utilities.o dbcsr_array_sort.o dbcsr_files.o dbcsr_btree.o dbcsr_tests.o dbcsr_operations.o dbcsr_io.o dbcsr_transformations.o dbcsr_test_methods.o dbcsr_csr_conversions.o dbcsr_tas_types.o dbcsr_tas_split.o dbcsr_tas_base.o dbcsr_tas_util.o dbcsr_tas_test.o dbcsr_tas_mm.o dbcsr_tas_reshape_ops.o dbcsr_tas_global.o dbcsr_tas_io.o dbcsr_api.o dbcsr_array_list_methods.o dbcsr_tensor_block.o dbcsr_tensor_test.o dbcsr_tensor_index.o dbcsr_allocate_wrap.o dbcsr_tensor_split.o dbcsr_tensor.o dbcsr_tensor_api.o dbcsr_tensor_types.o dbcsr_tensor_reshape.o dbcsr_tensor_io.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:144: update target 'all' due to: makedep /usr/bin/make --no-print-directory -C /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp -f /build/cp2k-6PcaEs/cp2k-8.1/Makefile all INCLUDE_DEPS=true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kinds.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/base/kinds.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/base/kinds.F kinds.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/base/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kinds.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kinds.mod' due to: kinds.o /build/cp2k-6PcaEs/cp2k-8.1/src/base/kinds.F true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'machine_internal.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_internal.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_posix.f90 kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_internal.F machine_internal.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine_internal.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/base/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' machine_internal.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_posix.f90:33:24: 33 | SUBROUTINE abort() BIND(C, name="abort") | 1 Warning: ‘abort’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_posix.f90:65:8: 65 | FUNCTION kill(pid, sig) BIND(C, name="kill") RESULT(errno) | 1 Warning: ‘kill’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_posix.f90:237:8: 237 | FUNCTION unlink(path) BIND(C, name="unlink") RESULT(errno) | 1 Warning: ‘unlink’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_posix.f90:245:8: 245 | FUNCTION rename(src, dest) BIND(C, name="rename") RESULT(errno) | 1 Warning: ‘rename’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_posix.f90:315:8: 315 | FUNCTION getcwd(buf, buflen) BIND(C, name="getcwd") RESULT(stat) | 1 Warning: ‘getcwd’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_posix.f90:342:8: 342 | FUNCTION chdir(path) BIND(C, name="chdir") RESULT(errno) | 1 Warning: ‘chdir’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_posix.f90:382:8: 382 | FUNCTION getpid() BIND(C, name="getpid") RESULT(pid) | 1 Warning: ‘getpid’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'machine_internal.mod' due to: machine_internal.o /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_internal.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_posix.f90 kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'machine.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_cpuid.h machine_internal.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine.F machine.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/base/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' machine.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'machine.mod' due to: machine.o /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_cpuid.h machine_internal.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'base_hooks.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_hooks.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod machine.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_hooks.F base_hooks.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/base/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' base_hooks.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'base_hooks.mod' due to: base_hooks.o /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_hooks.F machine.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'memory_utilities.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/memory_utilities.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/memory_utilities.F memory_utilities.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' memory_utilities.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'memory_utilities.mod' due to: memory_utilities.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/memory_utilities.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'memory_utilities_unittest.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/memory_utilities_unittest.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a kinds.mod memory_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/memory_utilities_unittest.F memory_utilities_unittest.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' memory_utilities_unittest.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'timings_base_type.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings_base_type.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings_base_type.F timings_base_type.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' timings_base_type.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'timings_base_type.mod' due to: timings_base_type.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings_base_type.F kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'list_callstackentry.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_callstackentry.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_callstackentry.F list_callstackentry.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' list_callstackentry.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'list_callstackentry.mod' due to: list_callstackentry.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_callstackentry.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'list_routinestat.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_routinestat.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_routinestat.F list_routinestat.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' list_routinestat.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'list_routinestat.mod' due to: list_routinestat.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_routinestat.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'callgraph.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/callgraph.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/hash_map.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/callgraph.F callgraph.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' callgraph.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/callgraph.F:17:0: 17 | #:call hash_map(prefix='callgraph', & | Warning: ‘callgraph_isready’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/callgraph.F:17:24: 17 | #:call hash_map(prefix='callgraph', & | ^ Warning: ‘callgraph_del’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/callgraph.F:17:27: 17 | #:call hash_map(prefix='callgraph', & | ^ Warning: ‘callgraph_update’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/callgraph.F:17:26: 17 | #:call hash_map(prefix='callgraph', & | ^ Warning: ‘value’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/callgraph.F:17:66: 17 | #:call hash_map(prefix='callgraph', & | ^ note: ‘value’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'callgraph.mod' due to: callgraph.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/callgraph.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/hash_map.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'routine_map.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/routine_map.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/hash_map.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/routine_map.F routine_map.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' routine_map.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/routine_map.F:16:0: 16 | #:call hash_map(prefix='routine_map', & | Warning: ‘routine_map_isready’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/routine_map.F:16:26: 16 | #:call hash_map(prefix='routine_map', & | ^ Warning: ‘routine_map_del’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/routine_map.F:16:29: 16 | #:call hash_map(prefix='routine_map', & | ^ Warning: ‘routine_map_update’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/routine_map.F:16:28: 16 | #:call hash_map(prefix='routine_map', & | ^ Warning: ‘value’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/routine_map.F:16:68: 16 | #:call hash_map(prefix='routine_map', & | ^ note: ‘value’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'routine_map.mod' due to: routine_map.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/routine_map.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/hash_map.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'timings_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod list_callstackentry.mod list_routinestat.mod callgraph.mod routine_map.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings_types.F timings_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' timings_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'timings_types.mod' due to: timings_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings_types.F list_callstackentry.mod list_routinestat.mod callgraph.mod routine_map.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_para_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_para_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_para_types.F cp_para_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_para_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_para_types.mod' due to: cp_para_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_para_types.F true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'message_passing.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.F message_passing.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:18:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' message_passing.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.F:3358:33: 3358 | SUBROUTINE mp_file_read_at_chv(fh, offset, msg, msglen) | ^ Warning: ‘mp_file_read_at_chv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.F:3386:32: 3386 | SUBROUTINE mp_file_read_at_ch(fh, offset, msg) | ^ Warning: ‘mp_file_read_at_ch’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.F:3595:28: 3595 | SUBROUTINE mp_type_free_v(type_descriptors) | ^ Warning: ‘mp_type_free_v’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1410:22: 1410 | SUBROUTINE mp_prod_${nametype1}$ (msg, gid) | ^ Warning: ‘mp_prod_i’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1442:26: 1442 | SUBROUTINE mp_scatter_${nametype1}$v(msg_scatter, msg, root, gid) | ^ Warning: ‘mp_scatter_iv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1785:27: 1785 | SUBROUTINE mp_igatherv_${nametype1}$v(sendbuf, sendcount, recvbuf, recvcounts, displs, root, comm, request) | ^ Warning: ‘mp_igatherv_iv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:2554:30: 2554 | SUBROUTINE mp_sum_scatter_${nametype1}$v(msgout, msgin, rcount, gid) | ^ Warning: ‘mp_sum_scatter_iv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3526:2: 3526 | FUNCTION mp_type_indexed_make_${nametype1}$ (count, lengths, displs) & | ^ Warning: ‘mp_type_indexed_make_i’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3755:31: 3755 | SUBROUTINE mp_file_read_at_${nametype1}$v(fh, offset, msg, msglen) | ^ Warning: ‘mp_file_read_at_iv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3784:30: 3784 | SUBROUTINE mp_file_read_at_${nametype1}$ (fh, offset, msg) | ^ Warning: ‘mp_file_read_at_i’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1410:22: 1410 | SUBROUTINE mp_prod_${nametype1}$ (msg, gid) | ^ Warning: ‘mp_prod_l’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1442:26: 1442 | SUBROUTINE mp_scatter_${nametype1}$v(msg_scatter, msg, root, gid) | ^ Warning: ‘mp_scatter_lv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1785:27: 1785 | SUBROUTINE mp_igatherv_${nametype1}$v(sendbuf, sendcount, recvbuf, recvcounts, displs, root, comm, request) | ^ Warning: ‘mp_igatherv_lv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:2554:30: 2554 | SUBROUTINE mp_sum_scatter_${nametype1}$v(msgout, msgin, rcount, gid) | ^ Warning: ‘mp_sum_scatter_lv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3526:2: 3526 | FUNCTION mp_type_indexed_make_${nametype1}$ (count, lengths, displs) & | ^ Warning: ‘mp_type_indexed_make_l’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3755:31: 3755 | SUBROUTINE mp_file_read_at_${nametype1}$v(fh, offset, msg, msglen) | ^ Warning: ‘mp_file_read_at_lv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3784:30: 3784 | SUBROUTINE mp_file_read_at_${nametype1}$ (fh, offset, msg) | ^ Warning: ‘mp_file_read_at_l’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1442:26: 1442 | SUBROUTINE mp_scatter_${nametype1}$v(msg_scatter, msg, root, gid) | ^ Warning: ‘mp_scatter_dv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1785:27: 1785 | SUBROUTINE mp_igatherv_${nametype1}$v(sendbuf, sendcount, recvbuf, recvcounts, displs, root, comm, request) | ^ Warning: ‘mp_igatherv_dv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:2554:30: 2554 | SUBROUTINE mp_sum_scatter_${nametype1}$v(msgout, msgin, rcount, gid) | ^ Warning: ‘mp_sum_scatter_dv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3755:31: 3755 | SUBROUTINE mp_file_read_at_${nametype1}$v(fh, offset, msg, msglen) | ^ Warning: ‘mp_file_read_at_dv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3784:30: 3784 | SUBROUTINE mp_file_read_at_${nametype1}$ (fh, offset, msg) | ^ Warning: ‘mp_file_read_at_d’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1442:26: 1442 | SUBROUTINE mp_scatter_${nametype1}$v(msg_scatter, msg, root, gid) | ^ Warning: ‘mp_scatter_rv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1785:27: 1785 | SUBROUTINE mp_igatherv_${nametype1}$v(sendbuf, sendcount, recvbuf, recvcounts, displs, root, comm, request) | ^ Warning: ‘mp_igatherv_rv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:2554:30: 2554 | SUBROUTINE mp_sum_scatter_${nametype1}$v(msgout, msgin, rcount, gid) | ^ Warning: ‘mp_sum_scatter_rv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3755:31: 3755 | SUBROUTINE mp_file_read_at_${nametype1}$v(fh, offset, msg, msglen) | ^ Warning: ‘mp_file_read_at_rv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3784:30: 3784 | SUBROUTINE mp_file_read_at_${nametype1}$ (fh, offset, msg) | ^ Warning: ‘mp_file_read_at_r’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1442:26: 1442 | SUBROUTINE mp_scatter_${nametype1}$v(msg_scatter, msg, root, gid) | ^ Warning: ‘mp_scatter_zv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1785:27: 1785 | SUBROUTINE mp_igatherv_${nametype1}$v(sendbuf, sendcount, recvbuf, recvcounts, displs, root, comm, request) | ^ Warning: ‘mp_igatherv_zv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:2554:30: 2554 | SUBROUTINE mp_sum_scatter_${nametype1}$v(msgout, msgin, rcount, gid) | ^ Warning: ‘mp_sum_scatter_zv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3755:31: 3755 | SUBROUTINE mp_file_read_at_${nametype1}$v(fh, offset, msg, msglen) | ^ Warning: ‘mp_file_read_at_zv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3784:30: 3784 | SUBROUTINE mp_file_read_at_${nametype1}$ (fh, offset, msg) | ^ Warning: ‘mp_file_read_at_z’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1442:26: 1442 | SUBROUTINE mp_scatter_${nametype1}$v(msg_scatter, msg, root, gid) | ^ Warning: ‘mp_scatter_cv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:1785:27: 1785 | SUBROUTINE mp_igatherv_${nametype1}$v(sendbuf, sendcount, recvbuf, recvcounts, displs, root, comm, request) | ^ Warning: ‘mp_igatherv_cv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:2554:30: 2554 | SUBROUTINE mp_sum_scatter_${nametype1}$v(msgout, msgin, rcount, gid) | ^ Warning: ‘mp_sum_scatter_cv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3755:31: 3755 | SUBROUTINE mp_file_read_at_${nametype1}$v(fh, offset, msg, msglen) | ^ Warning: ‘mp_file_read_at_cv’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90:3784:30: 3784 | SUBROUTINE mp_file_read_at_${nametype1}$ (fh, offset, msg) | ^ Warning: ‘mp_file_read_at_c’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'message_passing.mod' due to: message_passing.o /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.F /build/cp2k-6PcaEs/cp2k-8.1/src/mpiwrap/message_passing.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_array_sort.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_array_sort.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/array_sort.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_array_sort.F cp_array_sort.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:19:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_array_sort.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_array_sort.mod' due to: cp_array_sort.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_array_sort.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/array_sort.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/sort_m.f90 cp_array_sort.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/util.F util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:19:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'util.mod' due to: util.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/util.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/sort_m.f90 cp_array_sort.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cuda_profiling.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cuda_profiling.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cuda_profiling.F cuda_profiling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:19:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cuda_profiling.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cuda_profiling.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cuda_profiling.mod' due to: cuda_profiling.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/cuda_profiling.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'list_routinereport.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_routinereport.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_routinereport.F list_routinereport.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:19:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' list_routinereport.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'list_routinereport.mod' due to: list_routinereport.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_routinereport.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'list_timerenv.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_timerenv.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_timerenv.F list_timerenv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:19:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' list_timerenv.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'list_timerenv.mod' due to: list_timerenv.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/list_timerenv.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_types.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'list.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod list_routinestat.mod list_callstackentry.mod base_hooks.mod list_routinereport.mod list_timerenv.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.F list.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:19:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' list.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'list.mod' due to: list.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_base_type.mod list_routinestat.mod list_callstackentry.mod base_hooks.mod list_routinereport.mod list_timerenv.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'timings.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_types.mod timings_base_type.mod machine.mod callgraph.mod kinds.mod routine_map.mod base_hooks.mod cuda_profiling.mod list.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings.F timings.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:19:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' timings.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'timings.mod' due to: timings.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_types.mod timings_base_type.mod machine.mod callgraph.mod kinds.mod routine_map.mod base_hooks.mod cuda_profiling.mod list.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_files.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_files.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_files.F cp_files.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:19:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_files.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_files.mod' due to: cp_files.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_files.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'timings_report.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings_report.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 timings_types.mod timings_base_type.mod cp_para_types.mod message_passing.mod callgraph.mod util.mod kinds.mod routine_map.mod base_hooks.mod timings.mod cp_files.mod list.mod list_routinereport.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/timings_report.F timings_report.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:19:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' timings_report.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'string_utilities.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/string_utilities.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/string_utilities.F string_utilities.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:19:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' string_utilities.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/string_utilities.F:24:45: 24 | CHARACTER(LEN=1), PARAMETER :: backslash = '\\' | 1 Warning: CHARACTER expression at (1) is being truncated (2/1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/common/string_utilities.F:3168:3: 3168 | PURE FUNCTION s2a_60(s1, s2, s3, s4, s5, s6, s7, s8, s9, s10, & | ^ Warning: ‘s2a_60’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'string_utilities.mod' due to: string_utilities.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/string_utilities.F kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'parallel_rng_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/parallel_rng_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/parallel_rng_types.F parallel_rng_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' parallel_rng_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/parallel_rng_types.F:845:25: 845 | END FUNCTION next_real | ^ Warning: ‘u’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/parallel_rng_types.F:804:47: 804 | FUNCTION next_real(self, variance) RESULT(u) | ^ note: ‘u’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'parallel_rng_types.mod' due to: parallel_rng_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/parallel_rng_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_para_env.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_para_env.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_para_env.F cp_para_env.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_env.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_para_env.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_para_env.mod' due to: cp_para_env.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_para_env.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod message_passing.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_iter_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_iter_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_iter_types.F cp_iter_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_iter_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_iter_types.mod' due to: cp_iter_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_iter_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_log_handling.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_log_handling.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_iter_types.mod cp_para_types.mod machine.mod message_passing.mod string_utilities.mod kinds.mod base_hooks.mod timings.mod cp_files.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_log_handling.F cp_log_handling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_log_handling.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_log_handling.mod' due to: cp_log_handling.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_log_handling.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_iter_types.mod cp_para_types.mod machine.mod message_passing.mod string_utilities.mod kinds.mod base_hooks.mod timings.mod cp_files.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_array_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_array_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_array_utils.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod base_hooks.mod kinds.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_array_utils.F cp_array_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_array_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_array_utils.mod' due to: cp_array_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_array_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_array_utils.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod base_hooks.mod kinds.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'distribution_1d_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/distribution_1d_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cp_para_env.mod cp_array_utils.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/distribution_1d_types.F distribution_1d_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' distribution_1d_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mathconstants.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/mathconstants.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/mathconstants.F mathconstants.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mathconstants.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mathconstants.mod' due to: mathconstants.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/mathconstants.F kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'bessel_lib.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/bessel_lib.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/bessel_lib.F bessel_lib.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' bessel_lib.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lapack.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/lapack.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/lapack.F lapack.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lapack.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lebedev.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/lebedev.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/lebedev.F lebedev.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lebedev.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/lebedev.F:146:42: 146 | END FUNCTION get_number_of_lebedev_grid | ^ Warning: ‘number_of_lebedev_grid’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/lebedev.F:113:75: 113 | FUNCTION get_number_of_lebedev_grid(l, n) RESULT(number_of_lebedev_grid) | ^ note: ‘number_of_lebedev_grid’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lebedev.mod' due to: lebedev.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/lebedev.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'spherical_harmonics.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/spherical_harmonics.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/spherical_harmonics.F spherical_harmonics.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' spherical_harmonics.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'spherical_harmonics.mod' due to: spherical_harmonics.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/spherical_harmonics.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cg_test.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cg_test.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod lebedev.mod mathconstants.mod kinds.mod base_hooks.mod spherical_harmonics.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cg_test.F cg_test.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cg_test.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mathlib.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/mathlib.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/mathlib.F mathlib.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mathlib.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/mathlib.F:1484:3: 1484 | FUNCTION expint(n, x) | ^ Warning: ‘__result_expint’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/mathlib.F:143:23: 143 | END FUNCTION pswitch | ^ Warning: ‘fx’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/mathlib.F:100:46: 100 | FUNCTION pswitch(x, a, b, order) RESULT(fx) | ^ note: ‘fx’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kahan_sum.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/kahan_sum.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/kahan_sum.F kahan_sum.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kahan_sum.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'reference_manager.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/reference_manager.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod util.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/reference_manager.F reference_manager.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' reference_manager.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/reference_manager.F:721:40: 721 | res = thebib(key)%ref%citation_key | 1 Warning: CHARACTER expression will be truncated in assignment (80/128) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'string_table.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/string_table.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/string_table.F string_table.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' string_table.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lapack.mod' due to: lapack.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'splines.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/splines.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod lapack.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/splines.F splines.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' splines.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/splines.F:261:27: 261 | SUBROUTINE spline3valder(x, xi, c, val, der) | ^ Warning: ‘spline3valder’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'reference_manager.mod' due to: reference_manager.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'bibliography.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/bibliography.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 reference_manager.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/bibliography.F bibliography.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' bibliography.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_min_heap.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_min_heap.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_min_heap.F cp_min_heap.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_min_heap.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_min_heap.F:73:3: 73 | ELEMENTAL FUNCTION get_right_child(n) RESULT(child) | ^ Warning: ‘get_right_child’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_min_heap.F:100:3: 100 | ELEMENTAL FUNCTION get_value_by_key(heap, key) RESULT(value) | ^ Warning: ‘get_value_by_key’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'structure_factor_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/structure_factor_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/structure_factor_types.F structure_factor_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' structure_factor_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'structure_factor_types.mod' due to: structure_factor_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/structure_factor_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'structure_factors.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/structure_factors.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 structure_factor_types.mod base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/structure_factors.F structure_factors.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' structure_factors.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'periodic_table.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/periodic_table.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/periodic_table.F periodic_table.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' periodic_table.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fparser.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/fparser.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/fparser.F fparser.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fparser.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/fparser.F:355:3: 355 | FUNCTION EvalErrMsg() RESULT(msg) | ^ Warning: ‘evalerrmsg’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/fparser.F:504:36: 504 | IF (PRESENT(inext)) inext = in | ^ Warning: ‘in’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/fparser.F:503:38: 503 | IF (PRESENT(ibegin)) ibegin = ib | ^ Warning: ‘ib’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/fparser.F:1027:23: 1027 | vals(ipar) = xval | ^ Warning: ‘xval’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'linear_systems.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/linear_systems.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod lapack.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/linear_systems.F linear_systems.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' linear_systems.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'physcon.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/physcon.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/physcon.F physcon.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' physcon.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'gamma.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/gamma.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/gamma.F gamma.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gamma.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/gamma.F:281:22: 281 | SUBROUTINE fgamma_1(nmax, t, f) | ^ Warning: ‘fgamma_1’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 't_c_g0.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/t_c_g0.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/t_c_g0.F t_c_g0.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' t_c_g0.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'whittaker.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/whittaker.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/whittaker.F whittaker.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:20:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' whittaker.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/whittaker.F:111:26: 111 | SUBROUTINE whittaker_c0(wc, r, expa, erfa, alpha, l, n) | ^ Warning: ‘whittaker_c0’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'physcon.mod' due to: physcon.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_units.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_units.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mathconstants.mod kinds.mod base_hooks.mod string_utilities.mod cp_log_handling.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_units.F cp_units.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_units.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_units.F:443:31: 443 | desc = cp_unit_desc(unit) | 1 Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_units.F:1336:32: 1336 | SUBROUTINE cp_unit_set_retain(unit_set) | ^ Warning: ‘cp_unit_set_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'print_messages.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/print_messages.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/print_messages.F print_messages.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' print_messages.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'print_messages.mod' due to: print_messages.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_error_handling.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_error_handling.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod machine.mod message_passing.mod print_messages.mod kinds.mod base_hooks.mod timings.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_error_handling.F cp_error_handling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_error_handling.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'powell.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F powell.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' powell.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F:1608:34: 1608 | tempb = tempb - taumax | ^ Warning: ‘tempb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F:1850:32: 1850 | tempb = tempb - qmin | ^ Warning: ‘tempb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F:1665:66: 1665 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb | ^ note: ‘tempb’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F:1824:30: 1824 | cf = half*(shs - dhd) | ^ Warning: ‘shs’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F:1665:37: 1665 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb | ^ note: ‘shs’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F:1835:57: 1835 | qnew = (sg + cf*cth)*cth + (dg + dhs*cth)*sth | ^ Warning: ‘sg’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F:1665:27: 1665 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb | ^ note: ‘sg’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F:1742:49: 1742 | qadd = alpha*(gg - half*alpha*dhd) | ^ Warning: ‘bstep’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/powell.F:1663:46: 1663 | REAL(dp) :: alpha, angle, angtest, bstep, cf, cth, dd, delsq, dg, dhd, & | ^ note: ‘bstep’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_result_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_result_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_result_types.F cp_result_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_result_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_result_types.mod' due to: cp_result_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_result_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_result_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_result_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_result_types.mod message_passing.mod memory_utilities.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_result_methods.F cp_result_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_result_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_result_methods.F:271:17: 271 | CPASSERT(nrep*size_res == size_values) | ^ Warning: ‘size_res’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_result_methods.F:199:17: 199 | CPASSERT(nrep*size_res == size_values) | ^ Warning: ‘size_res’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'd3_poly.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F d3_poly.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' d3_poly.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:235:3: 235 | PURE FUNCTION mono_index1(i) RESULT(res) | ^ Warning: ‘mono_index1’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:281:3: 281 | PURE FUNCTION mono_exp1(ii) RESULT(res) | ^ Warning: ‘mono_exp1’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:332:3: 332 | PURE FUNCTION mono_mult1(ii, ij) RESULT(res) | ^ Warning: ‘mono_mult1’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:345:3: 345 | PURE FUNCTION mono_mult2(ii, ij) RESULT(res) | ^ Warning: ‘mono_mult2’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:361:3: 361 | PURE FUNCTION mono_mult3(ii, ij) RESULT(res) | ^ Warning: ‘mono_mult3’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:379:24: 379 | SUBROUTINE poly_mult1(p1, p2, pRes, np1, sumUp) | ^ Warning: ‘poly_mult1’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:424:24: 424 | SUBROUTINE poly_mult2(p1, p2, pRes, np1, sumUp) | ^ Warning: ‘poly_mult2’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:502:24: 502 | SUBROUTINE poly_mult3(p1, p2, pRes, np1, sumUp) | ^ Warning: ‘poly_mult3’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:736:25: 736 | SUBROUTINE poly_write1(p, out_f) | ^ Warning: ‘poly_write1’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:760:25: 760 | SUBROUTINE poly_write2(p, out_f) | ^ Warning: ‘poly_write2’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:788:25: 788 | SUBROUTINE poly_write3(p, out_f) | ^ Warning: ‘poly_write3’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:820:3: 820 | FUNCTION poly_random(p, maxSize, minSize) RESULT(res) | ^ Warning: ‘poly_random’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:1173:26: 1173 | SUBROUTINE poly_p_eval3(p, x, pRes, npoly) | ^ Warning: ‘poly_p_eval3’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:1277:31: 1277 | SUBROUTINE poly_padd_uneval3(p, x, pRes, npoly) | ^ Warning: ‘poly_padd_uneval3’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:1380:26: 1380 | SUBROUTINE poly_p_eval2(p, x, pRes, npoly) | ^ Warning: ‘poly_p_eval2’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:1479:31: 1479 | SUBROUTINE poly_padd_uneval2(p, x, pRes, npoly) | ^ Warning: ‘poly_padd_uneval2’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:1577:24: 1577 | SUBROUTINE poly_eval1(p, x, pRes, npoly) | ^ Warning: ‘poly_eval1’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:1611:24: 1611 | SUBROUTINE poly_eval2(p, x, y, pRes, npoly) | ^ Warning: ‘poly_eval2’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:1678:24: 1678 | SUBROUTINE poly_eval3(p, x, y, z, pRes, npoly) | ^ Warning: ‘poly_eval3’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/d3_poly.F:1751:26: 1751 | SUBROUTINE poly_derive3(p, pRes, npoly, sumUp) | ^ Warning: ‘poly_derive3’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eigenvalueproblems.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/eigenvalueproblems.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod lapack.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/eigenvalueproblems.F eigenvalueproblems.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eigenvalueproblems.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/common/eigenvalueproblems.F:146:25: 146 | SUBROUTINE cp2k_sgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) | ^ Warning: ‘cp2k_sgesvd’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/common/eigenvalueproblems.F:180:25: 180 | SUBROUTINE cp2k_cgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) | ^ Warning: ‘cp2k_cgesvd’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 't_sh_p_s_c.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/t_sh_p_s_c.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/t_sh_p_s_c.F t_sh_p_s_c.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' t_sh_p_s_c.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a' due to: timings_report.o distribution_1d_types.o cp_para_env.o bessel_lib.o lapack.o cg_test.o mathlib.o routine_map.o kahan_sum.o cp_array_utils.o reference_manager.o list_routinereport.o string_table.o splines.o string_utilities.o timings.o bibliography.o cp_min_heap.o structure_factors.o periodic_table.o fparser.o mathconstants.o list_routinestat.o memory_utilities.o linear_systems.o physcon.o gamma.o cp_para_types.o cp_files.o t_c_g0.o whittaker.o cp_units.o list_callstackentry.o timings_base_type.o structure_factor_types.o print_messages.o cp_error_handling.o timings_types.o lebedev.o list.o util.o powell.o cp_result_methods.o cp_array_sort.o list_timerenv.o cuda_profiling.o cp_log_handling.o d3_poly.o cp_result_types.o eigenvalueproblems.o parallel_rng_types.o spherical_harmonics.o cp_iter_types.o t_sh_p_s_c.o callgraph.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a timings_report.o distribution_1d_types.o cp_para_env.o bessel_lib.o lapack.o cg_test.o mathlib.o routine_map.o kahan_sum.o cp_array_utils.o reference_manager.o list_routinereport.o string_table.o splines.o string_utilities.o timings.o bibliography.o cp_min_heap.o structure_factors.o periodic_table.o fparser.o mathconstants.o list_routinestat.o memory_utilities.o linear_systems.o physcon.o gamma.o cp_para_types.o cp_files.o t_c_g0.o whittaker.o cp_units.o list_callstackentry.o timings_base_type.o structure_factor_types.o print_messages.o cp_error_handling.o timings_types.o lebedev.o list.o util.o powell.o cp_result_methods.o cp_array_sort.o list_timerenv.o cuda_profiling.o cp_log_handling.o d3_poly.o cp_result_types.o eigenvalueproblems.o parallel_rng_types.o spherical_harmonics.o cp_iter_types.o t_sh_p_s_c.o callgraph.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a' due to: message_passing.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a message_passing.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'machine_cpuid.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_cpuid.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_cpuid.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/base/machine_cpuid.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a' due to: machine.o kinds.o base_hooks.o machine_internal.o machine_cpuid.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a machine.o kinds.o base_hooks.o machine_internal.o machine_cpuid.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:139: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/memory_utilities_unittest.psmp' due to: memory_utilities_unittest.o /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/memory_utilities_unittest.psmp memory_utilities_unittest.o -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'parallel_rng_types_unittest.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/common/parallel_rng_types_unittest.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a parallel_rng_types.mod machine.mod message_passing.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/common/parallel_rng_types_unittest.F parallel_rng_types_unittest.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/common/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' parallel_rng_types_unittest.F90 /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:135: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/parallel_rng_types_unittest.psmp' due to: parallel_rng_types_unittest.o /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/parallel_rng_types_unittest.psmp parallel_rng_types_unittest.o -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_miniapp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_miniapp.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_replay.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_miniapp.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_grid_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grid_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grid_types.F pw_grid_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_grid_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_grid_types.mod' due to: pw_grid_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grid_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fft_kinds.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fft_kinds.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fft_kinds.F fft_kinds.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fft_kinds.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fft_kinds.mod' due to: fft_kinds.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fft_kinds.F true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fft_plan.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fft_plan.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod fft_kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fft_plan.F fft_plan.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fft_plan.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fft_plan.mod' due to: fft_plan.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fft_plan.F fft_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fftw3_lib.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fftw3_lib.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fft_kinds.mod base_hooks.mod fft_plan.mod cp_files.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fftw3_lib.F fftw3_lib.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fftw3_lib.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fftw3_lib.F:1077:71: 1077 | scal_offset | ^ Warning: ‘scal_offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fftw3_lib.F:1123:99: 1123 | IF (scale /= 1.0_dp) CALL zdscal(plan%n*num_rows, scale, zout(scal_offset:scal_offset), 1) | ^ Warning: ‘num_rows’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fftw3_lib.F:1076:86: 1076 | INTEGER :: in_offset, my_id, num_rows, out_offset, & | ^ note: ‘num_rows’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fftw3_lib.mod' due to: fftw3_lib.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fftw3_lib.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fft_kinds.mod base_hooks.mod fft_plan.mod cp_files.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mltfftsg_tools.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/mltfftsg_tools.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod fft_kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mltfftsg_tools.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mltfftsg_tools.mod' due to: mltfftsg_tools.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/mltfftsg_tools.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod fft_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fftsg_lib.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fftsg_lib.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mltfftsg_tools.mod fft_kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fftsg_lib.F fftsg_lib.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fftsg_lib.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fftsg_lib.mod' due to: fftsg_lib.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fftsg_lib.F mltfftsg_tools.mod fft_kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fft_lib.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fft_lib.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fftw3_lib.mod fft_kinds.mod base_hooks.mod fft_plan.mod fftsg_lib.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fft_lib.F fft_lib.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fft_lib.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fft_lib.mod' due to: fft_lib.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft/fft_lib.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fftw3_lib.mod fft_kinds.mod base_hooks.mod fft_plan.mod fftsg_lib.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fast.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fast.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fast.F fast.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fast.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fast.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fast.mod' due to: fast.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fast.F mathconstants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fft_tools.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft_tools.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod fft_lib.mod kinds.mod base_hooks.mod fft_plan.mod cp_log_handling.mod fast.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft_tools.F fft_tools.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fft_tools.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft_tools.F:3286:64: 3286 | fft_scratch_last%fft_scratch_next => fft_scratch_new | ^ Warning: ‘fft_scratch_last’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fft_tools.mod' due to: fft_tools.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fft_tools.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod fft_lib.mod kinds.mod base_hooks.mod fft_plan.mod cp_log_handling.mod fast.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_grid_info.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grid_info.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod fft_tools.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grid_info.F pw_grid_info.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_grid_info.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_grid_info.mod' due to: pw_grid_info.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grid_info.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod fft_tools.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mathlib.mod' due to: mathlib.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_grids.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grids.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_grid_info.mod mathlib.mod message_passing.mod util.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grids.F pw_grids.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:21:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_grids.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grids.F:1429:29: 1429 | DO n = nlim(1), nlim(2) | ^ Warning: ‘nlim[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grids.F:1429:29: Warning: ‘nlim[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grids.F:1024:17: 1024 | .OR. .NOT. blocking) THEN | ^ Warning: ‘blocking’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grids.F:822:68: 822 | LOGICAL :: blocking | ^ note: ‘blocking’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grids.F:1421:44: 1421 | n = n_upperlimit - bounds(1, 3) + 1 | ^ Warning: ‘n_upperlimit’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grids.F:1400:85: 1400 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn | ^ note: ‘n_upperlimit’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_grids.mod' due to: pw_grids.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_grids.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod pw_grid_info.mod mathlib.mod message_passing.mod util.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod kinds.mod base_hooks.mod timings.mod pw_grids.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_types.F pw_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_types.mod' due to: pw_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod kinds.mod base_hooks.mod timings.mod pw_grids.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kahan_sum.mod' due to: kahan_sum.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_cuda.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_cuda.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod fft_tools.mod message_passing.mod kinds.mod base_hooks.mod fast.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_cuda.F pw_cuda.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_cuda.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_cuda.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_cuda.F:770:25: 770 | SUBROUTINE pw_cuda_cff(pw1, pwbuf) | ^ Warning: ‘pw_cuda_cff’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_cuda.F:811:25: 811 | SUBROUTINE pw_cuda_ffc(pwbuf, pw2) | ^ Warning: ‘pw_cuda_ffc’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_cuda.F:852:24: 852 | SUBROUTINE pw_cuda_cf(pw1, pwbuf) | ^ Warning: ‘pw_cuda_cf’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_cuda.F:893:24: 893 | SUBROUTINE pw_cuda_fc(pwbuf, pw2) | ^ Warning: ‘pw_cuda_fc’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_cuda.F:936:23: 936 | SUBROUTINE pw_cuda_f(pwbuf1, pwbuf2, dir, n, m) | ^ Warning: ‘pw_cuda_f’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_cuda.F:979:24: 979 | SUBROUTINE pw_cuda_fg(pwbuf, pw2, scale) | ^ Warning: ‘pw_cuda_fg’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_cuda.F:1029:24: 1029 | SUBROUTINE pw_cuda_sf(pw1, pwbuf, scale) | ^ Warning: ‘pw_cuda_sf’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_cuda.mod' due to: pw_cuda.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_cuda.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod fft_tools.mod message_passing.mod kinds.mod base_hooks.mod fast.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_fpga.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_fpga.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_files.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_fpga.F pw_fpga.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_fpga.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_fpga.mod' due to: pw_fpga.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_fpga.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_files.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod machine.mod pw_cuda.mod fft_tools.mod message_passing.mod pw_fpga.mod kinds.mod base_hooks.mod kahan_sum.mod cp_log_handling.mod fast.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_methods.F pw_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_methods.F:1837:30: 1837 | pw2%in_space = out_space | ^ Warning: ‘out_space’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_methods.F:2102:57: 2102 | integral_value = integral_value*pw1%pw_grid%dvol | ^ Warning: ‘integral_value’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_methods.F:2051:56: 2051 | integral_value = integral_value*pw1%pw_grid%vol | ^ Warning: ‘integral_value’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_methods.mod' due to: pw_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod machine.mod pw_cuda.mod fft_tools.mod message_passing.mod pw_fpga.mod kinds.mod base_hooks.mod kahan_sum.mod cp_log_handling.mod fast.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'realspace_grid_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/realspace_grid_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod machine.mod mathlib.mod message_passing.mod util.mod cp_array_utils.mod kinds.mod base_hooks.mod kahan_sum.mod pw_methods.mod pw_grids.mod cp_log_handling.mod fast.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/realspace_grid_types.F realspace_grid_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' realspace_grid_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'realspace_grid_types.mod' due to: realspace_grid_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/realspace_grid_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod machine.mod mathlib.mod message_passing.mod util.mod cp_array_utils.mod kinds.mod base_hooks.mod kahan_sum.mod pw_methods.mod pw_grids.mod cp_log_handling.mod fast.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_units.mod' due to: cp_units.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cell_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/cell_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mathlib.mod cp_units.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/cell_types.F cell_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cell_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cell_types.mod' due to: cell_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/cell_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mathlib.mod cp_units.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cube_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/cube_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod mathlib.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/cube_utils.F cube_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cube_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cube_utils.mod' due to: cube_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/cube_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod mathlib.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'grid_api.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_api.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod cell_types.mod message_passing.mod kinds.mod base_hooks.mod cube_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_api.F grid_api.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/grid/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' grid_api.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_replay.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_replay.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_collocate.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_replay.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_integrate.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/gpu/grid_gpu_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_replay.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_task_list.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_task_list.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/gpu/grid_gpu_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_task_list.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a' due to: grid_api.o grid_replay.o grid_task_list.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a grid_api.o grid_replay.o grid_task_list.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_collocate_hybrid.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/hybrid/grid_collocate_hybrid.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/coefficients.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/hybrid/grid_collocate_hybrid.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_integrate_hybrid.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/hybrid/grid_integrate_hybrid.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/coefficients.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/hybrid/grid_hybrid_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/hybrid/grid_integrate_hybrid.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a' due to: grid_collocate_hybrid.o grid_integrate_hybrid.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a grid_collocate_hybrid.o grid_integrate_hybrid.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_prepare_pab_dgemm.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'non_orthorombic_corrections.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_integrate_dgemm.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_integrate_dgemm.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/coefficients.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_integrate_dgemm.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_context_cpu.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_context_cpu.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_context_cpu.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_context_cpu.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'coefficients.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/coefficients.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/coefficients.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/coefficients.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_collocate_dgemm.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_cpu_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_prepare_pab_dgemm.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/coefficients.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'tensor_local.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'collocation_integration.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/collocation_integration.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/cpu_private_header.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/tensor_local.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/collocation_integration.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/utils.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/non_orthorombic_corrections.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/cpu/collocation_integration.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a' due to: grid_prepare_pab_dgemm.o non_orthorombic_corrections.o grid_integrate_dgemm.o grid_context_cpu.o coefficients.o utils.o grid_collocate_dgemm.o tensor_local.o collocation_integration.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a grid_prepare_pab_dgemm.o non_orthorombic_corrections.o grid_integrate_dgemm.o grid_context_cpu.o coefficients.o utils.o grid_collocate_dgemm.o tensor_local.o collocation_integration.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_ref_prepare_pab.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_prepare_pab.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_ref_task_list.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_task_list.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_collocate.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_integrate.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_task_list.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_task_list.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_ref_integrate.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_integrate.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_collint.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_integrate.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_integrate.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_ref_collocate.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_collocate.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_collint.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_collocate.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_integrate.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/ref/grid_ref_collocate.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a' due to: grid_ref_prepare_pab.o grid_ref_task_list.o grid_ref_integrate.o grid_ref_collocate.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a grid_ref_prepare_pab.o grid_ref_task_list.o grid_ref_integrate.o grid_ref_collocate.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_basis_set.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_basis_set.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_buffer.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_buffer.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_sphere_cache.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_library.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_common.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a' due to: grid_basis_set.o grid_buffer.o grid_sphere_cache.o grid_library.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a grid_basis_set.o grid_buffer.o grid_sphere_cache.o grid_library.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'shell_potential_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/shell_potential_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/shell_potential_types.F shell_potential_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' shell_potential_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'damping_dipole_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/damping_dipole_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/damping_dipole_types.F damping_dipole_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' damping_dipole_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atprop_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/atprop_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/atprop_types.F atprop_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atprop_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_parser_buffer_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_buffer_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_buffer_types.F cp_parser_buffer_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_buffer_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_parser_buffer_types.mod' due to: cp_parser_buffer_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_buffer_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_parser_status_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_status_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_buffer_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_status_types.F cp_parser_status_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_status_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_parser_status_types.mod' due to: cp_parser_status_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_status_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_buffer_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_parser_ilist_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_ilist_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_ilist_types.F cp_parser_ilist_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_ilist_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_parser_ilist_types.mod' due to: cp_parser_ilist_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_ilist_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_parser_inpp_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_inpp_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_inpp_types.F cp_parser_inpp_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_inpp_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_parser_inpp_types.mod' due to: cp_parser_inpp_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_inpp_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_parser_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_buffer_types.mod cp_parser_status_types.mod cp_parser_ilist_types.mod cp_para_types.mod cp_parser_inpp_types.mod cp_para_env.mod message_passing.mod string_utilities.mod kinds.mod base_hooks.mod cp_files.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_types.F cp_parser_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_types.F:110:27: 110 | SUBROUTINE parser_retain(parser) | ^ Warning: ‘parser_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_parser_types.mod' due to: cp_parser_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_buffer_types.mod cp_parser_status_types.mod cp_parser_ilist_types.mod cp_para_types.mod cp_parser_inpp_types.mod cp_para_env.mod message_passing.mod string_utilities.mod kinds.mod base_hooks.mod cp_files.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_enumeration_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_enumeration_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_enumeration_types.F input_enumeration_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_enumeration_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_enumeration_types.mod' due to: input_enumeration_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_enumeration_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_val_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_val_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod input_enumeration_types.mod cp_units.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_val_types.F input_val_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_val_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_val_types.mod' due to: input_val_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_val_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod input_enumeration_types.mod cp_units.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_keyword_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_keyword_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_val_types.mod input_enumeration_types.mod reference_manager.mod cp_units.mod print_messages.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_keyword_types.F input_keyword_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_keyword_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_keyword_types.F:542:83: 542 | c_string = cp_unit_desc(keyword%unit, accept_undefined=.TRUE.) | 1 Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_keyword_types.mod' due to: input_keyword_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_keyword_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_val_types.mod input_enumeration_types.mod reference_manager.mod cp_units.mod print_messages.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_linked_list_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_linked_list_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_linked_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_val_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_linked_list_input.F cp_linked_list_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_linked_list_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_linked_list_input.mod' due to: cp_linked_list_input.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_linked_list_input.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_linked_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_val_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_section_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_section_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod reference_manager.mod cp_linked_list_input.mod print_messages.mod kinds.mod base_hooks.mod string_utilities.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_section_types.F input_section_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:22:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_section_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_section_types.F:904:3: 904 | FUNCTION section_get_cval(section_vals, keyword_name) RESULT(res) | ^ Warning: ‘section_get_cval’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_section_types.F:936:3: 936 | FUNCTION section_get_rvals(section_vals, keyword_name) RESULT(res) | ^ Warning: ‘section_get_rvals’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_section_types.mod' due to: input_section_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_section_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod reference_manager.mod cp_linked_list_input.mod print_messages.mod kinds.mod base_hooks.mod string_utilities.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'orbital_pointers.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/orbital_pointers.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/orbital_pointers.F orbital_pointers.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' orbital_pointers.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'orbital_pointers.mod' due to: orbital_pointers.o /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/orbital_pointers.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'orbital_symbols.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/orbital_symbols.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/orbital_symbols.F orbital_symbols.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' orbital_symbols.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/orbital_symbols.F:126:31: 126 | symbol(i:i) = l_sym(l) | ^ Warning: ‘i’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'orbital_symbols.mod' due to: orbital_symbols.o /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/orbital_symbols.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'orbital_transformation_matrices.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/orbital_transformation_matrices.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mathlib.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod orbital_symbols.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/orbital_transformation_matrices.F orbital_transformation_matrices.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' orbital_transformation_matrices.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'orbital_transformation_matrices.mod' due to: orbital_transformation_matrices.o /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/orbital_transformation_matrices.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mathlib.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod orbital_symbols.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_parser_inpp_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_inpp_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_inpp_types.mod memory_utilities.mod kinds.mod base_hooks.mod cp_files.mod string_utilities.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_inpp_methods.F cp_parser_inpp_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_inpp_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_inpp_methods.F:237:53: 237 | filename = "xc_section"//'/'//filename | 1 Warning: CHARACTER expression will be truncated in assignment (1024/1035) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_inpp_methods.F:605:75: 605 | newline = input_line(1:pos1 - 3)//var_value//input_line(pos2 + 2:) | ^ Warning: ‘.var_value’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_parser_inpp_methods.mod' due to: cp_parser_inpp_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_inpp_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_inpp_types.mod memory_utilities.mod kinds.mod base_hooks.mod cp_files.mod string_utilities.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_parser_ilist_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_ilist_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_ilist_types.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_ilist_methods.F cp_parser_ilist_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_ilist_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_parser_ilist_methods.mod' due to: cp_parser_ilist_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_ilist_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_ilist_types.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_parser_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_buffer_types.mod cp_parser_types.mod cp_para_types.mod message_passing.mod cp_parser_inpp_methods.mod kinds.mod base_hooks.mod string_utilities.mod cp_parser_ilist_methods.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_methods.F cp_parser_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_parser_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_methods.F:1400:33: 1400 | object8 = object8*iz8 | ^ Warning: ‘object8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_methods.F:571:68: 571 | length = MIN(len_trim_inputline - parser%icol1 + 1, length) | ^ Warning: ‘length’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_parser_methods.mod' due to: cp_parser_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_parser_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_buffer_types.mod cp_parser_types.mod cp_para_types.mod message_passing.mod cp_parser_inpp_methods.mod kinds.mod base_hooks.mod string_utilities.mod cp_parser_ilist_methods.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'bibliography.mod' due to: bibliography.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'periodic_table.mod' due to: periodic_table.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ao_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ao_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ao_util.F ao_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ao_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ao_util.F:472:27: 472 | SUBROUTINE transform_c2s(CPC_co, CPC_so, maxl, lm1, lm2) | ^ Warning: ‘transform_c2s’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ao_util.F:567:31: 567 | SUBROUTINE transform_c2s_new(CPC_co, CPC_so, maxl) | ^ Warning: ‘transform_c2s_new’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ao_util.F:602:27: 602 | SUBROUTINE transform_s2c(matso, matco, maxl, lm1, lm2) | ^ Warning: ‘transform_s2c’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ao_util.F:676:26: 676 | SUBROUTINE sph2cart_mat(mat, ld_mat, sd_mat, n, lmax1, lmax2) | ^ Warning: ‘sph2cart_mat’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ao_util.F:206:10: 206 | IF (g(1) .LT. t) RETURN ! early exit | ^ Warning: ‘t’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ao_util.F:197:49: 197 | r = MAX(SQRT(0.5_dp*REAL(l, dp)/a), radius) | ^ Warning: ‘a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ao_util.mod' due to: ao_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ao_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'external_potential_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/external_potential_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod input_val_types.mod cp_para_types.mod mathlib.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_parser_methods.mod cp_linked_list_input.mod memory_utilities.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod periodic_table.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/external_potential_types.F external_potential_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' external_potential_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/external_potential_types.F:2339:120: 2339 | WRITE (line_att, '(A)') " # Potential name: "//apname2(:strlen2)//" for symbol: "//symbol2(:strlen1) | ^ Warning: ‘strlen2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/external_potential_types.F:2339:120: Warning: ‘strlen1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/external_potential_types.F:1711:120: 1711 | WRITE (line_att, '(A)') " # Potential name: "//apname2(:strlen2)//" for symbol: "//symbol2(:strlen1) | ^ Warning: ‘strlen2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/external_potential_types.F:1711:120: Warning: ‘strlen1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/external_potential_types.F:1532:120: 1532 | WRITE (line_att, '(A)') " # Potential name: "//apname2(:strlen2)//" for symbol: "//symbol2(:strlen1) | ^ Warning: ‘strlen2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/external_potential_types.F:1532:120: Warning: ‘strlen1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'damping_dipole_types.mod' due to: damping_dipole_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'shell_potential_types.mod' due to: shell_potential_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'external_potential_types.mod' due to: external_potential_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atomic_kind_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/atomic_kind_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 damping_dipole_types.mod shell_potential_types.mod external_potential_types.mod kinds.mod base_hooks.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/atomic_kind_types.F atomic_kind_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atomic_kind_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atomic_kind_types.mod' due to: atomic_kind_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'particle_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/particle_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod message_passing.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/particle_types.F particle_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' particle_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'particle_types.mod' due to: particle_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/particle_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod message_passing.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'colvar_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F colvar_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' colvar_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1036:82: 1036 | INTEGER, DIMENSION(:), POINTER :: i_hydrogens, i_oxygens | ^ Warning: ‘i_oxygens.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1036:82: Warning: ‘i_oxygens.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1069:13: 1069 | IF (ANY(i_hydrogens == i)) & | ^ Warning: ‘i_hydrogens.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1036:71: 1036 | INTEGER, DIMENSION(:), POINTER :: i_hydrogens, i_oxygens | ^ Warning: ‘i_hydrogens.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1036:71: Warning: ‘i_hydrogens.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1036:71: Warning: ‘i_hydrogens.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1083:19: 1083 | IF (i > n_oxygens) & | ^ Warning: ‘n_oxygens’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1035:84: 1035 | INTEGER :: i, idum, ii, n_hydrogens, n_oxygens, np | ^ Warning: ‘n_hydrogens’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1107:75: 1107 | i_oxygens_water | ^ Warning: ‘i_oxygens_water.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1107:75: Warning: ‘i_oxygens_water.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1150:13: 1150 | IF (ANY(i_oxygens_acid == i)) & | ^ Warning: ‘i_oxygens_acid.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1106:87: 1106 | INTEGER, DIMENSION(:), POINTER :: i_hydrogens, i_oxygens_acid, & | ^ Warning: ‘i_oxygens_acid.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1106:87: Warning: ‘i_oxygens_acid.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1106:87: Warning: ‘i_oxygens_acid.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1157:13: 1157 | IF (ANY(i_hydrogens == i)) & | ^ Warning: ‘i_hydrogens.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1106:71: 1106 | INTEGER, DIMENSION(:), POINTER :: i_hydrogens, i_oxygens_acid, & | ^ Warning: ‘i_hydrogens.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1106:71: Warning: ‘i_hydrogens.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1106:71: Warning: ‘i_hydrogens.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F:1104:84: 1104 | INTEGER :: i, idum, ii, n_hydrogens, & | ^ Warning: ‘n_hydrogens’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'colvar_types.mod' due to: colvar_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/colvar_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'force_field_kind_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/force_field_kind_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/force_field_kind_types.F force_field_kind_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_field_kind_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'force_field_kind_types.mod' due to: force_field_kind_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/force_field_kind_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_output_handling.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_output_handling.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_iter_types.mod machine.mod message_passing.mod memory_utilities.mod kinds.mod base_hooks.mod cp_files.mod string_utilities.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_output_handling.F cp_output_handling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_output_handling.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_output_handling.F:731:23: 731 | outName = outPath | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_output_handling.mod' due to: cp_output_handling.o /build/cp2k-6PcaEs/cp2k-8.1/src/input/cp_output_handling.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_iter_types.mod machine.mod message_passing.mod memory_utilities.mod kinds.mod base_hooks.mod cp_files.mod string_utilities.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'molecule_kind_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_kind_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod force_field_kind_types.mod shell_potential_types.mod colvar_types.mod atomic_kind_types.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_kind_types.F molecule_kind_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecule_kind_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'molecule_kind_types.mod' due to: molecule_kind_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_kind_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod force_field_kind_types.mod shell_potential_types.mod colvar_types.mod atomic_kind_types.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'molecule_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 colvar_types.mod molecule_kind_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_types.F molecule_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecule_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_types.F:502:94: 502 | INTEGER :: first_atom, iatom, imol, last_atom, & | ^ Warning: ‘last_atom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_types.F:502:70: 502 | INTEGER :: first_atom, iatom, imol, last_atom, & | ^ Warning: ‘first_atom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_types.F:467:94: 467 | INTEGER :: first_atom, iatom, imol, last_atom | ^ Warning: ‘last_atom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_types.F:467:70: 467 | INTEGER :: first_atom, iatom, imol, last_atom | ^ Warning: ‘first_atom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'molecule_types.mod' due to: molecule_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 colvar_types.mod molecule_kind_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'molecule_list_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/subsys_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_list_types.F molecule_list_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecule_list_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atomic_kind_list_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/atomic_kind_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/subsys_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/atomic_kind_list_types.F atomic_kind_list_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atomic_kind_list_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'multipole_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/multipole_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod external_potential_types.mod atomic_kind_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/multipole_types.F multipole_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' multipole_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'virial_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/virial_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/virial_types.F virial_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' virial_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'virial_types.mod' due to: virial_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/virial_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'molecule_list_types.mod' due to: molecule_list_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'molecule_kind_list_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_kind_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/subsys_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecule_kind_list_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'molecule_kind_list_types.mod' due to: molecule_kind_list_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/molecule_kind_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/subsys_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 molecule_kind_types.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'distribution_1d_types.mod' due to: distribution_1d_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'particle_list_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/particle_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/subsys_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/particle_list_types.F particle_list_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' particle_list_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'particle_list_types.mod' due to: particle_list_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/particle_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/subsys_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'multipole_types.mod' due to: multipole_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atomic_kind_list_types.mod' due to: atomic_kind_list_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atprop_types.mod' due to: atprop_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_subsys_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/cp_subsys_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod colvar_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod molecule_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_result_types.mod multipole_types.mod atomic_kind_list_types.mod atomic_kind_types.mod atprop_types.mod base_hooks.mod cp_para_env.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subsys/cp_subsys_types.F cp_subsys_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/subsys/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_subsys_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a' due to: shell_potential_types.o damping_dipole_types.o atprop_types.o external_potential_types.o atomic_kind_types.o molecule_list_types.o colvar_types.o molecule_types.o atomic_kind_list_types.o multipole_types.o cp_subsys_types.o particle_types.o particle_list_types.o molecule_kind_list_types.o force_field_kind_types.o molecule_kind_types.o cell_types.o virial_types.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a shell_potential_types.o damping_dipole_types.o atprop_types.o external_potential_types.o atomic_kind_types.o molecule_list_types.o colvar_types.o molecule_types.o atomic_kind_list_types.o multipole_types.o cp_subsys_types.o particle_types.o particle_list_types.o molecule_kind_list_types.o force_field_kind_types.o molecule_kind_types.o cell_types.o virial_types.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_blacs_calls.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_blacs_calls.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_blacs_calls.F cp_blacs_calls.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_calls.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_blacs_calls.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_blacs_calls.mod' due to: cp_blacs_calls.o /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_blacs_calls.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_blacs_env.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_blacs_env.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod machine.mod mathlib.mod cp_para_env.mod message_passing.mod cp_array_utils.mod kinds.mod cp_blacs_calls.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_blacs_env.F cp_blacs_env.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_blacs_env.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_blacs_env.mod' due to: cp_blacs_env.o /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_blacs_env.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod machine.mod mathlib.mod cp_para_env.mod message_passing.mod cp_array_utils.mod kinds.mod cp_blacs_calls.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_fm_struct.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_struct.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod machine.mod cp_para_env.mod cp_blacs_env.mod message_passing.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_struct.F cp_fm_struct.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_struct.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_fm_struct.mod' due to: cp_fm_struct.o /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_struct.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod machine.mod cp_para_env.mod cp_blacs_env.mod message_passing.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_fm_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cp_fm_struct.mod cp_blacs_env.mod message_passing.mod kinds.mod cp_blacs_calls.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_types.F cp_fm_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_types.F:1894:40: 1894 | SUBROUTINE cp_fm_to_fm_submat_general(source, & | ^ Warning: ‘cp_fm_to_fm_submat_general’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_types.F:1138:10: 1138 | IF (docol) THEN | ^ Warning: ‘docol’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_types.F:977:57: 977 | ir_max_vec(mepos) = row_indices(ir_max_local) | ^ Warning: ‘ir_max_local’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_types.F:978:57: 978 | ic_max_vec(mepos) = col_indices(ic_max_local) | ^ Warning: ‘ic_max_local’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_fm_types.mod' due to: cp_fm_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cp_fm_struct.mod cp_blacs_env.mod message_passing.mod kinds.mod cp_blacs_calls.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_fm_cholesky.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_cholesky.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_cholesky.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_linked_list_fm.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_linked_list_fm.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_linked_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_linked_list_fm.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_linked_list_fm.mod' due to: cp_linked_list_fm.o /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_linked_list_fm.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_linked_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_fm_pool_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_pool_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod cp_linked_list_fm.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_pool_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_pool_types.F:259:27: 259 | SUBROUTINE fm_pools_copy(source_pools, target_pools) | ^ Warning: ‘fm_pools_copy’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_fm_diag_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_diag_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod mathlib.mod cp_blacs_env.mod cp_para_env.mod message_passing.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_diag_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_fm_vect.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_vect.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_vect.F cp_fm_vect.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_vect.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_vect.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_fm_cholesky.mod' due to: cp_fm_cholesky.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_fm_diag_utils.mod' due to: cp_fm_diag_utils.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_fm_basic_linalg.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_basic_linalg.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod kahan_sum.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_basic_linalg.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_basic_linalg.F:196:25: 196 | SUBROUTINE cp_fm_geadd(alpha, trans, matrix_a, beta, matrix_b) | ^ Warning: ‘cp_fm_geadd’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_basic_linalg.F:277:32: 277 | SUBROUTINE cp_fm_lu_decompose(matrix_a, almost_determinant, correct_sign) | ^ Warning: ‘cp_fm_lu_decompose’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_basic_linalg.F:1892:29: 1892 | SUBROUTINE cp_fm_lu_invert(matrix, info_out) | ^ Warning: ‘cp_fm_lu_invert’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_basic_linalg.F:2111:3: 2111 | FUNCTION cp_fm_latra(matrix) RESULT(res) | ^ Warning: ‘cp_fm_latra’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_basic_linalg.F:2065:34: 2065 | ALLOCATE (work_sp(lwork)) | ^ Warning: ‘lwork’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_basic_linalg.F:1625:45: 1625 | IF (PRESENT(det_a)) det_a = determinant | ^ Warning: ‘determinant’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_fm_basic_linalg.mod' due to: cp_fm_basic_linalg.o /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_basic_linalg.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod kahan_sum.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_fm_elpa.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_elpa.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod message_passing.mod kinds.mod base_hooks.mod cp_fm_diag_utils.mod cp_fm_basic_linalg.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_elpa.F cp_fm_elpa.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_elpa.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_fm_elpa.mod' due to: cp_fm_elpa.o /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_elpa.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod message_passing.mod kinds.mod base_hooks.mod cp_fm_diag_utils.mod cp_fm_basic_linalg.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_fm_diag.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_diag.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_para_types.mod cp_fm_struct.mod machine.mod cp_blacs_env.mod cp_para_env.mod message_passing.mod cp_fm_cholesky.mod kinds.mod cp_blacs_calls.mod base_hooks.mod cp_fm_elpa.mod cp_fm_diag_utils.mod cp_fm_basic_linalg.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_fm_diag.F cp_fm_diag.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_fm_diag.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_cfm_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_cfm_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod message_passing.mod mathconstants.mod kinds.mod cp_blacs_calls.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_cfm_types.F cp_cfm_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_cfm_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_cfm_types.F:824:38: 824 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) | ^ Warning: ‘cp_cfm_to_cfm_triangular’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_cfm_types.mod' due to: cp_cfm_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_cfm_basic_linalg.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod kahan_sum.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:23:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_cfm_basic_linalg.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F:107:37: 107 | SUBROUTINE cp_cfm_schur_product_cc(matrix_a, matrix_b, matrix_c) | ^ Warning: ‘cp_cfm_schur_product_cc’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_cfm_basic_linalg.F:1285:28: 1285 | ALLOCATE (work(lwork)) | ^ Warning: ‘lwork’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_cfm_basic_linalg.mod' due to: cp_cfm_basic_linalg.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_cfm_diag.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_cfm_diag.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_cfm_basic_linalg.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/fm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_cfm_diag.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a' due to: cp_fm_cholesky.o cp_fm_pool_types.o cp_fm_struct.o cp_fm_diag_utils.o cp_fm_vect.o cp_blacs_calls.o cp_fm_diag.o cp_cfm_types.o cp_fm_elpa.o cp_linked_list_fm.o cp_cfm_basic_linalg.o cp_cfm_diag.o cp_blacs_env.o cp_fm_basic_linalg.o cp_fm_types.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a cp_fm_cholesky.o cp_fm_pool_types.o cp_fm_struct.o cp_fm_diag_utils.o cp_fm_vect.o cp_blacs_calls.o cp_fm_diag.o cp_cfm_types.o cp_fm_elpa.o cp_linked_list_fm.o cp_cfm_basic_linalg.o cp_cfm_diag.o cp_blacs_env.o cp_fm_basic_linalg.o cp_fm_types.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 't_c_g0.mod' due to: t_c_g0.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'gamma.mod' due to: gamma.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_operators_r12.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_operators_r12.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod t_c_g0.mod kinds.mod base_hooks.mod gamma.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_operators_r12.F ai_operators_r12.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_operators_r12.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_coulomb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod gamma.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_coulomb.F ai_coulomb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_coulomb.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_coulomb.F:1565:85: 1565 | fcz*v(coset(ax, ay, az), 1, cocz, n + 1) | ^ Warning: ‘rbp[2]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_coulomb.F:1709:91: 1709 | coset(0, by - 1, bz), cocy, n + 1) | ^ Warning: ‘rbp[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_coulomb.F:1756:87: 1756 | coset(0, by, bz), cocx, n + 1) | ^ Warning: ‘rbp[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_coulomb.mod' due to: ai_coulomb.o /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod gamma.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_coulomb_test.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_coulomb_test.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod orbital_pointers.mod kinds.mod base_hooks.mod ai_coulomb.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_coulomb_test.F ai_coulomb_test.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_coulomb_test.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_overlap_aabb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap_aabb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap_aabb.F ai_overlap_aabb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap_aabb.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'sto_ng.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/sto_ng.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/sto_ng.F sto_ng.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' sto_ng.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'sto_ng.mod' due to: sto_ng.o /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/sto_ng.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'basis_set_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod input_val_types.mod cp_para_types.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_parser_methods.mod cp_linked_list_input.mod memory_utilities.mod util.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod sto_ng.mod ai_coulomb.mod string_utilities.mod orbital_symbols.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F basis_set_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' basis_set_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:507:37: 507 | bout%name = bout%name//bad%name | 1 Warning: CHARACTER expression will be truncated in assignment (80/160) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:373:48: 373 | pbasis%name = basis_set%name//"_primitive" | 1 Warning: CHARACTER expression will be truncated in assignment (80/90) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2615:37: 2615 | ss = ss + sss*ca(i)*cb(j) | ^ Warning: ‘sss’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2391:63: 2391 | REAL(KIND=dp), DIMENSION(:), POINTER :: zet | ^ Warning: ‘zet.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2391:63: Warning: ‘zet.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2391:63: Warning: ‘zet.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2388:66: 2388 | INTEGER, DIMENSION(:), POINTER :: lq, nq | ^ Warning: ‘nq.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2388:66: Warning: ‘nq.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2388:66: Warning: ‘nq.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2388:62: 2388 | INTEGER, DIMENSION(:), POINTER :: lq, nq | ^ Warning: ‘lq.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2388:62: Warning: ‘lq.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2388:62: Warning: ‘lq.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2388:62: Warning: ‘lq.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2388:62: Warning: ‘lq.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F:2412:31: 2412 | gto_basis_set%nset = nset | ^ Warning: ‘nshell’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'basis_set_types.mod' due to: basis_set_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod input_val_types.mod cp_para_types.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_parser_methods.mod cp_linked_list_input.mod memory_utilities.mod util.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod sto_ng.mod ai_coulomb.mod string_utilities.mod orbital_symbols.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'basis_set_container_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_container_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_container_types.F basis_set_container_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' basis_set_container_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/basis_set_container_types.F:198:38: 198 | DO i = ibas + 1, SIZE(container) | ^ Warning: ‘ibas’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_os_rr.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_os_rr.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod gamma.mod orbital_pointers.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_os_rr.F ai_os_rr.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_os_rr.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_os_rr.mod' due to: ai_os_rr.o /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_os_rr.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod gamma.mod orbital_pointers.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_elec_field.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_elec_field.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod ai_os_rr.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_elec_field.F ai_elec_field.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_elec_field.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_overlap.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_transformation_matrices.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod ai_os_rr.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap.F ai_overlap.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap.F:1364:26: 1364 | SUBROUTINE overlap_aaab(la1_max, la1_min, npgfa1, rpgfa1, zeta1, & | ^ Warning: ‘overlap_aaab’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap.F:1568:26: 1568 | SUBROUTINE overlap_aabb(la1_max, la1_min, npgfa1, rpgfa1, zeta1, & | ^ Warning: ‘overlap_aabb’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap.F:1776:26: 1776 | SUBROUTINE overlap_abbb(la_max, la_min, npgfa, rpgfa, zeta, & | ^ Warning: ‘overlap_abbb’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_verfc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_verfc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod gamma.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_verfc.F ai_verfc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_verfc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_overlap3_debug.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3_debug.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3_debug.F ai_overlap3_debug.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap3_debug.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_derivatives.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_derivatives.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod orbital_pointers.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_derivatives.F ai_derivatives.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:24:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_derivatives.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_overlap3.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F ai_overlap3.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap3.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc | ^ Warning: ‘sdc.dim[3].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: Warning: ‘sdc.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: Warning: ‘sdc.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:135:68: Warning: ‘sdc.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:1150:85: 1150 | fax*s(coamx, cob, coc) | ^ Warning: ‘sda.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc | ^ note: ‘sda.offset’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:1150:85: 1150 | fax*s(coamx, cob, coc) | ^ Warning: ‘sda.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc | ^ note: ‘sda.dim[2].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:1150:85: 1150 | fax*s(coamx, cob, coc) | ^ Warning: ‘sda.dim[3].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc | ^ note: ‘sda.dim[3].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap3.F:135:63: Warning: ‘sda.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_contraction_sphi.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_contraction_sphi.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_contraction_sphi.F ai_contraction_sphi.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_contraction_sphi.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_overlap.mod' due to: ai_overlap.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_derivatives.mod' due to: ai_derivatives.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_moments.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_moments.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod ai_overlap.mod mathconstants.mod kinds.mod base_hooks.mod ai_derivatives.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_moments.F ai_moments.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_moments.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_moments.F:883:46: 883 | s(1, 1, l) = rpc(i)*s(1, 1, l1) | ^ Warning: ‘l1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_moments.F:883:46: Warning: ‘i’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_eri_debug.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_eri_debug.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod gamma.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_eri_debug.F ai_eri_debug.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_eri_debug.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_eri_debug.F:56:21: 56 | SUBROUTINE init_os(ya, yb, yc, yd, rA, rB, rC, rD) | ^ Warning: ‘init_os’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'soft_basis_set.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/soft_basis_set.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_pointers.mod memory_utilities.mod kinds.mod base_hooks.mod orbital_symbols.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/soft_basis_set.F soft_basis_set.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' soft_basis_set.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_angmom.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_angmom.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_angmom.F ai_angmom.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_angmom.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_kinetic.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_kinetic.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod ai_os_rr.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_kinetic.F ai_kinetic.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_kinetic.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_kinetic.F:73:77: 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & | ^ Warning: ‘idz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_kinetic.F:73:72: 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & | ^ Warning: ‘idy’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_kinetic.F:73:67: 73 | ib, idx, idy, idz, ipgf, jpgf, la, lb, & | ^ Warning: ‘idx’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_overlap_debug.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap_debug.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap_debug.F ai_overlap_debug.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap_debug.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_oneelectron.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_oneelectron.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod orbital_pointers.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_oneelectron.F ai_oneelectron.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_oneelectron.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_oneelectron.mod' due to: ai_oneelectron.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_overlap_debug.mod' due to: ai_overlap_debug.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_overlap_ppl.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap_ppl.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 ai_oneelectron.mod ai_overlap_debug.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_overlap_ppl.F ai_overlap_ppl.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_overlap_ppl.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'aux_basis_set.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/aux_basis_set.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_pointers.mod kinds.mod base_hooks.mod lapack.mod orbital_symbols.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/aux_basis_set.F aux_basis_set.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' aux_basis_set.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_fermi_contact.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_fermi_contact.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_fermi_contact.F ai_fermi_contact.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_fermi_contact.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_spin_orbit.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_spin_orbit.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod ai_os_rr.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_spin_orbit.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_onecenter.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F ai_onecenter.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_onecenter.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F:798:22: 798 | SUBROUTINE sto_conf(gmat, rc, k, na, pa, nb, pb) | ^ Warning: ‘sto_conf’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F:870:25: 870 | SUBROUTINE num_overlap(smat, ra, rb, wr) | ^ Warning: ‘num_overlap’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F:907:25: 907 | SUBROUTINE num_kinetic(kmat, l, ra, dra, rb, drb, r, wr) | ^ Warning: ‘num_kinetic’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F:943:25: 943 | SUBROUTINE num_nuclear(umat, ra, rb, r, wr) | ^ Warning: ‘num_nuclear’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F:980:24: 980 | SUBROUTINE num_kinnuc(umat, l, ra, dra, rb, drb, r, wr) | ^ Warning: ‘num_kinnuc’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F:1017:21: 1017 | SUBROUTINE num_erf(upmat, a, ra, rb, r, wr) | ^ Warning: ‘num_erf’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F:1062:25: 1062 | SUBROUTINE num_proj_ol(spmat, l, ra, k, rc, r, wr) | ^ Warning: ‘num_proj_ol’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F:1110:22: 1110 | SUBROUTINE num_gpot(vpmat, k, rc, ra, rb, r, wr) | ^ Warning: ‘num_gpot’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_onecenter.F:1156:22: 1156 | SUBROUTINE num_conf(gmat, rc, k, ra, rb, r, wr) | ^ Warning: ‘num_conf’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_contraction.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_contraction.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_contraction.F ai_contraction.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_contraction.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_contraction.F:84:88: 84 | INTEGER :: lda, ldb, ldq, lds, ldw, mal, mbl, nal, & | ^ Warning: ‘mal’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ai_operator_ra2m.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_operator_ra2m.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod ai_os_rr.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/ai_operator_ra2m.F ai_operator_ra2m.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/aobasis/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ai_operator_ra2m.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a' due to: ai_operators_r12.o ai_coulomb_test.o ai_overlap_aabb.o basis_set_container_types.o ai_elec_field.o ai_overlap.o ai_os_rr.o ai_verfc.o ai_overlap3_debug.o sto_ng.o ao_util.o ai_derivatives.o ai_overlap3.o ai_contraction_sphi.o orbital_symbols.o ai_moments.o ai_coulomb.o ai_eri_debug.o soft_basis_set.o ai_angmom.o ai_kinetic.o ai_overlap_debug.o ai_oneelectron.o orbital_pointers.o ai_overlap_ppl.o basis_set_types.o orbital_transformation_matrices.o aux_basis_set.o ai_fermi_contact.o ai_spin_orbit.o ai_onecenter.o ai_contraction.o ai_operator_ra2m.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a ai_operators_r12.o ai_coulomb_test.o ai_overlap_aabb.o basis_set_container_types.o ai_elec_field.o ai_overlap.o ai_os_rr.o ai_verfc.o ai_overlap3_debug.o sto_ng.o ao_util.o ai_derivatives.o ai_overlap3.o ai_contraction_sphi.o orbital_symbols.o ai_moments.o ai_coulomb.o ai_eri_debug.o soft_basis_set.o ai_angmom.o ai_kinetic.o ai_overlap_debug.o ai_oneelectron.o orbital_pointers.o ai_overlap_ppl.o basis_set_types.o orbital_transformation_matrices.o aux_basis_set.o ai_fermi_contact.o ai_spin_orbit.o ai_onecenter.o ai_contraction.o ai_operator_ra2m.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_parsing.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_parsing.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_parser_types.mod input_val_types.mod input_enumeration_types.mod cp_units.mod cp_linked_list_input.mod cp_parser_methods.mod kinds.mod base_hooks.mod string_utilities.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input/input_parsing.F input_parsing.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/input/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_parsing.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a' due to: cp_parser_buffer_types.o cp_parser_methods.o input_enumeration_types.o cp_parser_status_types.o input_parsing.o cp_output_handling.o cp_parser_inpp_types.o input_val_types.o cp_linked_list_input.o cp_parser_inpp_methods.o input_section_types.o cp_parser_ilist_types.o cp_parser_types.o cp_parser_ilist_methods.o input_keyword_types.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a cp_parser_buffer_types.o cp_parser_methods.o input_enumeration_types.o cp_parser_status_types.o input_parsing.o cp_output_handling.o cp_parser_inpp_types.o input_val_types.o cp_linked_list_input.o cp_parser_inpp_methods.o input_section_types.o cp_parser_ilist_types.o cp_parser_types.o cp_parser_ilist_methods.o input_keyword_types.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_linked_list_pw.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/cp_linked_list_pw.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_linked_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod pw_types.mod cp_array_utils.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/cp_linked_list_pw.F cp_linked_list_pw.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_linked_list_pw.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_linked_list_pw.mod' due to: cp_linked_list_pw.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/cp_linked_list_pw.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_linked_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod pw_types.mod cp_array_utils.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_pool_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_pool_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod cp_linked_list_pw.mod kinds.mod base_hooks.mod timings.mod pw_methods.mod pw_grids.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_pool_types.F pw_pool_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_pool_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_pool_types.mod' due to: pw_pool_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_pool_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod cp_linked_list_pw.mod kinds.mod base_hooks.mod timings.mod pw_methods.mod pw_grids.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dielectric_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dielectric_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dielectric_types.F dielectric_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dielectric_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dct.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod message_passing.mod kinds.mod base_hooks.mod pw_grids.mod fast.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F dct.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dct.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:459:59: 459 | ALLOCATE (srcs_expand_all(maxn_sendrecv, group_size)) | ^ Warning: ‘maxn_sendrecv’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:1109:46: 1109 | ALLOCATE (pcs_bnds(2, 3, maxn_sendrecv)) | ^ Warning: ‘maxn_sendrecv’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:1118:63: 1118 | bounds_shftd(:, 3) = bounds(:, 3) + shf_yesno(3)*shift(3) | ^ Warning: ‘shf_yesno[2]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:1117:63: 1117 | bounds_shftd(:, 2) = bounds(:, 2) + shf_yesno(2)*shift(2) | ^ Warning: ‘shf_yesno[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:1116:63: 1116 | bounds_shftd(:, 1) = bounds(:, 1) + shf_yesno(1)*shift(1) | ^ Warning: ‘shf_yesno[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:562:67: 562 | ALLOCATE (recv_reqs(maxn_sendrecv), send_reqs(maxn_sendrecv)) | ^ Warning: ‘maxn_sendrecv’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:675:53: 675 | cr3d_xpndd(:, :, ind:ub3_new) = catd_flipdbf | ^ Warning: ‘ind’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:216:42: 216 | ALLOCATE (flipg_stat(maxn_sendrecv)) | ^ Warning: ‘maxn_sendrecv’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:229:44: 229 | hmat2(3, 3) = scfac(3)*cell_hmat(3, 3) | ^ Warning: ‘scfac[2]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:228:44: 228 | hmat2(2, 2) = scfac(2)*cell_hmat(2, 2) | ^ Warning: ‘scfac[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:227:44: 227 | hmat2(1, 1) = scfac(1)*cell_hmat(1, 1) | ^ Warning: ‘scfac[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dct.F:113:50: 113 | ALLOCATE (dct_env%flipg_stat(maxn_sendrecv)) | ^ Warning: ‘maxn_sendrecv’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'structure_factors.mod' due to: structure_factors.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dgs.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dgs.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod pw_types.mod pw_grid_types.mod pw_grid_info.mod mathlib.mod fft_tools.mod kinds.mod base_hooks.mod structure_factors.mod pw_grids.mod fast.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dgs.F dgs.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:25:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dgs.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ps_wavelet_fft3d.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_fft3d.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_fft3d.F ps_wavelet_fft3d.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_fft3d.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ps_wavelet_fft3d.mod' due to: ps_wavelet_fft3d.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_fft3d.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ps_wavelet_base.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_base.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod ps_wavelet_fft3d.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_base.F ps_wavelet_base.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_base.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_base.F:2103:31: 2103 | SUBROUTINE F_unfill_downcorn(md1, md3, lot, nfft, n3, zw, zf, scal, ehartreetmp) | ^ Warning: ‘f_unfill_downcorn’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ps_wavelet_base.mod' due to: ps_wavelet_base.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_base.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod ps_wavelet_fft3d.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ps_wavelet_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod kinds.mod base_hooks.mod ps_wavelet_fft3d.mod ps_wavelet_base.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_util.F ps_wavelet_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_util.F:155:58: 155 | DO i2 = istart + 1, MIN(nlim, istart + md2/nproc) | ^ Warning: ‘nlim’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ps_wavelet_util.mod' due to: ps_wavelet_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod mathconstants.mod kinds.mod base_hooks.mod ps_wavelet_fft3d.mod ps_wavelet_base.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lazy.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/lazy.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/lazy.F lazy.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lazy.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lazy.mod' due to: lazy.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/lazy.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ps_wavelet_scaling_function.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod lazy.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F ps_wavelet_scaling_function.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_scaling_function.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F:92:30: 92 | SUBROUTINE wavelet_function(itype, nd, a, x) | ^ Warning: ‘wavelet_function’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F:196:23: 196 | SUBROUTINE for_trans(nd, nt, x, y, m, cgt, cht) | ^ Warning: ‘for_trans’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F:296:19: 296 | SUBROUTINE ftest(m, ch, cg, cgt, cht) | ^ Warning: ‘ftest’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ps_wavelet_scaling_function.mod' due to: ps_wavelet_scaling_function.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_scaling_function.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod lazy.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ps_wavelet_kernel.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_kernel.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 message_passing.mod kinds.mod ps_wavelet_fft3d.mod ps_wavelet_util.mod base_hooks.mod ps_wavelet_scaling_function.mod ps_wavelet_base.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_kernel.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dirichlet_bc_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dirichlet_bc_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dirichlet_bc_types.F dirichlet_bc_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dirichlet_bc_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dirichlet_bc_types.mod' due to: dirichlet_bc_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dirichlet_bc_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_pool_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dielectric_types.mod' due to: dielectric_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dct.mod' due to: dct.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ps_implicit_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_implicit_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dirichlet_bc_types.mod pw_types.mod dielectric_types.mod pw_pool_types.mod kinds.mod base_hooks.mod dct.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_implicit_types.F ps_implicit_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_implicit_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ps_implicit_types.mod' due to: ps_implicit_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_implicit_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dirichlet_bc_types.mod pw_types.mod dielectric_types.mod pw_pool_types.mod kinds.mod base_hooks.mod dct.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ps_wavelet_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_types.F ps_wavelet_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ps_wavelet_types.mod' due to: ps_wavelet_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'bessel_lib.mod' due to: bessel_lib.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mt_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/mt_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod pw_pool_types.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod pw_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/mt_util.F mt_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mt_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mt_util.mod' due to: mt_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/mt_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod pw_pool_types.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod pw_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_poisson_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_poisson_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dirichlet_bc_types.mod realspace_grid_types.mod pw_types.mod ps_implicit_types.mod ps_wavelet_types.mod dielectric_types.mod pw_grid_types.mod pw_pool_types.mod bessel_lib.mod mathconstants.mod kinds.mod base_hooks.mod pw_grids.mod mt_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_poisson_types.F pw_poisson_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_poisson_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_poisson_types.F:445:29: 445 | SUBROUTINE pw_green_retain(gftype) | ^ Warning: ‘pw_green_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_poisson_types.mod' due to: pw_poisson_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_poisson_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dirichlet_bc_types.mod realspace_grid_types.mod pw_types.mod ps_implicit_types.mod ps_wavelet_types.mod dielectric_types.mod pw_grid_types.mod pw_pool_types.mod bessel_lib.mod mathconstants.mod kinds.mod base_hooks.mod pw_grids.mod mt_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ps_wavelet_kernel.mod' due to: ps_wavelet_kernel.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ps_wavelet_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod ps_wavelet_types.mod pw_types.mod pw_grid_types.mod message_passing.mod util.mod kinds.mod bibliography.mod base_hooks.mod ps_wavelet_util.mod ps_wavelet_kernel.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_wavelet_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dg_rho0_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dg_rho0_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod pw_types.mod pw_grid_types.mod kinds.mod base_hooks.mod pw_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dg_rho0_types.F dg_rho0_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dg_rho0_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rs_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/rs_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod pw_types.mod pw_grid_types.mod pw_pool_types.mod kinds.mod base_hooks.mod pw_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/rs_methods.F rs_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rs_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dg_rho0_types.mod' due to: dg_rho0_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dg_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dg_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dg_rho0_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dg_types.F dg_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dg_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'realspace_grid_cube.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/realspace_grid_cube.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod message_passing.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' realspace_grid_cube.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/realspace_grid_cube.F:771:65: 771 | IF (MODULO(counter, num_entries_line) == 0 .OR. k == last_z) & | ^ Warning: ‘last_z’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/realspace_grid_cube.F:642:97: 642 | INTEGER :: counter, gid, i, islice, j, k, last_z, & | ^ note: ‘last_z’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_spline_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_spline_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod pw_grid_types.mod pw_pool_types.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_spline_utils.F pw_spline_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_spline_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_spline_utils.F:2620:38: 2620 | SUBROUTINE pw_spline_precond_retain(preconditioner) | ^ Warning: ‘pw_spline_precond_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_spline_utils.F:953:87: 953 | weights(i, j, k) = REAL(idirVal, dp)*coeffs(ABS(i) + ABS(j) + ABS(k)) | ^ Warning: ‘idirval’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rs_methods.mod' due to: rs_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dielectric_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dielectric_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod pw_types.mod dielectric_types.mod pw_grid_types.mod pw_pool_types.mod mathconstants.mod kinds.mod base_hooks.mod rs_methods.mod pw_methods.mod dct.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dielectric_methods.F dielectric_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dielectric_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dielectric_methods.mod' due to: dielectric_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dirichlet_bc_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dirichlet_bc_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dirichlet_bc_types.mod pw_poisson_types.mod pw_types.mod ps_implicit_types.mod pw_grid_types.mod pw_pool_types.mod mathlib.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod rs_methods.mod physcon.mod pw_methods.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dirichlet_bc_methods.F dirichlet_bc_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dirichlet_bc_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dirichlet_bc_methods.F:899:13: 899 | IF (h .GT. MINVAL((/Lx, Lz/))) THEN | ^ Warning: ‘h’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dirichlet_bc_methods.F:814:89: 814 | REAL(dp) :: cntrlaxis_lb, cntrlaxis_ub, h, Lx, Ly, & | ^ note: ‘h’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dirichlet_bc_methods.mod' due to: dirichlet_bc_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw/dirichlet_bc_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dirichlet_bc_types.mod pw_poisson_types.mod pw_types.mod ps_implicit_types.mod pw_grid_types.mod pw_pool_types.mod mathlib.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod rs_methods.mod physcon.mod pw_methods.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ps_implicit_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_implicit_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dirichlet_bc_types.mod pw_poisson_types.mod pw_types.mod ps_implicit_types.mod dielectric_types.mod pw_grid_types.mod pw_pool_types.mod message_passing.mod dielectric_methods.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod kahan_sum.mod dirichlet_bc_methods.mod pw_methods.mod dct.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_implicit_methods.F ps_implicit_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:26:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ps_implicit_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_implicit_methods.F:1199:87: 1199 | CALL pw_scale(pw_in, 1.0_dp/(vol_scfac*tile_volume)) ! normalize tile_pw | ^ Warning: ‘vol_scfac’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_implicit_methods.F:958:92: 958 | CALL ps_implicit_report_ehartree(ps_implicit_env, outp_unit, ehartree/vol_scfac) | ^ Warning: ‘vol_scfac’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw/ps_implicit_methods.F:433:57: 433 | ps_implicit_env%ehartree = ehartree/vol_scfac | ^ Warning: ‘vol_scfac’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ps_wavelet_methods.mod' due to: ps_wavelet_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ps_implicit_methods.mod' due to: ps_implicit_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_poisson_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_poisson_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod pw_types.mod ps_implicit_types.mod ps_wavelet_types.mod pw_grid_types.mod pw_pool_types.mod ps_wavelet_methods.mod dielectric_methods.mod mathconstants.mod kinds.mod base_hooks.mod ps_implicit_methods.mod pw_methods.mod pw_grids.mod mt_util.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw/pw_poisson_methods.F pw_poisson_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_poisson_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a' due to: dielectric_types.o dct.o dgs.o ps_wavelet_kernel.o fft_tools.o ps_wavelet_methods.o dg_rho0_types.o rs_methods.o cube_utils.o pw_methods.o dg_types.o mt_util.o lazy.o pw_types.o realspace_grid_cube.o ps_wavelet_types.o pw_grid_info.o pw_spline_utils.o dielectric_methods.o ps_wavelet_fft3d.o pw_grids.o realspace_grid_types.o pw_grid_types.o ps_wavelet_scaling_function.o pw_pool_types.o ps_implicit_types.o pw_fpga.o ps_wavelet_base.o ps_implicit_methods.o cp_linked_list_pw.o dirichlet_bc_types.o pw_poisson_methods.o pw_cuda.o fast.o pw_poisson_types.o ps_wavelet_util.o dirichlet_bc_methods.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a dielectric_types.o dct.o dgs.o ps_wavelet_kernel.o fft_tools.o ps_wavelet_methods.o dg_rho0_types.o rs_methods.o cube_utils.o pw_methods.o dg_types.o mt_util.o lazy.o pw_types.o realspace_grid_cube.o ps_wavelet_types.o pw_grid_info.o pw_spline_utils.o dielectric_methods.o ps_wavelet_fft3d.o pw_grids.o realspace_grid_types.o pw_grid_types.o ps_wavelet_scaling_function.o pw_pool_types.o ps_implicit_types.o pw_fpga.o ps_wavelet_base.o ps_implicit_methods.o cp_linked_list_pw.o dirichlet_bc_types.o pw_poisson_methods.o pw_cuda.o fast.o pw_poisson_types.o ps_wavelet_util.o dirichlet_bc_methods.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a' due to: fft_kinds.o fftsg_lib.o fft_plan.o fft_lib.o fftw3_lib.o mltfftsg_tools.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a fft_kinds.o fftsg_lib.o fft_plan.o fft_lib.o fftw3_lib.o mltfftsg_tools.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'fft_fpga.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fpga/fft_fpga.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fpga/fft_fpga.h /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fpga/opencl_utils.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fpga/fft_fpga.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'opencl_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fpga/opencl_utils.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/pw/fpga/opencl_utils.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a' due to: fft_fpga.o opencl_utils.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a fft_fpga.o opencl_utils.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:151: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/grid_miniapp.psmp' due to: grid_miniapp.o /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/grid_miniapp.psmp grid_miniapp.o -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kcommon -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'grid_unittest.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_unittest.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_constants.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_replay.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_library.h /build/cp2k-6PcaEs/cp2k-8.1/src/grid/common/grid_sphere_cache.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/grid/grid_unittest.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:147: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/grid_unittest.psmp' due to: grid_unittest.o /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/grid_unittest.psmp grid_unittest.o -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kcommon -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'graph_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph_utils.F graph_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' graph_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'graph_utils.mod' due to: graph_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'graph_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 periodic_table.mod memory_utilities.mod kinds.mod base_hooks.mod cp_files.mod string_utilities.mod graph_utils.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph_methods.F graph_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' graph_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph_methods.F:499:94: 499 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(yy0 - avg2)*(dyy - davg2) | ^ Warning: ‘yy0’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph_methods.F:496:94: 496 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(xx0 - avg2)*(dxx - davg2) | ^ Warning: ‘xx0’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph_methods.F:174:65: 174 | array(ind) = MINVAL(-fes(pnt:pnt + dimval - 1)) | ^ Warning: ‘ind’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'graph_methods.mod' due to: graph_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 periodic_table.mod memory_utilities.mod kinds.mod base_hooks.mod cp_files.mod string_utilities.mod graph_utils.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'graph.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 graph_methods.mod mathconstants.mod kinds.mod base_hooks.mod cp_files.mod graph_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F graph.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' graph.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:658:28: 658 | out3 = out2//"." | 1 Warning: CHARACTER expression will be truncated in assignment (80/81) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:660:28: 660 | out3 = out1//"." | 1 Warning: CHARACTER expression will be truncated in assignment (80/81) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:496:39: 496 | READ (a, *) (ss0(i_map(id), i), id=1, ndim) | ^ Warning: ‘ss0.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:60:51: 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) | ^ Warning: ‘ss0.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:496:39: 496 | READ (a, *) (ss0(i_map(id), i), id=1, ndim) | ^ Warning: ‘ss0.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:59:53: 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & | ^ Warning: ‘dp_cut.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:49:76: 49 | ngrid(:), nn(:, :), nn_max(:), & | ^ Warning: ‘nn_max.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:60:67: 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) | ^ Warning: ‘ww.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:59:42: 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & | ^ Warning: ‘delta_s.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:59:42: Warning: ‘delta_s.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:505:43: 505 | READ (a, *) (delta_s(i_map(id), i), id=1, ndim) | ^ Warning: ‘delta_s.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:60:81: 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) | ^ Warning: ‘xf.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/metadyn_tools/graph.F:585:35: 585 | j = MINLOC((i_map - i)**2, 1) | ^ Warning: ‘i_map.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a' due to: graph_methods.o graph_utils.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a graph_methods.o graph_utils.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:123: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/graph.psmp' due to: graph.o /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/graph.psmp graph.o -lcp2kmetadyn_tools -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dumpdcd.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F dumpdcd.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dumpdcd.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F:710:118: 710 | WRITE (UNIT=output_unit, FMT=fmt_string) ADJUSTL(atomic_label(iatom)), s_pbc(iatom, 1:3) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&s_pbc].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F:84:77: 84 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r_pbc, r0, s, s_pbc | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&s_pbc].dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F:706:114: 706 | WRITE (UNIT=output_unit, FMT=fmt_string) ADJUSTL(atomic_label(iatom)), s(iatom, 1:3) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&s].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F:84:63: 84 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r_pbc, r0, s, s_pbc | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&r_pbc].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F:643:54: 643 | r(:, :) = REAL(r_pbc(:, :), KIND=sp) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&r_pbc].dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F:84:63: 84 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r_pbc, r0, s, s_pbc | ^ Warning: ‘r_pbc.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F:652:87: 652 | (r(iatom, 3) - r0(iatom, 3))**2) | ^ Warning: ‘r0.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F:652:87: Warning: ‘r0.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dumpdcd.F:668:83: 668 | WRITE (UNIT=output_unit) REAL(atomic_displacement(:), KIND=sp) | ^ Warning: ‘atomic_displacement.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'splines_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/splines_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/splines_types.F splines_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' splines_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/splines_types.F:193:31: 193 | SUBROUTINE spline_env_retain(spline_env) | ^ Warning: ‘spline_env_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'splines_types.mod' due to: splines_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/splines_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'helium_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod cell_types.mod splines_types.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_types.F helium_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_types.F:383:41: 383 | SUBROUTINE helium_destroy_real_arr_ptr(real_arr_p) | ^ Warning: ‘helium_destroy_real_arr_ptr’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'global_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/global_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod machine.mod cp_blacs_env.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/global_types.F global_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' global_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'global_types.mod' due to: global_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/global_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod machine.mod cp_blacs_env.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_subsys_types.mod' due to: cp_subsys_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_constants.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_constants.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_constants.F input_constants.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_constants.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_constants.mod' due to: input_constants.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_constants.F kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dimer_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dimer_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod global_types.mod molecule_kind_types.mod cp_subsys_types.mod molecule_kind_list_types.mod input_constants.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dimer_types.F dimer_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dimer_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dimer_types.mod' due to: dimer_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dimer_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod global_types.mod molecule_kind_types.mod cp_subsys_types.mod molecule_kind_list_types.mod input_constants.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dimer_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dimer_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dimer_types.mod memory_utilities.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dimer_utils.F dimer_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dimer_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'simpar_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/simpar_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/simpar_types.F simpar_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' simpar_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'simpar_types.mod' due to: simpar_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/simpar_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dg_types.mod' due to: dg_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_spline_utils.mod' due to: pw_spline_utils.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_rsgrid.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_rsgrid.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod input_keyword_types.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_rsgrid.F input_cp2k_rsgrid.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_rsgrid.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_rsgrid.mod' due to: input_cp2k_rsgrid.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_rsgrid.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod input_keyword_types.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_poisson.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_poisson.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod dirichlet_bc_types.mod cell_types.mod pw_poisson_types.mod input_val_types.mod input_section_types.mod ps_implicit_types.mod multipole_types.mod dielectric_types.mod input_constants.mod base_hooks.mod cp_output_handling.mod bibliography.mod kinds.mod string_utilities.mod dct.mod cp_units.mod pw_spline_utils.mod input_cp2k_rsgrid.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_poisson.F input_cp2k_poisson.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_poisson.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_poisson.mod' due to: input_cp2k_poisson.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_poisson.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod dirichlet_bc_types.mod cell_types.mod pw_poisson_types.mod input_val_types.mod input_section_types.mod ps_implicit_types.mod multipole_types.mod dielectric_types.mod input_constants.mod base_hooks.mod cp_output_handling.mod bibliography.mod kinds.mod string_utilities.mod dct.mod cp_units.mod pw_spline_utils.mod input_cp2k_rsgrid.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ewald_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod input_keyword_types.mod cp_para_types.mod input_enumeration_types.mod pw_grid_info.mod cp_para_env.mod cp_units.mod cp_output_handling.mod input_cp2k_poisson.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_environment_types.F ewald_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewald_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ewald_environment_types.mod' due to: ewald_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod input_keyword_types.mod cp_para_types.mod input_enumeration_types.mod pw_grid_info.mod cp_para_env.mod cp_units.mod cp_output_handling.mod input_cp2k_poisson.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_realspace_grid_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_realspace_grid_init.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_realspace_grid_init.F cp_realspace_grid_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_realspace_grid_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_realspace_grid_init.mod' due to: cp_realspace_grid_init.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_realspace_grid_init.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dgs.mod' due to: dgs.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_poisson_read_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw_poisson_read_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dirichlet_bc_types.mod input_section_types.mod cell_types.mod pw_poisson_types.mod ps_wavelet_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw_poisson_read_input.F pw_poisson_read_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_poisson_read_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_poisson_read_input.mod' due to: pw_poisson_read_input.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw_poisson_read_input.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dirichlet_bc_types.mod input_section_types.mod cell_types.mod pw_poisson_types.mod ps_wavelet_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_poisson_methods.mod' due to: pw_poisson_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ewald_pw_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_pw_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod pw_grid_types.mod dg_types.mod cell_types.mod pw_poisson_types.mod pw_pool_types.mod input_section_types.mod realspace_grid_types.mod ewald_environment_types.mod cp_realspace_grid_init.mod dgs.mod base_hooks.mod ao_util.mod message_passing.mod cp_output_handling.mod kinds.mod pw_poisson_read_input.mod cp_log_handling.mod mathconstants.mod pw_grids.mod pw_poisson_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_pw_types.F ewald_pw_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewald_pw_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ewald_pw_types.mod' due to: ewald_pw_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_pw_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod pw_grid_types.mod dg_types.mod cell_types.mod pw_poisson_types.mod pw_pool_types.mod input_section_types.mod realspace_grid_types.mod ewald_environment_types.mod cp_realspace_grid_init.mod dgs.mod base_hooks.mod ao_util.mod message_passing.mod cp_output_handling.mod kinds.mod pw_poisson_read_input.mod cp_log_handling.mod mathconstants.mod pw_grids.mod pw_poisson_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pair_potential_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 splines_types.mod base_hooks.mod kinds.mod memory_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_types.F pair_potential_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pair_potential_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_types.F:817:69: 817 | INTEGER :: i, loc_lb, loc_ub | ^ Warning: ‘loc_lb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pair_potential_types.mod' due to: pair_potential_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 splines_types.mod base_hooks.mod kinds.mod memory_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'force_field_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/force_field_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 damping_dipole_types.mod force_field_kind_types.mod shell_potential_types.mod pair_potential_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/force_field_types.F force_field_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_field_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'force_field_types.mod' due to: force_field_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/force_field_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 damping_dipole_types.mod force_field_kind_types.mod shell_potential_types.mod pair_potential_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_types.F qmmm_gaussian_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_types.mod' due to: qmmm_gaussian_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_cdft_opt_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_opt_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod input_constants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_opt_types.F qs_cdft_opt_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_cdft_opt_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_cdft_opt_types.mod' due to: qs_cdft_opt_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_opt_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod input_constants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'outer_scf_control_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/outer_scf_control_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_cdft_opt_types.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/outer_scf_control_types.F outer_scf_control_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' outer_scf_control_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'outer_scf_control_types.mod' due to: outer_scf_control_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/outer_scf_control_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_cdft_opt_types.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hirshfeld_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hirshfeld_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod base_hooks.mod input_constants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hirshfeld_types.F hirshfeld_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hirshfeld_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hirshfeld_types.mod' due to: hirshfeld_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/hirshfeld_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod base_hooks.mod input_constants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_cdft_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_cdft_opt_types.mod cp_fm_types.mod outer_scf_control_types.mod hirshfeld_types.mod input_constants.mod cp_array_utils.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_types.F qs_cdft_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_cdft_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_types.F:501:33: 501 | SUBROUTINE cdft_control_retain(cdft_control) | ^ Warning: ‘cdft_control_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_cdft_types.mod' due to: qs_cdft_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_cdft_opt_types.mod cp_fm_types.mod outer_scf_control_types.mod hirshfeld_types.mod input_constants.mod cp_array_utils.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_control.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_control.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod memory_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_control.F xas_control.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_control.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xas_control.F:326:32: 326 | SUBROUTINE xas_control_retain(xas_control) | ^ Warning: ‘xas_control_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_control.mod' due to: xas_control.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_control.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod memory_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_control_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_cdft_types.mod cp_fm_types.mod pair_potential_types.mod xas_control.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_types.F cp_control_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_control_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_types.F:654:37: 654 | SUBROUTINE mulliken_control_retain(mulliken_restraint_control) | ^ Warning: ‘mulliken_control_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_types.F:717:34: 717 | SUBROUTINE ddapc_control_retain(ddapc_restraint_control) | ^ Warning: ‘ddapc_control_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_types.F:770:31: 770 | SUBROUTINE s2_control_retain(s2_restraint_control) | ^ Warning: ‘s2_control_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_control_types.mod' due to: cp_control_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_cdft_types.mod cp_fm_types.mod pair_potential_types.mod xas_control.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'paw_proj_set_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/paw_proj_set_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod basis_set_types.mod mathlib.mod orbital_transformation_matrices.mod orbital_pointers.mod memory_utilities.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod ao_util.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/paw_proj_set_types.F paw_proj_set_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' paw_proj_set_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'paw_proj_set_types.mod' due to: paw_proj_set_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/paw_proj_set_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod basis_set_types.mod mathlib.mod orbital_transformation_matrices.mod orbital_pointers.mod memory_utilities.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod ao_util.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_neighbor_list_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod util.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_list_types.F qs_neighbor_list_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_neighbor_list_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_list_types.F:334:28: 334 | iterator%nnode = nnode | ^ Warning: ‘nnode’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_list_types.F:339:45: 339 | iterator%neighbor_list => neighbor_list | ^ Warning: ‘neighbor_list’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_list_types.F:332:28: 332 | iterator%nlist = nlist | ^ Warning: ‘nlist’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_list_types.F:331:28: 331 | iterator%ilist = ilist | ^ Warning: ‘ilist’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_list_types.F:227:61: 227 | list_search(il)%atom_list(ilist) = iatom | ^ Warning: ‘iatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_neighbor_list_types.mod' due to: qs_neighbor_list_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod util.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dispersion_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod input_section_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_types.F qs_dispersion_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dispersion_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dispersion_types.mod' due to: qs_dispersion_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod input_section_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dftb_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_types.F qs_dftb_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dftb_types.mod' due to: qs_dftb_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xtb_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_types.F xtb_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xtb_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xtb_types.mod' due to: xtb_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'basis_set_container_types.mod' due to: basis_set_container_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_grid_atom.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_grid_atom.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_constants.mod memory_utilities.mod lebedev.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_grid_atom.F qs_grid_atom.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:27:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_grid_atom.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_grid_atom.mod' due to: qs_grid_atom.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_grid_atom.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_constants.mod memory_utilities.mod lebedev.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_upf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_upf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod cp_parser_methods.mod kinds.mod base_hooks.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_upf.F atom_upf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_upf.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atom_upf.F:519:33: 519 | ALLOCATE (pot%rab(m)) | ^ Warning: ‘m’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_upf.F:447:69: 447 | INTEGER :: icount, m, mc, ms | ^ note: ‘m’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_upf.mod' due to: atom_upf.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_upf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod cp_parser_methods.mod kinds.mod base_hooks.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod input_val_types.mod bessel_lib.mod qs_grid_atom.mod input_constants.mod cp_parser_methods.mod cp_linked_list_input.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod periodic_table.mod atom_upf.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_types.F atom_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atom_types.F:2905:56: 2905 | potential%npot(l) = potential%npot(l) + 1 | ^ Warning: ‘l’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_types.mod' due to: atom_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod input_val_types.mod bessel_lib.mod qs_grid_atom.mod input_constants.mod cp_parser_methods.mod cp_linked_list_input.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod periodic_table.mod atom_upf.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_mpole_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_mpole_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_mpole_types.F semi_empirical_mpole_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_mpole_types.mod' due to: semi_empirical_mpole_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_mpole_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_expns3_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_expns3_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_expns3_types.F semi_empirical_expns3_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_expns3_types.mod' due to: semi_empirical_expns3_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_expns3_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'taper_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/taper_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/taper_types.F taper_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' taper_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'taper_types.mod' due to: taper_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/taper_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_mpole_types.mod input_section_types.mod semi_empirical_expns3_types.mod multipole_types.mod pw_pool_types.mod taper_types.mod dg_types.mod basis_set_types.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_types.F semi_empirical_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_types.F:456:26: 456 | SUBROUTINE set_se_param(sep, name, typ, defined, z, zeff, natorb, eheat, & | ^ Warning: ‘set_se_param’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_types.mod' due to: semi_empirical_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_mpole_types.mod input_section_types.mod semi_empirical_expns3_types.mod multipole_types.mod pw_pool_types.mod taper_types.mod dg_types.mod basis_set_types.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dftb_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_dftb_types.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_utils.F qs_dftb_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dftb_utils.mod' due to: qs_dftb_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_dftb_types.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'splines.mod' due to: splines.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_onecenter.mod' due to: ai_onecenter.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atom_types.mod basis_set_types.mod input_constants.mod orbital_pointers.mod orbital_transformation_matrices.mod splines.mod base_hooks.mod ai_onecenter.mod ao_util.mod qs_grid_atom.mod kinds.mod string_utilities.mod mathlib.mod ai_overlap.mod mathconstants.mod cp_files.mod kahan_sum.mod lapack.mod periodic_table.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_utils.F atom_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atom_utils.F:983:3: 983 | FUNCTION prune_grid(fun, deps) RESULT(nc) | ^ Warning: ‘prune_grid’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_utils.F:1723:74: 1723 | assoc_laguerre(z, REAL(nu, KIND=dp) + 0.5_dp, i - 1) | ^ Warning: ‘res’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_utils.F:2263:34: 2263 | r1 = atom%basis%grid%rad(m1) | ^ Warning: ‘m1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_utils.F:2268:10: 2268 | IF (spinpol) THEN | ^ Warning: ‘spinpol’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_utils.mod' due to: atom_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atom_types.mod basis_set_types.mod input_constants.mod orbital_pointers.mod orbital_transformation_matrices.mod splines.mod base_hooks.mod ai_onecenter.mod ao_util.mod qs_grid_atom.mod kinds.mod string_utilities.mod mathlib.mod ai_overlap.mod mathconstants.mod cp_files.mod kahan_sum.mod lapack.mod periodic_table.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'powell.mod' due to: powell.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_sgp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_sgp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod mathlib.mod input_constants.mod mathconstants.mod atom_utils.mod kinds.mod base_hooks.mod ai_onecenter.mod kahan_sum.mod powell.mod atom_upf.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_sgp.F atom_sgp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_sgp.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atom_sgp.F:544:13: 544 | IF (nl_trans) THEN | ^ Warning: ‘nl_trans’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_sgp.F:233:10: 233 | IF (do_transform) THEN | ^ Warning: ‘do_transform’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_sgp.F:234:13: 234 | IF (is_ecp) THEN | ^ Warning: ‘is_ecp’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_sgp.F:237:65: 237 | CALL upf_sgp_constr(upf_pot, sgp_pot, atom_ref%basis) | ^ Warning: ‘upf_pot’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_sgp.F:235:65: 235 | CALL ecp_sgp_constr(ecp_pot, sgp_pot, atom_ref%basis) | ^ Warning: ‘ecp_pot’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_sgp.F:162:25: 162 | error(3) = errcc | ^ Warning: ‘errcc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_sgp.mod' due to: atom_sgp.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_sgp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod mathlib.mod input_constants.mod mathconstants.mod atom_utils.mod kinds.mod base_hooks.mod ai_onecenter.mod kahan_sum.mod powell.mod atom_upf.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_harmonics_atom.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_harmonics_atom.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_transformation_matrices.mod orbital_pointers.mod memory_utilities.mod lebedev.mod kinds.mod base_hooks.mod spherical_harmonics.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_harmonics_atom.F qs_harmonics_atom.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_harmonics_atom.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_harmonics_atom.mod' due to: qs_harmonics_atom.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_harmonics_atom.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_transformation_matrices.mod orbital_pointers.mod memory_utilities.mod lebedev.mod kinds.mod base_hooks.mod spherical_harmonics.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_arrays.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_arrays.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_arrays.F semi_empirical_int_arrays.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_arrays.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_arrays.mod' due to: semi_empirical_int_arrays.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_arrays.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_par_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_par_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod mathlib.mod mathconstants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_par_utils.F semi_empirical_par_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_par_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_par_utils.F:985:10: 985 | IF (f1 >= f2) THEN | ^ Warning: ‘f2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_par_utils.F:985:10: Warning: ‘f1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_par_utils.F:282:28: 282 | END FUNCTION get_se_basis | ^ Warning: ‘n’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_par_utils.F:254:42: 254 | FUNCTION get_se_basis(sep, l) RESULT(n) | ^ note: ‘n’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_par_utils.mod' due to: semi_empirical_par_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_par_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod mathlib.mod mathconstants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_parameters.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_parameters.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod input_constants.mod semi_empirical_par_utils.mod kinds.mod base_hooks.mod periodic_table.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_parameters.F semi_empirical_parameters.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:28:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_parameters.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_parameters.mod' due to: semi_empirical_parameters.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_parameters.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod input_constants.mod semi_empirical_par_utils.mod kinds.mod base_hooks.mod periodic_table.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_mpole_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_mpole_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_mpole_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_par_utils.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:29:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_mpole_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_mpole_methods.mod' due to: semi_empirical_mpole_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_mpole_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_mpole_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_par_utils.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod semi_empirical_types.mod cp_control_types.mod basis_set_types.mod input_constants.mod semi_empirical_parameters.mod semi_empirical_par_utils.mod kinds.mod base_hooks.mod semi_empirical_mpole_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_utils.F semi_empirical_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:29:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_utils.mod' due to: semi_empirical_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod semi_empirical_types.mod cp_control_types.mod basis_set_types.mod input_constants.mod semi_empirical_parameters.mod semi_empirical_par_utils.mod kinds.mod base_hooks.mod semi_empirical_mpole_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'soft_basis_set.mod' due to: soft_basis_set.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xtb_parameters.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_parameters.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xtb_types.mod input_section_types.mod cp_control_types.mod cp_parser_types.mod input_val_types.mod cp_para_types.mod basis_set_types.mod cp_parser_methods.mod cp_linked_list_input.mod kinds.mod base_hooks.mod string_utilities.mod periodic_table.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_parameters.F xtb_parameters.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:29:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xtb_parameters.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_parameters.F:206:21: 206 | enam = aname | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xtb_parameters.mod' due to: xtb_parameters.o /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_parameters.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xtb_types.mod input_section_types.mod cp_control_types.mod cp_parser_types.mod input_val_types.mod cp_para_types.mod basis_set_types.mod cp_parser_methods.mod cp_linked_list_input.mod kinds.mod base_hooks.mod string_utilities.mod periodic_table.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_kind_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kind_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 paw_proj_set_types.mod cp_para_types.mod qs_dispersion_types.mod cp_control_types.mod qs_dftb_types.mod xtb_types.mod input_section_types.mod basis_set_container_types.mod atom_types.mod external_potential_types.mod basis_set_types.mod atomic_kind_types.mod semi_empirical_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod atom_upf.mod qs_grid_atom.mod cp_output_handling.mod qs_dftb_utils.mod atom_sgp.mod kinds.mod qs_harmonics_atom.mod string_utilities.mod cp_log_handling.mod mathconstants.mod semi_empirical_utils.mod soft_basis_set.mod xtb_parameters.mod periodic_table.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kind_types.F qs_kind_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:29:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_kind_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_kind_types.mod' due to: qs_kind_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kind_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 paw_proj_set_types.mod cp_para_types.mod qs_dispersion_types.mod cp_control_types.mod qs_dftb_types.mod xtb_types.mod input_section_types.mod basis_set_container_types.mod atom_types.mod external_potential_types.mod basis_set_types.mod atomic_kind_types.mod semi_empirical_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod atom_upf.mod qs_grid_atom.mod cp_output_handling.mod qs_dftb_utils.mod atom_sgp.mod kinds.mod qs_harmonics_atom.mod string_utilities.mod cp_log_handling.mod mathconstants.mod semi_empirical_utils.mod soft_basis_set.mod xtb_parameters.mod periodic_table.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'minimax_exp_k53.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_k53.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_k53.F minimax_exp_k53.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:29:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/minimax/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minimax_exp_k53.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'minimax_exp_k53.mod' due to: minimax_exp_k53.o /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_k53.F kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'minimax_exp_k15.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_k15.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_k15.F minimax_exp_k15.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:29:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/minimax/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minimax_exp_k15.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'minimax_exp_k15.mod' due to: minimax_exp_k15.o /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_k15.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'minimax_exp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 minimax_exp_k53.mod kinds.mod base_hooks.mod minimax_exp_k15.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp.F minimax_exp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:29:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/minimax/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minimax_exp.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'minimax_exp.mod' due to: minimax_exp.o /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 minimax_exp_k53.mod kinds.mod base_hooks.mod minimax_exp_k15.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eri_mme_gaussian.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_gaussian.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod minimax_exp.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:29:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_gaussian.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eri_mme_gaussian.mod' due to: eri_mme_gaussian.o /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_gaussian.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod minimax_exp.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eri_mme_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_util.F eri_mme_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:29:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eri_mme_util.mod' due to: eri_mme_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eri_mme_lattice_summation.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_unroll.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod kinds.mod eri_mme_gaussian.mod base_hooks.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:29:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_lattice_summation.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eri_mme_lattice_summation.mod' due to: eri_mme_lattice_summation.o /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_lattice_summation.F /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_unroll.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod mathconstants.mod kinds.mod eri_mme_gaussian.mod base_hooks.mod ao_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eri_mme_error_control.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_error_control.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod mathconstants.mod kinds.mod eri_mme_gaussian.mod base_hooks.mod eri_mme_lattice_summation.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_error_control.F eri_mme_error_control.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_error_control.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_error_control.F:357:40: 357 | zet_c = zet_b - gr*(zet_b - zet_a) | ^ Warning: ‘zet_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_error_control.F:357:40: Warning: ‘zet_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eri_mme_error_control.mod' due to: eri_mme_error_control.o /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_error_control.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod message_passing.mod mathconstants.mod kinds.mod eri_mme_gaussian.mod base_hooks.mod eri_mme_lattice_summation.mod ao_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eri_mme_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod mathlib.mod orbital_pointers.mod kinds.mod eri_mme_gaussian.mod base_hooks.mod eri_mme_util.mod eri_mme_error_control.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_types.F eri_mme_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eri_mme_types.mod' due to: eri_mme_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod mathlib.mod orbital_pointers.mod kinds.mod eri_mme_gaussian.mod base_hooks.mod eri_mme_util.mod eri_mme_error_control.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eri_mme_integrate.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_integrate.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 eri_mme_types.mod orbital_pointers.mod mathconstants.mod kinds.mod eri_mme_gaussian.mod base_hooks.mod eri_mme_lattice_summation.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_integrate.F eri_mme_integrate.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_integrate.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_integrate.F:718:39: 718 | /vol*mone_lb | ^ Warning: ‘s_g_0.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_integrate.F:332:65: 332 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: S_G_0 | ^ note: ‘s_g_0.dim[1].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_integrate.F:718:39: 718 | /vol*mone_lb | ^ Warning: ‘s_g_0.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_integrate.F:332:65: 332 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: S_G_0 | ^ note: ‘s_g_0.offset’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_integrate.F:93:63: 93 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: S_G | ^ Warning: ‘s_g.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_integrate.F:93:63: Warning: ‘s_g.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eri_mme_integrate.mod' due to: eri_mme_integrate.o /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_integrate.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 eri_mme_types.mod orbital_pointers.mod mathconstants.mod kinds.mod eri_mme_gaussian.mod base_hooks.mod eri_mme_lattice_summation.mod ao_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eri_mme_test.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_test.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod eri_mme_types.mod message_passing.mod orbital_pointers.mod eri_mme_integrate.mod mathconstants.mod kinds.mod eri_mme_gaussian.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_test.F eri_mme_test.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eri_mme_test.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_test.F:78:73: 78 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: I_diff, I_ref, I_test | ^ Warning: ‘i_ref.dim[3].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_test.F:78:73: Warning: ‘i_ref.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_test.F:78:73: Warning: ‘i_ref.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_test.F:78:73: Warning: ‘i_ref.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eri_mme_test.mod' due to: eri_mme_test.o /build/cp2k-6PcaEs/cp2k-8.1/src/eri_mme/eri_mme_test.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod eri_mme_types.mod message_passing.mod orbital_pointers.mod eri_mme_integrate.mod mathconstants.mod kinds.mod eri_mme_gaussian.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_eri_mme_interface.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_eri_mme_interface.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod cell_types.mod input_keyword_types.mod input_val_types.mod cp_para_types.mod eri_mme_types.mod basis_set_types.mod message_passing.mod orbital_pointers.mod eri_mme_test.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_eri_mme_interface.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_eri_mme_interface.mod' due to: cp_eri_mme_interface.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_eri_mme_interface.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod cell_types.mod input_keyword_types.mod input_val_types.mod cp_para_types.mod eri_mme_types.mod basis_set_types.mod message_passing.mod orbital_pointers.mod eri_mme_test.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_types_low.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_types_low.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod ewald_pw_types.mod pw_types.mod pw_grid_types.mod pw_pool_types.mod ewald_environment_types.mod force_field_types.mod qmmm_gaussian_types.mod input_constants.mod kinds.mod base_hooks.mod pw_grids.mod cp_eri_mme_interface.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_types_low.F qmmm_types_low.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_types_low.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_types_low.mod' due to: qmmm_types_low.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_types_low.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod ewald_pw_types.mod pw_types.mod pw_grid_types.mod pw_pool_types.mod ewald_environment_types.mod force_field_types.mod qmmm_gaussian_types.mod input_constants.mod kinds.mod base_hooks.mod pw_grids.mod cp_eri_mme_interface.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_efield_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_efield_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_efield_types.F fist_efield_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_efield_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_efield_types.mod' due to: fist_efield_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_efield_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'exclusion_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/exclusion_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/exclusion_types.F exclusion_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' exclusion_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'exclusion_types.mod' due to: exclusion_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/exclusion_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_neighbor_list_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_neighbor_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod exclusion_types.mod memory_utilities.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_neighbor_list_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_neighbor_list_types.mod' due to: fist_neighbor_list_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_neighbor_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod exclusion_types.mod memory_utilities.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_nonbond_env_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod pair_potential_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_nonbond_env_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_nonbond_env_types.mod' due to: fist_nonbond_env_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod pair_potential_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_energy_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_energy_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_energy_types.F fist_energy_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_energy_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_energy_types.mod' due to: fist_energy_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_energy_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod molecule_kind_list_types.mod fist_efield_types.mod input_section_types.mod ewald_pw_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod cp_result_types.mod cp_subsys_types.mod particle_list_types.mod fist_energy_types.mod multipole_types.mod atomic_kind_list_types.mod exclusion_types.mod atomic_kind_types.mod ewald_environment_types.mod base_hooks.mod cp_para_env.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_environment_types.F fist_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_environment_types.mod' due to: fist_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod molecule_kind_list_types.mod fist_efield_types.mod input_section_types.mod ewald_pw_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod cp_result_types.mod cp_subsys_types.mod particle_list_types.mod fist_energy_types.mod multipole_types.mod atomic_kind_list_types.mod exclusion_types.mod atomic_kind_types.mod ewald_environment_types.mod base_hooks.mod cp_para_env.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_fm_pool_types.mod' due to: cp_fm_pool_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'distribution_2d_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/distribution_2d_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod cp_blacs_env.mod cp_array_utils.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/distribution_2d_types.F distribution_2d_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' distribution_2d_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'distribution_2d_types.mod' due to: distribution_2d_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/distribution_2d_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod cp_blacs_env.mod cp_array_utils.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_operations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_operations.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod distribution_2d_types.mod cp_fm_types.mod cp_fm_struct.mod mathlib.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_dbcsr_operations.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_operations.mod' due to: cp_dbcsr_operations.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_operations.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod distribution_2d_types.mod cp_fm_types.mod cp_fm_struct.mod mathlib.mod cp_blacs_env.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_mo_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_fm_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_types.F qs_mo_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mo_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_mo_types.mod' due to: qs_mo_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_fm_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_matrix_pools.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_matrix_pools.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_struct.mod cp_blacs_env.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_matrix_pools.F qs_matrix_pools.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_matrix_pools.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_matrix_pools.mod' due to: qs_matrix_pools.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_matrix_pools.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_struct.mod cp_blacs_env.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_fm_vect.mod' due to: cp_fm_vect.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rt_propagation_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rt_propagation_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod qs_mo_types.mod cp_fm_types.mod cp_fm_struct.mod qs_matrix_pools.mod cp_fm_vect.mod cp_dbcsr_operations.mod bibliography.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rt_propagation_types.F rt_propagation_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rt_propagation_types.mod' due to: rt_propagation_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/rt_propagation_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod qs_mo_types.mod cp_fm_types.mod cp_fm_struct.mod qs_matrix_pools.mod cp_fm_vect.mod cp_dbcsr_operations.mod bibliography.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_loc_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod cp_para_types.mod cp_fm_types.mod cp_para_env.mod cp_array_utils.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_types.F qs_loc_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_loc_types.mod' due to: qs_loc_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod cp_para_types.mod cp_fm_types.mod cp_para_env.mod cp_array_utils.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tensors_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tensors_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod distribution_2d_types.mod basis_set_types.mod cp_para_env.mod cp_blacs_env.mod message_passing.mod cp_array_utils.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tensors_types.F qs_tensors_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tensors_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tensors_types.mod' due to: qs_tensors_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tensors_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod distribution_2d_types.mod basis_set_types.mod cp_para_env.mod cp_blacs_env.mod message_passing.mod cp_array_utils.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_interactions.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_interactions.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod cp_control_types.mod external_potential_types.mod paw_proj_set_types.mod atomic_kind_types.mod basis_set_types.mod string_utilities.mod cp_units.mod cp_output_handling.mod kinds.mod base_hooks.mod ao_util.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_interactions.F qs_interactions.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_interactions.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_interactions.mod' due to: qs_interactions.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_interactions.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod cp_control_types.mod external_potential_types.mod paw_proj_set_types.mod atomic_kind_types.mod basis_set_types.mod string_utilities.mod cp_units.mod cp_output_handling.mod kinds.mod base_hooks.mod ao_util.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_integral_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integral_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod base_hooks.mod orbital_pointers.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integral_utils.F qs_integral_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_integral_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_integral_utils.mod' due to: qs_integral_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integral_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod base_hooks.mod orbital_pointers.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'libint_wrapper.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/libint_wrapper.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/libint_wrapper.F libint_wrapper.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' libint_wrapper.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'libint_wrapper.mod' due to: libint_wrapper.o /build/cp2k-6PcaEs/cp2k-8.1/src/libint_wrapper.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 orbital_pointers.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_helpers.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_helpers.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_helpers.F hfx_helpers.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_helpers.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_helpers.mod' due to: hfx_helpers.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_helpers.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_ff_fist.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_ff_fist.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_ff_fist.F qmmm_ff_fist.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_ff_fist.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_ff_fist.mod' due to: qmmm_ff_fist.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_ff_fist.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'particle_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/particle_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod qs_kind_types.mod cell_types.mod input_section_types.mod external_potential_types.mod basis_set_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod cp_output_handling.mod kinds.mod string_utilities.mod cp_log_handling.mod mathlib.mod cp_units.mod memory_utilities.mod mathconstants.mod qmmm_ff_fist.mod util.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/particle_methods.F particle_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' particle_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'particle_methods.mod' due to: particle_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/particle_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod qs_kind_types.mod cell_types.mod input_section_types.mod external_potential_types.mod basis_set_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod cp_output_handling.mod kinds.mod string_utilities.mod cp_log_handling.mod mathlib.mod cp_units.mod memory_utilities.mod mathconstants.mod qmmm_ff_fist.mod util.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'aux_basis_set.mod' due to: aux_basis_set.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'auto_basis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/auto_basis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod orbital_pointers.mod mathconstants.mod kinds.mod bibliography.mod aux_basis_set.mod base_hooks.mod powell.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/auto_basis.F auto_basis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:33:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' auto_basis.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'auto_basis.mod' due to: auto_basis.o /build/cp2k-6PcaEs/cp2k-8.1/src/auto_basis.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod orbital_pointers.mod mathconstants.mod kinds.mod bibliography.mod aux_basis_set.mod base_hooks.mod powell.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'libint_2c_3c.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/libint_2c_3c.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_constants.mod orbital_pointers.mod mathconstants.mod kinds.mod t_c_g0.mod base_hooks.mod gamma.mod libint_wrapper.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/libint_2c_3c.F libint_2c_3c.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' libint_2c_3c.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'libint_2c_3c.mod' due to: libint_2c_3c.o /build/cp2k-6PcaEs/cp2k-8.1/src/libint_2c_3c.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_constants.mod orbital_pointers.mod mathconstants.mod kinds.mod t_c_g0.mod base_hooks.mod gamma.mod libint_wrapper.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_field.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_field.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_field.F input_cp2k_field.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_field.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_field.mod' due to: input_cp2k_field.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_field.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_mm.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_mm.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_kind_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_field.mod input_constants.mod cp_units.mod cp_output_handling.mod input_cp2k_poisson.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_mm.F input_cp2k_mm.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_mm.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_mm.mod' due to: input_cp2k_mm.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_mm.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_field_kind_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_field.mod input_constants.mod cp_units.mod cp_output_handling.mod input_cp2k_poisson.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_colvar.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_colvar.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod colvar_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_colvar.F input_cp2k_colvar.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_colvar.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_colvar.mod' due to: input_cp2k_colvar.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_colvar.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod colvar_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_subsys.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_subsys.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_mm.mod input_constants.mod cp_units.mod input_cp2k_colvar.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_subsys.F input_cp2k_subsys.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_subsys.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_subsys.mod' due to: input_cp2k_subsys.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_subsys.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_mm.mod input_constants.mod cp_units.mod input_cp2k_colvar.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_motion_print.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_motion_print.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_constants.mod cp_output_handling.mod input_cp2k_subsys.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_motion_print.F input_cp2k_motion_print.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_motion_print.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_motion_print.mod' due to: input_cp2k_motion_print.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_motion_print.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_constants.mod cp_output_handling.mod input_cp2k_subsys.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_loc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_loc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_mm.mod input_constants.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod input_cp2k_motion_print.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_loc.F input_cp2k_loc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_loc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_loc.mod' due to: input_cp2k_loc.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_loc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_mm.mod input_constants.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod input_cp2k_motion_print.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_hfx.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_hfx.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod input_cp2k_loc.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_hfx.F input_cp2k_hfx.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_hfx.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_hfx.mod' due to: input_cp2k_hfx.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_hfx.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod input_cp2k_loc.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod input_section_types.mod basis_set_container_types.mod basis_set_types.mod qs_tensors_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod message_passing.mod cp_output_handling.mod qs_interactions.mod bibliography.mod kinds.mod qs_integral_utils.mod string_utilities.mod libint_wrapper.mod cp_log_handling.mod machine.mod mathlib.mod cp_units.mod hfx_helpers.mod particle_methods.mod auto_basis.mod t_c_g0.mod cp_files.mod libint_2c_3c.mod input_cp2k_hfx.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_types.F hfx_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_types.mod' due to: hfx_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod input_section_types.mod basis_set_container_types.mod basis_set_types.mod qs_tensors_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod message_passing.mod cp_output_handling.mod qs_interactions.mod bibliography.mod kinds.mod qs_integral_utils.mod string_utilities.mod libint_wrapper.mod cp_log_handling.mod machine.mod mathlib.mod cp_units.mod hfx_helpers.mod particle_methods.mod auto_basis.mod t_c_g0.mod cp_files.mod libint_2c_3c.mod input_cp2k_hfx.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_rho_atom_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_atom_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_atom_types.F qs_rho_atom_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho_atom_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_rho_atom_types.mod' due to: qs_rho_atom_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_atom_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hartree_local_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hartree_local_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hartree_local_types.F hartree_local_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hartree_local_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hartree_local_types.mod' due to: hartree_local_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/hartree_local_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_atom_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'preconditioner_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod cp_para_env.mod cp_blacs_env.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_types.F preconditioner_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' preconditioner_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'preconditioner_types.mod' due to: preconditioner_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod cp_para_env.mod cp_blacs_env.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ot_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod cp_para_types.mod cp_fm_struct.mod cp_para_env.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod bibliography.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_types.F qs_ot_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ot_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ot_types.mod' due to: qs_ot_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod preconditioner_types.mod cp_para_types.mod cp_fm_struct.mod cp_para_env.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod bibliography.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_density_mixing_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_density_mixing_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod qs_rho_atom_types.mod input_constants.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod string_utilities.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_density_mixing_types.F qs_density_mixing_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_density_mixing_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_density_mixing_types.mod' due to: qs_density_mixing_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_density_mixing_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod qs_rho_atom_types.mod input_constants.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod string_utilities.mod ao_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_mom_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mom_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod bibliography.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mom_types.F qs_mom_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mom_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_mom_types.mod' due to: qs_mom_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mom_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod bibliography.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_almo.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_almo.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_constants.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_almo.F input_cp2k_almo.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_almo.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_almo.F:684:55: 684 | optimizer_type .EQ. optimizer_lin_eq_pcg .OR. & | ^ Warning: ‘optimizer_type’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_almo.mod' due to: input_cp2k_almo.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_almo.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_constants.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_tb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_tb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_mm.mod input_constants.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_tb.F input_cp2k_tb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_tb.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_tb.mod' due to: input_cp2k_tb.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_tb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_mm.mod input_constants.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_transport.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_transport.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_transport.F input_cp2k_transport.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_transport.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_transport.mod' due to: input_cp2k_transport.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_transport.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_spline_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/cp_spline_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod pw_pool_types.mod kinds.mod base_hooks.mod pw_methods.mod pw_spline_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/cp_spline_utils.F cp_spline_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_spline_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_spline_utils.mod' due to: cp_spline_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/cp_spline_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_types.mod pw_pool_types.mod kinds.mod base_hooks.mod pw_methods.mod pw_spline_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_kpoints.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_kpoints.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod bibliography.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_kpoints.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_kpoints.mod' due to: input_cp2k_kpoints.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_kpoints.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod kinds.mod bibliography.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'linesearch.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/linesearch.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/linesearch.F linesearch.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' linesearch.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/linesearch.F:321:32: 321 | this%step_size = step_size | ^ Warning: ‘step_size’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/linesearch.F:322:27: 322 | this%starts = is_done | ^ Warning: ‘is_done’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'linesearch.mod' due to: linesearch.o /build/cp2k-6PcaEs/cp2k-8.1/src/linesearch.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod linesearch.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_types.F pao_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_types.mod' due to: pao_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod linesearch.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod pao_types.mod input_val_types.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod linesearch.mod string_utilities.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_input.F pao_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pao_input.F:232:31: 232 | s = "GAUSSIAN_PROCESS" | 1 Warning: CHARACTER expression will be truncated in assignment (10/16) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_input.F:234:29: 234 | s = "NEURAL_NETWORK" | 1 Warning: CHARACTER expression will be truncated in assignment (10/14) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_input.mod' due to: pao_input.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_input.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod pao_types.mod input_val_types.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod linesearch.mod string_utilities.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_ls.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_ls.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod qs_density_mixing_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod pao_input.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_ls.F input_cp2k_ls.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_ls.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_ls.mod' due to: input_cp2k_ls.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_ls.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod qs_density_mixing_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod pao_input.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_distribution.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_distribution.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_constants.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_distribution.F input_cp2k_distribution.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_distribution.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_distribution.mod' due to: input_cp2k_distribution.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_distribution.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_constants.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod bibliography.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_input.F qs_fb_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_input.mod' due to: qs_fb_input.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_input.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod bibliography.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_external.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_external.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_external.F input_cp2k_external.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_external.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_external.mod' due to: input_cp2k_external.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_external.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_input_constants.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_input_constants.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_input_constants.F xc_input_constants.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_input_constants.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_input_constants.mod' due to: xc_input_constants.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_input_constants.F true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_mp2.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_mp2.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod input_cp2k_hfx.mod string_utilities.mod cp_eri_mme_interface.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_mp2.F input_cp2k_mp2.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_mp2.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_mp2.mod' due to: input_cp2k_mp2.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_mp2.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod input_cp2k_hfx.mod string_utilities.mod cp_eri_mme_interface.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_xc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_xc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod xc_input_constants.mod bibliography.mod kinds.mod base_hooks.mod input_cp2k_mp2.mod input_cp2k_hfx.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_xc.F input_cp2k_xc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_xc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_xc.mod' due to: input_cp2k_xc.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_xc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod xc_input_constants.mod bibliography.mod kinds.mod base_hooks.mod input_cp2k_mp2.mod input_cp2k_hfx.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_ec.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_ec.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod bibliography.mod kinds.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_ec.F input_cp2k_ec.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_ec.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_ec.mod' due to: input_cp2k_ec.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_ec.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod bibliography.mod kinds.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_dft.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_dft.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod qs_density_mixing_types.mod input_section_types.mod basis_set_types.mod qs_mom_types.mod input_constants.mod input_cp2k_almo.mod input_cp2k_tb.mod base_hooks.mod input_cp2k_transport.mod cp_spline_utils.mod input_cp2k_kpoints.mod input_cp2k_mm.mod cp_output_handling.mod bibliography.mod kinds.mod input_cp2k_ls.mod string_utilities.mod input_cp2k_distribution.mod qs_fb_input.mod cp_units.mod input_cp2k_poisson.mod input_cp2k_external.mod input_cp2k_motion_print.mod input_cp2k_xc.mod pw_spline_utils.mod pw_grids.mod input_cp2k_rsgrid.mod input_cp2k_field.mod input_cp2k_ec.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_dft.F input_cp2k_dft.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:34:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_dft.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_dft.F:6455:34: 6455 | SUBROUTINE create_rigpw_section(section) | ^ Warning: ‘create_rigpw_section’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_dft.mod' due to: input_cp2k_dft.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_dft.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod qs_density_mixing_types.mod input_section_types.mod basis_set_types.mod qs_mom_types.mod input_constants.mod input_cp2k_almo.mod input_cp2k_tb.mod base_hooks.mod input_cp2k_transport.mod cp_spline_utils.mod input_cp2k_kpoints.mod input_cp2k_mm.mod cp_output_handling.mod bibliography.mod kinds.mod input_cp2k_ls.mod string_utilities.mod input_cp2k_distribution.mod qs_fb_input.mod cp_units.mod input_cp2k_poisson.mod input_cp2k_external.mod input_cp2k_motion_print.mod input_cp2k_xc.mod pw_spline_utils.mod pw_grids.mod input_cp2k_rsgrid.mod input_cp2k_field.mod input_cp2k_ec.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'scf_control_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/scf_control_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_ot_types.mod input_keyword_types.mod qs_cdft_opt_types.mod input_enumeration_types.mod outer_scf_control_types.mod input_cp2k_dft.mod input_constants.mod cp_units.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/scf_control_types.F scf_control_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' scf_control_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'scf_control_types.mod' due to: scf_control_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/scf_control_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_ot_types.mod input_keyword_types.mod qs_cdft_opt_types.mod input_enumeration_types.mod outer_scf_control_types.mod input_cp2k_dft.mod input_constants.mod cp_units.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kpoint_transitional.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_transitional.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_transitional.F kpoint_transitional.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kpoint_transitional.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kpoint_transitional.mod' due to: kpoint_transitional.o /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_transitional.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_rho_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod kpoint_transitional.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_types.F qs_rho_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_rho_types.mod' due to: qs_rho_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod kpoint_transitional.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_force_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_force_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_force_types.F qs_force_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_force_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_force_types.mod' due to: qs_force_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_force_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_energy_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_types.F qs_energy_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_energy_types.mod' due to: qs_energy_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_subsys_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_subsys_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod colvar_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod qs_force_types.mod molecule_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_energy_types.mod particle_list_types.mod cp_result_types.mod cp_subsys_types.mod multipole_types.mod atomic_kind_list_types.mod atomic_kind_types.mod atprop_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_subsys_types.F qs_subsys_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_subsys_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_subsys_types.mod' due to: qs_subsys_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_subsys_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod colvar_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod qs_force_types.mod molecule_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_energy_types.mod particle_list_types.mod cp_result_types.mod cp_subsys_types.mod multipole_types.mod atomic_kind_list_types.mod atomic_kind_types.mod atprop_types.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kpoint_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod input_cp2k_kpoints.mod cp_para_env.mod cp_blacs_env.mod string_utilities.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod qs_matrix_pools.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_types.F kpoint_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kpoint_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_types.F:418:29: 418 | SUBROUTINE set_kpoint_info(kpoint, kp_scheme, nkp_grid, kp_shift, symmetry, verbose, & | ^ Warning: ‘set_kpoint_info’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kpoint_types.mod' due to: kpoint_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod input_cp2k_kpoints.mod cp_para_env.mod cp_blacs_env.mod string_utilities.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod qs_matrix_pools.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'whittaker.mod' due to: whittaker.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_rho0_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_rho_atom_types.mod qs_grid_atom.mod memory_utilities.mod cp_units.mod mathconstants.mod kinds.mod whittaker.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_types.F qs_rho0_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho0_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_rho0_types.mod' due to: qs_rho0_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_rho_atom_types.mod qs_grid_atom.mod memory_utilities.mod cp_units.mod mathconstants.mod kinds.mod whittaker.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'admm_dm_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/admm_dm_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/admm_dm_types.F admm_dm_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' admm_dm_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'admm_dm_types.mod' due to: admm_dm_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/admm_dm_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_o3c_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_o3c_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod basis_set_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_o3c_types.F qs_o3c_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_o3c_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_o3c_types.mod' due to: qs_o3c_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_o3c_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod basis_set_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lri_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod mathlib.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_types.F lri_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lri_environment_types.mod' due to: lri_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod mathlib.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'integration_grid_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/integration_grid_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/integration_grid_types.F integration_grid_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' integration_grid_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'integration_grid_types.mod' due to: integration_grid_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/integration_grid_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'grid_api.mod' due to: grid_api.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'task_list_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/task_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod grid_api.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/task_list_types.F task_list_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' task_list_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'task_list_types.mod' due to: task_list_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/task_list_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod grid_api.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kg_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/kg_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod lri_environment_types.mod integration_grid_types.mod qs_dispersion_types.mod task_list_types.mod molecule_types.mod qs_grid_atom.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/kg_environment_types.F kg_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kg_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kg_environment_types.mod' due to: kg_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/kg_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod lri_environment_types.mod integration_grid_types.mod qs_dispersion_types.mod task_list_types.mod molecule_types.mod qs_grid_atom.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cell_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cell_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_keyword_types.mod cp_parser_types.mod cp_para_types.mod input_enumeration_types.mod mathlib.mod input_constants.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod input_cp2k_subsys.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cell_methods.F cell_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cell_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cell_methods.mod' due to: cell_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/cell_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_keyword_types.mod cp_parser_types.mod cp_para_types.mod input_enumeration_types.mod mathlib.mod input_constants.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod input_cp2k_subsys.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ewald_spline_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_spline_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod pw_pool_types.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod pw_methods.mod pw_spline_utils.mod pw_grids.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_spline_util.F ewald_spline_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewald_spline_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ewald_spline_util.mod' due to: ewald_spline_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_spline_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod pw_pool_types.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod pw_methods.mod pw_spline_utils.mod pw_grids.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_ddapc_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod pw_types.mod cp_para_types.mod mathlib.mod input_constants.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod kahan_sum.mod spherical_harmonics.mod pw_spline_utils.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_methods.F cp_ddapc_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_ddapc_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_ddapc_methods.mod' due to: cp_ddapc_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod pw_types.mod cp_para_types.mod mathlib.mod input_constants.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod kahan_sum.mod spherical_harmonics.mod pw_spline_utils.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_ddapc_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod pw_poisson_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod pw_pool_types.mod cell_methods.mod cp_output_handling.mod ewald_spline_util.mod mathconstants.mod kinds.mod base_hooks.mod cp_ddapc_methods.mod pw_grids.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_types.F cp_ddapc_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_ddapc_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_ddapc_types.mod' due to: cp_ddapc_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod pw_poisson_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod pw_pool_types.mod cell_methods.mod cp_output_handling.mod ewald_spline_util.mod mathconstants.mod kinds.mod base_hooks.mod cp_ddapc_methods.mod pw_grids.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_gcp_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_types.F qs_gcp_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gcp_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_gcp_types.mod' due to: qs_gcp_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'gaussian_gridlevels.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/gaussian_gridlevels.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/gaussian_gridlevels.F gaussian_gridlevels.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gaussian_gridlevels.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'gaussian_gridlevels.mod' due to: gaussian_gridlevels.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/gaussian_gridlevels.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_env_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/pw_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod pw_poisson_types.mod pw_pool_types.mod kinds.mod base_hooks.mod cube_utils.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/pw_env_types.F pw_env_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_env_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_env_types.mod' due to: pw_env_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/pw_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod pw_poisson_types.mod pw_pool_types.mod kinds.mod base_hooks.mod cube_utils.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_diis_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_diis_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_diis_types.F qs_diis_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_diis_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_diis_types.F:84:30: 84 | SUBROUTINE qs_diis_b_retain(diis_buffer) | ^ Warning: ‘qs_diis_b_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_diis_types.mod' due to: qs_diis_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_diis_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_atomic_halo_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_atomic_halo_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod atomic_kind_types.mod cp_para_types.mod message_passing.mod string_utilities.mod memory_utilities.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_atomic_halo_types.F qs_fb_atomic_halo_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_atomic_halo_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_atomic_halo_types.F:140:35: 140 | SUBROUTINE fb_atomic_halo_retain(atomic_halo) | ^ Warning: ‘fb_atomic_halo_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_atomic_halo_types.F:200:38: 200 | SUBROUTINE fb_atomic_halo_associate(a, b) | ^ Warning: ‘fb_atomic_halo_associate’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_atomic_halo_types.F:663:38: 663 | SUBROUTINE fb_atomic_halo_list_init(atomic_halos) | ^ Warning: ‘fb_atomic_halo_list_init’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_atomic_halo_types.F:745:39: 745 | SUBROUTINE fb_atomic_halo_list_write(atomic_halos, para_env, fb_section) | ^ Warning: ‘fb_atomic_halo_list_write’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_atomic_halo_types.mod' due to: qs_fb_atomic_halo_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_atomic_halo_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod atomic_kind_types.mod cp_para_types.mod message_passing.mod string_utilities.mod memory_utilities.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_trial_fns_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_trial_fns_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_trial_fns_types.F qs_fb_trial_fns_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_trial_fns_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_trial_fns_types.F:166:31: 166 | SUBROUTINE fb_trial_fns_init(trial_fns) | ^ Warning: ‘fb_trial_fns_init’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_trial_fns_types.mod' due to: qs_fb_trial_fns_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_trial_fns_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_env_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_fb_atomic_halo_types.mod qs_fb_trial_fns_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_env_types.F qs_fb_env_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_env_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_env_types.F:101:27: 101 | SUBROUTINE fb_env_retain(fb_env) | ^ Warning: ‘fb_env_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_env_types.F:160:30: 160 | SUBROUTINE fb_env_associate(a, b) | ^ Warning: ‘fb_env_associate’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_env_types.F:213:25: 213 | SUBROUTINE fb_env_init(fb_env) | ^ Warning: ‘fb_env_init’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_env_types.mod' due to: qs_fb_env_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_fb_atomic_halo_types.mod qs_fb_trial_fns_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_block_davidson_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_block_davidson_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_fm_struct.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_block_davidson_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_block_davidson_types.mod' due to: qs_block_davidson_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_block_davidson_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_fm_types.mod cp_fm_struct.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_ot_types.mod preconditioner_types.mod qs_diis_types.mod qs_fb_env_types.mod cp_fm_types.mod outer_scf_control_types.mod qs_density_mixing_types.mod qs_block_davidson_types.mod cp_fm_vect.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_types.F qs_scf_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_types.mod' due to: qs_scf_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_ot_types.mod preconditioner_types.mod qs_diis_types.mod qs_fb_env_types.mod cp_fm_types.mod outer_scf_control_types.mod qs_density_mixing_types.mod qs_block_davidson_types.mod cp_fm_vect.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_env_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod qs_loc_types.mod basis_set_types.mod cp_dbcsr_operations.mod cp_array_utils.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_env_types.F xas_env_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_env_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_env_types.mod' due to: xas_env_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod qs_loc_types.mod basis_set_types.mod cp_dbcsr_operations.mod cp_array_utils.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'et_coupling_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling_types.F et_coupling_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' et_coupling_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling_types.F:74:34: 74 | SUBROUTINE get_et_coupling_type(et_coupling, et_mo_coeff, rest_mat) | ^ Warning: ‘get_et_coupling_type’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'et_coupling_types.mod' due to: et_coupling_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ks_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod kpoint_types.mod molecule_types.mod admm_dm_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_force_types.mod task_list_types.mod distribution_1d_types.mod distribution_2d_types.mod molecule_kind_types.mod qs_energy_types.mod cp_result_types.mod cp_subsys_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_para_env.mod kpoint_transitional.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_types.F qs_ks_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ks_types.mod' due to: qs_ks_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod kpoint_types.mod molecule_types.mod admm_dm_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_force_types.mod task_list_types.mod distribution_1d_types.mod distribution_2d_types.mod molecule_kind_types.mod qs_energy_types.mod cp_result_types.mod cp_subsys_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_para_env.mod kpoint_transitional.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_active_space_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod cp_fm_types.mod message_passing.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_types.F qs_active_space_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:35:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_active_space_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_active_space_types.mod' due to: qs_active_space_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod cp_fm_types.mod message_passing.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_charges_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_charges_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_charges_types.F qs_charges_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_charges_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_charges_types.mod' due to: qs_charges_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_charges_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ks_qmmm_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_qmmm_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod pw_types.mod pw_pool_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cube_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_qmmm_types.F qs_ks_qmmm_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ks_qmmm_types.mod' due to: qs_ks_qmmm_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_qmmm_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod pw_types.mod pw_pool_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cube_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_derivative_desc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_desc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_desc.F xc_derivative_desc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_derivative_desc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_derivative_desc.mod' due to: xc_derivative_desc.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_desc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_derivative_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod base_hooks.mod xc_derivative_desc.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_types.F xc_derivative_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_derivative_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_types.F:92:34: 92 | SUBROUTINE xc_derivative_retain(deriv) | ^ Warning: ‘xc_derivative_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_derivative_types.mod' due to: xc_derivative_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_pool_types.mod base_hooks.mod xc_derivative_desc.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_linked_list_xc_deriv.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_linked_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F cp_linked_list_xc_deriv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_linked_list_xc_deriv.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F:47:3: 47 | $:inst(nametype1, type1, type1in, type1out, eq, arrayeq, type1arrayEl, arrayEl, private_routines) | ^ Warning: ‘cp_sll_deriv_less_q’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_linked_list_xc_deriv.mod' due to: cp_linked_list_xc_deriv.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/cp_linked_list_xc_deriv.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/cp_linked_list.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_derivative_set_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_set_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod pw_grid_types.mod pw_pool_types.mod message_passing.mod cp_linked_list_xc_deriv.mod kinds.mod base_hooks.mod xc_derivative_desc.mod pw_grids.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_set_types.F xc_derivative_set_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_derivative_set_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_set_types.F:187:28: 187 | SUBROUTINE xc_dset_retain(deriv_set) | ^ Warning: ‘xc_dset_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_derivative_set_types.mod' due to: xc_derivative_set_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivative_set_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_types.mod pw_grid_types.mod pw_pool_types.mod message_passing.mod cp_linked_list_xc_deriv.mod kinds.mod base_hooks.mod xc_derivative_desc.mod pw_grids.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_rho_cflags_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_rho_cflags_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_rho_cflags_types.F xc_rho_cflags_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_rho_cflags_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_rho_cflags_types.mod' due to: xc_rho_cflags_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_rho_cflags_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_rho_set_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_rho_set_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod pw_types.mod pw_pool_types.mod cp_array_utils.mod xc_input_constants.mod kinds.mod base_hooks.mod pw_methods.mod pw_spline_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_rho_set_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_rho_set_types.F:163:31: 163 | SUBROUTINE xc_rho_set_retain(rho_set) | ^ Warning: ‘xc_rho_set_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_rho_set_types.mod' due to: xc_rho_set_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_rho_set_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod pw_types.mod pw_pool_types.mod cp_array_utils.mod xc_input_constants.mod kinds.mod base_hooks.mod pw_methods.mod pw_spline_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_kpp1_env_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kpp1_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod pw_types.mod xc_rho_set_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_kpp1_env_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kpp1_env_types.F:156:25: 156 | SUBROUTINE kpp1_retain(kpp1_env) | ^ Warning: ‘kpp1_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_kpp1_env_types.mod' due to: qs_kpp1_env_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kpp1_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod pw_types.mod xc_rho_set_types.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_local_rho_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_local_rho_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho0_types.mod qs_rho_atom_types.mod qs_grid_atom.mod memory_utilities.mod mathconstants.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_local_rho_types.F qs_local_rho_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_local_rho_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_local_rho_types.mod' due to: qs_local_rho_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_local_rho_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho0_types.mod qs_rho_atom_types.mod qs_grid_atom.mod memory_utilities.mod mathconstants.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_p_env_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_p_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kpp1_env_types.mod qs_local_rho_types.mod preconditioner_types.mod qs_rho_types.mod cp_fm_types.mod hartree_local_types.mod cp_fm_vect.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_p_env_types.F qs_p_env_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_p_env_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_p_env_types.F:115:26: 115 | SUBROUTINE p_env_retain(p_env) | ^ Warning: ‘p_env_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_p_env_types.mod' due to: qs_p_env_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_p_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kpp1_env_types.mod qs_local_rho_types.mod preconditioner_types.mod qs_rho_types.mod cp_fm_types.mod hartree_local_types.mod cp_fm_vect.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_period_efield_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_period_efield_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_period_efield_types.F qs_period_efield_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_period_efield_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_period_efield_types.mod' due to: qs_period_efield_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_period_efield_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod cp_dbcsr_operations.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ec_env_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ec_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 task_list_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_p_env_types.mod pw_types.mod qs_force_types.mod cp_fm_types.mod qs_period_efield_types.mod qs_dispersion_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ec_env_types.F ec_env_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ec_env_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ec_env_types.mod' due to: ec_env_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/ec_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 task_list_types.mod input_section_types.mod qs_neighbor_list_types.mod qs_p_env_types.mod pw_types.mod qs_force_types.mod cp_fm_types.mod qs_period_efield_types.mod qs_dispersion_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'wannier_states_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/wannier_states_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/wannier_states_types.F wannier_states_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' wannier_states_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'wannier_states_types.mod' due to: wannier_states_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/wannier_states_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_wf_history_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_wf_history_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_fm_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_wf_history_types.F qs_wf_history_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_wf_history_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_wf_history_types.mod' due to: qs_wf_history_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_wf_history_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_fm_types.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_moments.mod' due to: ai_moments.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'sap_kind_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod external_potential_types.mod basis_set_types.mod orbital_pointers.mod ai_overlap.mod util.mod kinds.mod base_hooks.mod ai_moments.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F sap_kind_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' sap_kind_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:299:76: 299 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a | ^ Warning: ‘alpha_ppnl.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:299:76: Warning: ‘alpha_ppnl.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:299:76: Warning: ‘alpha_ppnl.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:299:76: Warning: ‘alpha_ppnl.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:288:92: 288 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, & | ^ Warning: ‘nprj_ppnl.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:288:92: Warning: ‘nprj_ppnl.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:288:92: Warning: ‘nprj_ppnl.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:288:92: Warning: ‘nprj_ppnl.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:300:96: 300 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, h_nl, rpgfa, sphi_a, vprj_ppnl, & | ^ Warning: ‘vprj_ppnl.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: ‘vprj_ppnl.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: ‘vprj_ppnl.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: ‘vprj_ppnl.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:300:96: Warning: ‘vprj_ppnl.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:299:82: 299 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a | ^ Warning: ‘hprj.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:299:82: Warning: ‘hprj.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:299:82: Warning: ‘hprj.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:299:82: Warning: ‘hprj.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F:285:83: 285 | maxsgf, na, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, nsgfa, & | ^ Warning: ‘nprjc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'sap_kind_types.mod' due to: sap_kind_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/sap_kind_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod external_potential_types.mod basis_set_types.mod orbital_pointers.mod ai_overlap.mod util.mod kinds.mod base_hooks.mod ai_moments.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'block_p_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/block_p_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/block_p_types.F block_p_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' block_p_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'block_p_types.mod' due to: block_p_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/block_p_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_oce_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_oce_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 sap_kind_types.mod block_p_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_oce_types.F qs_oce_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_oce_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_oce_types.mod' due to: qs_oce_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_oce_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 sap_kind_types.mod block_p_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mscfg_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mscfg_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mscfg_types.F mscfg_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mscfg_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mscfg_types.mod' due to: mscfg_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/mscfg_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod realspace_grid_types.mod qs_rho_types.mod atomic_kind_types.mod cp_fm_types.mod qs_loc_types.mod qs_rho_atom_types.mod qs_grid_atom.mod cp_array_utils.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_types.F qs_linres_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_types.F:1096:35: 1096 | SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom) | ^ Warning: ‘deallocate_jrho_coeff’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_types.F:1135:27: 1135 | SUBROUTINE get_jrho_atom(jrho1_atom_set, iatom, cjc_h, cjc_s, cjc_ii_h, cjc_ii_s, & | ^ Warning: ‘get_jrho_atom’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_types.mod' due to: qs_linres_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod realspace_grid_types.mod qs_rho_types.mod atomic_kind_types.mod cp_fm_types.mod qs_loc_types.mod qs_rho_atom_types.mod qs_grid_atom.mod cp_array_utils.mod kinds.mod base_hooks.mod qs_harmonics_atom.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pexsi_interface.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pexsi_interface.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pexsi_interface.F pexsi_interface.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pexsi_interface.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pexsi_interface.mod' due to: pexsi_interface.o /build/cp2k-6PcaEs/cp2k-8.1/src/pexsi_interface.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pexsi_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pexsi_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pexsi_interface.mod message_passing.mod kinds.mod bibliography.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pexsi_types.F pexsi_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pexsi_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pexsi_types.mod' due to: pexsi_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pexsi_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pexsi_interface.mod message_passing.mod kinds.mod bibliography.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pao_types.mod pexsi_types.mod cp_para_types.mod qs_density_mixing_types.mod cp_para_env.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_types.mod' due to: dm_ls_scf_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pao_types.mod pexsi_types.mod cp_para_types.mod qs_density_mixing_types.mod cp_para_env.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rel_control_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rel_control_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod input_constants.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rel_control_types.F rel_control_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rel_control_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rel_control_types.mod' due to: rel_control_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/rel_control_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod input_constants.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'domain_submatrix_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/domain_submatrix_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/domain_submatrix_types.F domain_submatrix_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' domain_submatrix_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'domain_submatrix_types.mod' due to: domain_submatrix_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/domain_submatrix_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'almo_scf_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod cp_para_types.mod cp_blacs_env.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_types.F almo_scf_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'almo_scf_types.mod' due to: almo_scf_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod cp_para_types.mod cp_blacs_env.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_compression_core_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F hfx_compression_core_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:36:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_compression_core_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F:67:23: 67 | SUBROUTINE ints2ints(Ndata, packed_data, full_data) | ^ Warning: ‘ints2ints’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_compression_core_methods.mod' due to: hfx_compression_core_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/hfx_compression_core_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_compression_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_compression_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod hfx_compression_core_methods.mod kinds.mod base_hooks.mod cp_files.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_compression_methods.F hfx_compression_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_compression_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_compression_methods.mod' due to: hfx_compression_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_compression_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod hfx_compression_core_methods.mod kinds.mod base_hooks.mod cp_files.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_store_int_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_store_int_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod hfx_types.mod memory_utilities.mod kinds.mod base_hooks.mod hfx_compression_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_store_int_types.F semi_empirical_store_int_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_store_int_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_store_int_types.mod' due to: semi_empirical_store_int_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_store_int_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod hfx_types.mod memory_utilities.mod kinds.mod base_hooks.mod hfx_compression_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'transport_env_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/transport_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/transport_env_types.F transport_env_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' transport_env_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'transport_env_types.mod' due to: transport_env_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/transport_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_fm_types.mod libint_2c_3c.mod input_constants.mod kinds.mod base_hooks.mod cp_eri_mme_interface.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_types.F mp2_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_types.mod' due to: mp2_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_fm_types.mod libint_2c_3c.mod input_constants.mod kinds.mod base_hooks.mod cp_eri_mme_interface.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'admm_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/admm_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod qs_local_rho_types.mod cp_control_types.mod qs_mo_types.mod cp_para_types.mod qs_oce_types.mod cp_fm_types.mod task_list_types.mod cp_fm_struct.mod input_constants.mod bibliography.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/admm_types.F admm_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' admm_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'admm_types.mod' due to: admm_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/admm_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod qs_local_rho_types.mod cp_control_types.mod qs_mo_types.mod cp_para_types.mod qs_oce_types.mod cp_fm_types.mod task_list_types.mod cp_fm_struct.mod input_constants.mod bibliography.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod hfx_types.mod hartree_local_types.mod scf_control_types.mod virial_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod kpoint_types.mod qs_rho0_types.mod molecule_types.mod qs_dispersion_types.mod admm_dm_types.mod kg_environment_types.mod cp_ddapc_types.mod qs_kind_types.mod qs_gcp_types.mod cell_types.mod pw_env_types.mod xas_env_types.mod cp_control_types.mod et_coupling_types.mod qmmm_types_low.mod qs_ks_types.mod qs_active_space_types.mod global_types.mod qs_charges_types.mod qs_ks_qmmm_types.mod qs_scf_types.mod qs_force_types.mod ec_env_types.mod cp_fm_types.mod qs_rho_atom_types.mod task_list_types.mod wannier_states_types.mod qs_wf_history_types.mod qs_oce_types.mod semi_empirical_mpole_types.mod input_section_types.mod mscfg_types.mod qs_linres_types.mod ewald_pw_types.mod qs_local_rho_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod dm_ls_scf_types.mod qs_mo_types.mod distribution_2d_types.mod molecule_kind_types.mod rel_control_types.mod qs_energy_types.mod cp_result_types.mod cp_subsys_types.mod qs_period_efield_types.mod almo_scf_types.mod qs_neighbor_list_types.mod lri_environment_types.mod semi_empirical_store_int_types.mod transport_env_types.mod atomic_kind_types.mod mp2_types.mod atprop_types.mod ewald_environment_types.mod qs_dftb_types.mod admm_types.mod semi_empirical_types.mod cp_blacs_env.mod input_constants.mod base_hooks.mod kinds.mod qs_matrix_pools.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment_types.F qs_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_environment_types.mod' due to: qs_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod hfx_types.mod hartree_local_types.mod scf_control_types.mod virial_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod kpoint_types.mod qs_rho0_types.mod molecule_types.mod qs_dispersion_types.mod admm_dm_types.mod kg_environment_types.mod cp_ddapc_types.mod qs_kind_types.mod qs_gcp_types.mod cell_types.mod pw_env_types.mod xas_env_types.mod cp_control_types.mod et_coupling_types.mod qmmm_types_low.mod qs_ks_types.mod qs_active_space_types.mod global_types.mod qs_charges_types.mod qs_ks_qmmm_types.mod qs_scf_types.mod qs_force_types.mod ec_env_types.mod cp_fm_types.mod qs_rho_atom_types.mod task_list_types.mod wannier_states_types.mod qs_wf_history_types.mod qs_oce_types.mod semi_empirical_mpole_types.mod input_section_types.mod mscfg_types.mod qs_linres_types.mod ewald_pw_types.mod qs_local_rho_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod dm_ls_scf_types.mod qs_mo_types.mod distribution_2d_types.mod molecule_kind_types.mod rel_control_types.mod qs_energy_types.mod cp_result_types.mod cp_subsys_types.mod qs_period_efield_types.mod almo_scf_types.mod qs_neighbor_list_types.mod lri_environment_types.mod semi_empirical_store_int_types.mod transport_env_types.mod atomic_kind_types.mod mp2_types.mod atprop_types.mod ewald_environment_types.mod qs_dftb_types.mod admm_types.mod semi_empirical_types.mod cp_blacs_env.mod input_constants.mod base_hooks.mod kinds.mod qs_matrix_pools.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fist_environment_types.mod fist_energy_types.mod qmmm_types_low.mod qs_environment_types.mod qs_energy_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_types.F qmmm_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_types.mod' due to: qmmm_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fist_environment_types.mod fist_energy_types.mod qmmm_types_low.mod qs_environment_types.mod qs_energy_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mixed_energy_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_energy_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_energy_types.F mixed_energy_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_energy_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mixed_energy_types.mod' due to: mixed_energy_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_energy_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'embed_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/embed_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod cp_fm_types.mod molecule_kind_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_result_types.mod cp_subsys_types.mod lri_environment_types.mod atomic_kind_list_types.mod atomic_kind_types.mod base_hooks.mod cp_para_env.mod kinds.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/embed_types.F embed_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' embed_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'embed_types.mod' due to: embed_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/embed_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod cp_fm_types.mod molecule_kind_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_result_types.mod cp_subsys_types.mod lri_environment_types.mod atomic_kind_list_types.mod atomic_kind_types.mod base_hooks.mod cp_para_env.mod kinds.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmmx_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_types.F qmmmx_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmmx_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmmx_types.mod' due to: qmmmx_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_subsys_types.mod qmmm_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mixed_cdft_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod pw_env_types.mod qs_cdft_types.mod cp_fm_types.mod cp_blacs_env.mod cp_array_utils.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_types.F mixed_cdft_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_cdft_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mixed_cdft_types.mod' due to: mixed_cdft_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod pw_env_types.mod qs_cdft_types.mod cp_fm_types.mod cp_blacs_env.mod cp_array_utils.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mixed_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod mixed_energy_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod mixed_cdft_types.mod molecule_kind_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_result_types.mod cp_subsys_types.mod atomic_kind_list_types.mod atomic_kind_types.mod base_hooks.mod cp_para_env.mod kinds.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_environment_types.F mixed_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mixed_environment_types.mod' due to: mixed_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod mixed_energy_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod mixed_cdft_types.mod molecule_kind_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_result_types.mod cp_subsys_types.mod atomic_kind_list_types.mod atomic_kind_types.mod base_hooks.mod cp_para_env.mod kinds.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eip_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/eip_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod particle_list_types.mod distribution_1d_types.mod virial_types.mod atomic_kind_list_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_list_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/eip_environment_types.F eip_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eip_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eip_environment_types.mod' due to: eip_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/eip_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod particle_list_types.mod distribution_1d_types.mod virial_types.mod atomic_kind_list_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_list_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pwdft_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pwdft_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_subsys_types.mod cp_para_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pwdft_environment_types.F pwdft_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pwdft_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pwdft_environment_types.mod' due to: pwdft_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/pwdft_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_subsys_types.mod cp_para_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'nnp_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod particle_list_types.mod distribution_1d_types.mod virial_types.mod atomic_kind_list_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_list_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_environment_types.F nnp_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' nnp_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'nnp_environment_types.mod' due to: nnp_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod particle_list_types.mod distribution_1d_types.mod virial_types.mod atomic_kind_list_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_list_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'metadynamics_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/metadynamics_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod cp_para_types.mod cp_para_env.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/metadynamics_types.F metadynamics_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' metadynamics_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'metadynamics_types.mod' due to: metadynamics_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/metadynamics_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod cp_para_types.mod cp_para_env.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fp_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fp_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fp_types.F fp_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fp_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fp_types.mod' due to: fp_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/fp_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'force_env_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qmmm_types.mod mixed_energy_types.mod cp_para_types.mod fist_environment_types.mod cell_types.mod embed_types.mod qmmmx_types.mod global_types.mod mixed_environment_types.mod eip_environment_types.mod pwdft_environment_types.mod input_section_types.mod nnp_environment_types.mod metadynamics_types.mod qs_environment_types.mod qs_energy_types.mod cp_subsys_types.mod fist_energy_types.mod fp_types.mod base_hooks.mod cp_para_env.mod kinds.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_types.F force_env_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_env_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_types.F:702:45: 702 | i_force_eval(1) = main_force_eval | ^ Warning: ‘main_force_eval’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'force_env_types.mod' due to: force_env_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qmmm_types.mod mixed_energy_types.mod cp_para_types.mod fist_environment_types.mod cell_types.mod embed_types.mod qmmmx_types.mod global_types.mod mixed_environment_types.mod eip_environment_types.mod pwdft_environment_types.mod input_section_types.mod nnp_environment_types.mod metadynamics_types.mod qs_environment_types.mod qs_energy_types.mod cp_subsys_types.mod fist_energy_types.mod fp_types.mod base_hooks.mod cp_para_env.mod kinds.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'extended_system_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/extended_system_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/extended_system_types.F extended_system_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' extended_system_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'extended_system_types.mod' due to: extended_system_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/extended_system_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'gle_system_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/gle_system_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod extended_system_types.mod kinds.mod bibliography.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/gle_system_types.F gle_system_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gle_system_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'gle_system_types.mod' due to: gle_system_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/gle_system_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod extended_system_types.mod kinds.mod bibliography.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'al_system_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/al_system_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod extended_system_types.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/al_system_types.F al_system_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' al_system_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'al_system_types.mod' due to: al_system_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/al_system_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod extended_system_types.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'csvr_system_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/csvr_system_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod simpar_types.mod extended_system_types.mod kinds.mod bibliography.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/csvr_system_types.F csvr_system_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' csvr_system_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'csvr_system_types.mod' due to: csvr_system_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/csvr_system_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod simpar_types.mod extended_system_types.mod kinds.mod bibliography.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'thermostat_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod gle_system_types.mod al_system_types.mod simpar_types.mod extended_system_types.mod csvr_system_types.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_types.F thermostat_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermostat_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'thermostat_types.mod' due to: thermostat_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod gle_system_types.mod al_system_types.mod simpar_types.mod extended_system_types.mod csvr_system_types.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod colvar_types.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_types.F topology_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_types.mod' due to: topology_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod colvar_types.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'string_table.mod' due to: string_table.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_binary_restarts.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_binary_restarts.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod topology_types.mod extended_system_types.mod cp_para_types.mod message_passing.mod cp_output_handling.mod print_messages.mod kinds.mod base_hooks.mod cp_files.mod physcon.mod string_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_binary_restarts.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_binary_restarts.mod' due to: input_cp2k_binary_restarts.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_binary_restarts.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod topology_types.mod extended_system_types.mod cp_para_types.mod message_passing.mod cp_output_handling.mod print_messages.mod kinds.mod base_hooks.mod cp_files.mod physcon.mod string_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'thermostat_mapping.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod simpar_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod message_passing.mod memory_utilities.mod util.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermostat_mapping.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:576:38: 576 | ALLOCATE (map_info%s_kin(nsize)) | ^ Warning: ‘nsize’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:1071:22: 1071 | const_mol = 0 | ^ Warning: ‘MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:554:69: 554 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const | ^ note: ‘MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:983:66: 983 | id_region = map_loc_thermo_gen(iatm) | ^ Warning: ‘iatm’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:830:56: 830 | INTEGER :: atm_offset, first_atom, handle, i, iatm, icount, id_region, ikind, ilist, imol, & | ^ note: ‘iatm’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:121:38: 121 | ALLOCATE (map_info%s_kin(nsize)) | ^ Warning: ‘nsize’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:100:80: 100 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const | ^ Warning: ‘MEM[(struct array01_integer(kind=4) &)&tot_const].dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:505:22: 505 | const_mol = 0 | ^ Warning: ‘MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F:100:69: 100 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const | ^ note: ‘MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'thermostat_mapping.mod' due to: thermostat_mapping.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_mapping.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod simpar_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod message_passing.mod memory_utilities.mod util.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'extended_system_mapping.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 simpar_types.mod thermostat_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod message_passing.mod kinds.mod thermostat_mapping.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' extended_system_mapping.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'extended_system_mapping.mod' due to: extended_system_mapping.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/extended_system_mapping.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 simpar_types.mod thermostat_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod message_passing.mod kinds.mod thermostat_mapping.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:484: update target '/build/cp2k-6PcaEs/cp2k-8.1/obj/git-ref' due to: FORCE echo git:0b61f2f > "/build/cp2k-6PcaEs/cp2k-8.1/obj/git-ref.tmp" cmp "/build/cp2k-6PcaEs/cp2k-8.1/obj/git-ref.tmp" "/build/cp2k-6PcaEs/cp2k-8.1/obj/git-ref" || mv -f "/build/cp2k-6PcaEs/cp2k-8.1/obj/git-ref.tmp" "/build/cp2k-6PcaEs/cp2k-8.1/obj/git-ref" cmp: /build/cp2k-6PcaEs/cp2k-8.1/obj/git-ref: No such file or directory /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp2k_info.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp2k_info.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod machine.mod input_constants.mod kinds.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/git-ref /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp2k_info.F cp2k_info.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp2k_info.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp2k_info.mod' due to: cp2k_info.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp2k_info.F machine.mod input_constants.mod kinds.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'motion_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod particle_types.mod force_env_types.mod virial_types.mod particle_list_types.mod cp_subsys_types.mod machine.mod mathlib.mod cp2k_info.mod input_constants.mod cp_units.mod cp_output_handling.mod particle_methods.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion_utils.F motion_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' motion_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'motion_utils.mod' due to: motion_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod particle_types.mod force_env_types.mod virial_types.mod particle_list_types.mod cp_subsys_types.mod machine.mod mathlib.mod cp2k_info.mod input_constants.mod cp_units.mod cp_output_handling.mod particle_methods.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'thermostat_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types.mod shell_potential_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod simpar_types.mod input_section_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod extended_system_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod message_passing.mod cp_output_handling.mod kinds.mod motion_utils.mod cp_log_handling.mod machine.mod cp_units.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_utils.F thermostat_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:37:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermostat_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_utils.F:317:38: 317 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE. | ^ Warning: ‘nmolecule’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'thermostat_utils.mod' due to: thermostat_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types.mod shell_potential_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod simpar_types.mod input_section_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod extended_system_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod message_passing.mod cp_output_handling.mod kinds.mod motion_utils.mod cp_log_handling.mod machine.mod cp_units.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'extended_system_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/extended_system_init.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod global_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod input_cp2k_binary_restarts.mod kinds.mod base_hooks.mod extended_system_mapping.mod thermostat_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' extended_system_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'extended_system_init.mod' due to: extended_system_init.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/extended_system_init.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod global_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod input_cp2k_binary_restarts.mod kinds.mod base_hooks.mod extended_system_mapping.mod thermostat_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'barostat_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/barostat_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod simpar_types.mod force_env_types.mod extended_system_types.mod global_types.mod input_constants.mod extended_system_init.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/barostat_types.F barostat_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' barostat_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'barostat_types.mod' due to: barostat_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/barostat_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod simpar_types.mod force_env_types.mod extended_system_types.mod global_types.mod input_constants.mod extended_system_init.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'md_ener_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_ener_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_ener_types.F md_ener_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_ener_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'md_ener_types.mod' due to: md_ener_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_ener_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'free_energy_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/free_energy_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod input_constants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/free_energy_types.F free_energy_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' free_energy_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'free_energy_types.mod' due to: free_energy_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/free_energy_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod input_constants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'thermal_region_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermal_region_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermal_region_types.F thermal_region_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermal_region_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'thermal_region_types.mod' due to: thermal_region_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermal_region_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rmsd.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rmsd.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod mathlib.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rmsd.F rmsd.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rmsd.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rmsd.mod' due to: rmsd.o /build/cp2k-6PcaEs/cp2k-8.1/src/rmsd.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod base_hooks.mod mathlib.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'constraint_fxd.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_fxd.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod particle_list_types.mod force_env_types.mod distribution_1d_types.mod atomic_kind_list_types.mod colvar_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod message_passing.mod util.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_fxd.F constraint_fxd.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_fxd.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_fxd.F:241:86: 241 | shell_particle_set(shell_index)%f(:) = force(:, natom + shell_index) | ^ Warning: ‘shell_particle_set.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_fxd.F:241:86: Warning: ‘shell_particle_set.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_fxd.F:241:86: Warning: ‘shell_particle_set.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_fxd.F:240:75: 240 | core_particle_set(shell_index)%f(:) = force(:, iparticle) | ^ Warning: ‘core_particle_set.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_fxd.F:240:75: Warning: ‘core_particle_set.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_fxd.F:240:75: Warning: ‘core_particle_set.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'constraint_fxd.mod' due to: constraint_fxd.o /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_fxd.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod particle_list_types.mod force_env_types.mod distribution_1d_types.mod atomic_kind_list_types.mod colvar_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod message_passing.mod util.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_result_methods.mod' due to: cp_result_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mixed_environment_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_environment_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod virial_types.mod mixed_energy_types.mod cp_result_types.mod kinds.mod cp_result_methods.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_environment_utils.F mixed_environment_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_environment_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mixed_environment_utils.mod' due to: mixed_environment_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_environment_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod virial_types.mod mixed_energy_types.mod cp_result_types.mod kinds.mod cp_result_methods.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fparser.mod' due to: fparser.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pair_potential_coulomb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_coulomb.F pair_potential_coulomb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pair_potential_coulomb.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pair_potential_coulomb.mod' due to: pair_potential_coulomb.o /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_poisson_types.mod base_hooks.mod mathconstants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'splines_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/splines_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 splines_types.mod base_hooks.mod kinds.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/splines_methods.F splines_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' splines_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'splines_methods.mod' due to: splines_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/splines_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 splines_types.mod base_hooks.mod kinds.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pair_potential_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pair_potential_types.mod kinds.mod base_hooks.mod physcon.mod fparser.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_util.F pair_potential_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pair_potential_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_util.F:148:31: 148 | value = value + lvalue | ^ Warning: ‘pp’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pair_potential_util.mod' due to: pair_potential_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pair_potential_types.mod kinds.mod base_hooks.mod physcon.mod fparser.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pair_potential.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod splines_types.mod pair_potential_types.mod splines_methods.mod pair_potential_util.mod util.mod kinds.mod base_hooks.mod string_table.mod cp_files.mod physcon.mod cp_log_handling.mod fparser.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential.F pair_potential.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pair_potential.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential.F:1025:77: 1025 | pot%spl_f%rcutsq_f = (min_sigma6/m_sigma6)**(1.0_dp/3.0_dp) | ^ Warning: ‘min_sigma6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential.F:943:98: 943 | REAL(KIND=dp) :: hicut0, l_epsilon, l_sigma6, m_epsilon, & | ^ Warning: ‘m_epsilon’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential.F:944:68: 944 | m_sigma6, min_sigma6, rcovi, rcovj | ^ Warning: ‘m_sigma6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pair_potential.mod' due to: pair_potential.o /build/cp2k-6PcaEs/cp2k-8.1/src/pair_potential.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atomic_kind_types.mod splines_types.mod pair_potential_types.mod splines_methods.mod pair_potential_util.mod util.mod kinds.mod base_hooks.mod string_table.mod cp_files.mod physcon.mod cp_log_handling.mod fparser.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atoms_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atoms_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod topology_types.mod shell_potential_types.mod input_val_types.mod atomic_kind_types.mod cp_parser_methods.mod cp_linked_list_input.mod cp_units.mod memory_utilities.mod kinds.mod base_hooks.mod string_utilities.mod string_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atoms_input.F atoms_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atoms_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atoms_input.F:441:84: 441 | core_particle_set(sh_index)%r(:) = rc(:, ishell)*unit_conv_core | ^ Warning: ‘unit_conv_core’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atoms_input.mod' due to: atoms_input.o /build/cp2k-6PcaEs/cp2k-8.1/src/atoms_input.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod topology_types.mod shell_potential_types.mod input_val_types.mod atomic_kind_types.mod cp_parser_methods.mod cp_linked_list_input.mod cp_units.mod memory_utilities.mod kinds.mod base_hooks.mod string_utilities.mod string_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'force_fields_all.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_all.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod damping_dipole_types.mod shell_potential_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod input_val_types.mod splines_types.mod pair_potential_types.mod input_section_types.mod external_potential_types.mod molecule_kind_types.mod force_field_types.mod force_field_kind_types.mod atomic_kind_types.mod ewald_environment_types.mod input_constants.mod cp_linked_list_input.mod pair_potential_coulomb.mod base_hooks.mod pair_potential.mod input_cp2k_binary_restarts.mod kinds.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod mathconstants.mod atoms_input.mod qmmm_ff_fist.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_all.F force_fields_all.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_fields_all.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_all.F:2659:39: 2659 | rmin = rmin2_a + rmin2_b | ^ Warning: ‘rmin2_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_all.F:2659:39: Warning: ‘rmin2_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_all.F:2661:56: 2661 | epsilon0 = SQRT(ABS(epsilon_a*epsilon_b)) | ^ Warning: ‘epsilon_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_all.F:2661:56: Warning: ‘epsilon_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'force_fields_all.mod' due to: force_fields_all.o /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_all.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod damping_dipole_types.mod shell_potential_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod input_val_types.mod splines_types.mod pair_potential_types.mod input_section_types.mod external_potential_types.mod molecule_kind_types.mod force_field_types.mod force_field_kind_types.mod atomic_kind_types.mod ewald_environment_types.mod input_constants.mod cp_linked_list_input.mod pair_potential_coulomb.mod base_hooks.mod pair_potential.mod input_cp2k_binary_restarts.mod kinds.mod string_utilities.mod cp_log_handling.mod memory_utilities.mod mathconstants.mod atoms_input.mod qmmm_ff_fist.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'force_fields_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod colvar_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod pair_potential_types.mod input_section_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod force_field_types.mod force_field_kind_types.mod atomic_kind_types.mod ewald_environment_types.mod base_hooks.mod force_fields_all.mod cp_output_handling.mod kinds.mod string_utilities.mod cp_log_handling.mod cp_units.mod memory_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_util.F force_fields_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_fields_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'force_fields_util.mod' due to: force_fields_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod colvar_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod pair_potential_types.mod input_section_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod force_field_types.mod force_field_kind_types.mod atomic_kind_types.mod ewald_environment_types.mod base_hooks.mod force_fields_all.mod cp_output_handling.mod kinds.mod string_utilities.mod cp_log_handling.mod cp_units.mod memory_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'colvar_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_keyword_types.mod mixed_energy_types.mod colvar_types.mod cp_para_types.mod cell_types.mod force_env_types.mod wannier_states_types.mod input_section_types.mod qs_environment_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod cp_parser_types.mod input_enumeration_types.mod input_constants.mod cp_parser_methods.mod base_hooks.mod spherical_harmonics.mod constraint_fxd.mod message_passing.mod input_cp2k_colvar.mod cp_output_handling.mod kinds.mod rmsd.mod string_utilities.mod cp_log_handling.mod mathlib.mod cp_units.mod memory_utilities.mod mathconstants.mod mixed_environment_utils.mod fparser.mod kahan_sum.mod force_fields_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F colvar_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:38:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' colvar_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:1278:70: 1278 | tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component) | 1 Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:1288:80: 1288 | tag_comp1 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(1)) | 1 Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:1291:80: 1291 | tag_comp2 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(2)) | 1 Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:5505:24: 5505 | colvar%ss = cv_val | ^ Warning: ‘cv_val’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:2037:19: 2037 | colvar%ss = r | ^ Warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:2938:10: 2938 | e, ftmp(3), o0, rcb, rt2, rtmp(3), rtru, ru2, sine, ss(3), xba, xca, xcb, xdb, xdc, xt, & | ^ Warning: ‘e’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:3071:22: 3071 | ftmp(3) = dedzid | ^ Warning: ‘dedzid’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:3067:22: 3067 | ftmp(3) = dedzic | ^ Warning: ‘dedzic’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:3063:22: 3063 | ftmp(3) = dedzib | ^ Warning: ‘dedzib’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:3059:22: 3059 | ftmp(3) = dedzia | ^ Warning: ‘dedzia’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:2937:31: 2937 | dedyib, dedyic, dedyid, dedyt, dedyu, dedzia, dedzib, dedzic, dedzid, dedzt, dedzu, dt, & | ^ Warning: ‘dedyid’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:2937:23: 2937 | dedyib, dedyic, dedyid, dedyt, dedyu, dedzia, dedzib, dedzic, dedzid, dedzt, dedzu, dt, & | ^ Warning: ‘dedyic’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:2937:15: 2937 | dedyib, dedyic, dedyid, dedyt, dedyu, dedzia, dedzib, dedzic, dedzid, dedzt, dedzu, dt, & | ^ Warning: ‘dedyib’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:2936:93: 2936 | REAL(dp) :: angle, cosine, dedphi, dedxia, dedxib, dedxic, dedxid, dedxt, dedxu, dedyia, & | ^ Warning: ‘dedyia’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:2936:71: 2936 | REAL(dp) :: angle, cosine, dedphi, dedxia, dedxib, dedxic, dedxid, dedxt, dedxu, dedyia, & | ^ Warning: ‘dedxid’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:2936:63: 2936 | REAL(dp) :: angle, cosine, dedphi, dedxia, dedxib, dedxic, dedxid, dedxt, dedxu, dedyia, & | ^ Warning: ‘dedxic’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:2936:55: 2936 | REAL(dp) :: angle, cosine, dedphi, dedxia, dedxib, dedxic, dedxid, dedxt, dedxu, dedyia, & | ^ Warning: ‘dedxib’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F:2936:47: 2936 | REAL(dp) :: angle, cosine, dedphi, dedxia, dedxib, dedxic, dedxid, dedxt, dedxu, dedyia, & | ^ Warning: ‘dedxia’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'colvar_methods.mod' due to: colvar_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_keyword_types.mod mixed_energy_types.mod colvar_types.mod cp_para_types.mod cell_types.mod force_env_types.mod wannier_states_types.mod input_section_types.mod qs_environment_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod cp_parser_types.mod input_enumeration_types.mod input_constants.mod cp_parser_methods.mod base_hooks.mod spherical_harmonics.mod constraint_fxd.mod message_passing.mod input_cp2k_colvar.mod cp_output_handling.mod kinds.mod rmsd.mod string_utilities.mod cp_log_handling.mod mathlib.mod cp_units.mod memory_utilities.mod mathconstants.mod mixed_environment_utils.mod fparser.mod kahan_sum.mod force_fields_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'colvar_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod colvar_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod force_env_types.mod molecule_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod input_constants.mod base_hooks.mod message_passing.mod kinds.mod rmsd.mod string_utilities.mod colvar_methods.mod mathlib.mod memory_utilities.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_utils.F colvar_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' colvar_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'colvar_utils.mod' due to: colvar_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/colvar_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod colvar_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod force_env_types.mod molecule_kind_list_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod input_constants.mod base_hooks.mod message_passing.mod kinds.mod rmsd.mod string_utilities.mod colvar_methods.mod mathlib.mod memory_utilities.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'averages_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/averages_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod md_ener_types.mod force_env_types.mod virial_types.mod cp_output_handling.mod kinds.mod base_hooks.mod colvar_utils.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/averages_types.F averages_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' averages_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'averages_types.mod' due to: averages_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/averages_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod md_ener_types.mod force_env_types.mod virial_types.mod cp_output_handling.mod kinds.mod base_hooks.mod colvar_utils.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'reftraj_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/reftraj_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/reftraj_types.F reftraj_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' reftraj_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'reftraj_types.mod' due to: reftraj_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/reftraj_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'md_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod barostat_types.mod md_ener_types.mod free_energy_types.mod simpar_types.mod thermostat_types.mod thermal_region_types.mod force_env_types.mod averages_types.mod extended_system_types.mod cp_para_types.mod reftraj_types.mod cp_para_env.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_environment_types.F md_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'md_environment_types.mod' due to: md_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod barostat_types.mod md_ener_types.mod free_energy_types.mod simpar_types.mod thermostat_types.mod thermal_region_types.mod force_env_types.mod averages_types.mod extended_system_types.mod cp_para_types.mod reftraj_types.mod cp_para_env.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'reftraj_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/reftraj_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod simpar_types.mod force_env_types.mod molecule_kind_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod md_environment_types.mod atomic_kind_types.mod reftraj_types.mod cp_parser_methods.mod base_hooks.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod machine.mod cp_units.mod cp_files.mod util.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/reftraj_util.F reftraj_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' reftraj_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mdctrl_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mdctrl_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mdctrl_types.F mdctrl_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mdctrl_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mdctrl_types.mod' due to: mdctrl_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/mdctrl_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'helium_types.mod' due to: helium_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_free_energy.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_free_energy.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_free_energy.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_free_energy.mod' due to: input_cp2k_free_energy.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_free_energy.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'metadynamics_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/metadynamics_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod metadynamics_types.mod input_keyword_types.mod force_env_types.mod cp_para_types.mod input_enumeration_types.mod cp_subsys_types.mod machine.mod input_constants.mod message_passing.mod cp_output_handling.mod input_cp2k_free_energy.mod kinds.mod base_hooks.mod cp_files.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/metadynamics_utils.F metadynamics_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' metadynamics_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'metadynamics_utils.mod' due to: metadynamics_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/metadynamics_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod metadynamics_types.mod input_keyword_types.mod force_env_types.mod cp_para_types.mod input_enumeration_types.mod cp_subsys_types.mod machine.mod input_constants.mod message_passing.mod cp_output_handling.mod input_cp2k_free_energy.mod kinds.mod base_hooks.mod cp_files.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_parsing.mod' due to: input_parsing.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_read.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_read.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod cp_units.mod base_hooks.mod input_parsing.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_read.F input_cp2k_read.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_read.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_read.mod' due to: input_cp2k_read.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_read.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod cp_units.mod base_hooks.mod input_parsing.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'graphcon.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/graphcon.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/graphcon.F graphcon.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' graphcon.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'graphcon.mod' due to: graphcon.o /build/cp2k-6PcaEs/cp2k-8.1/src/graphcon.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mm_mapping_library.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mm_mapping_library.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mm_mapping_library.F mm_mapping_library.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mm_mapping_library.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mm_mapping_library.mod' due to: mm_mapping_library.o /build/cp2k-6PcaEs/cp2k-8.1/src/mm_mapping_library.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod qmmm_types_low.mod cp_output_handling.mod graphcon.mod util.mod kinds.mod base_hooks.mod string_table.mod string_utilities.mod mm_mapping_library.mod periodic_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_util.F topology_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/topology_util.F:977:61: 977 | upper_sym_1 = id2str(atom_info%id_element(iatom)) | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_util.mod' due to: topology_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod qmmm_types_low.mod cp_output_handling.mod graphcon.mod util.mod kinds.mod base_hooks.mod string_table.mod string_utilities.mod mm_mapping_library.mod periodic_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_coordinate_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_coordinate_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod topology_types.mod qmmm_types_low.mod external_potential_types.mod exclusion_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod topology_util.mod memory_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod string_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_coordinate_util.F topology_coordinate_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_coordinate_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_coordinate_util.mod' due to: topology_coordinate_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_coordinate_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod topology_types.mod qmmm_types_low.mod external_potential_types.mod exclusion_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod topology_util.mod memory_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod string_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_restarts_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_restarts_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod particle_list_types.mod cp_linked_list_input.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_restarts_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_restarts_util.mod' due to: input_cp2k_restarts_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_restarts_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_val_types.mod particle_list_types.mod cp_linked_list_input.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_gromos.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_gromos.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod input_cp2k_restarts_util.mod string_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_gromos.F topology_gromos.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_gromos.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/topology_gromos.F:280:21: 280 | nsolute = natom | ^ Warning: ‘natom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_gromos.mod' due to: topology_gromos.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_gromos.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod input_cp2k_restarts_util.mod string_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_cif.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_cif.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod cp_parser_methods.mod memory_utilities.mod cell_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod string_table.mod cp_log_handling.mod fparser.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_cif.F topology_cif.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_cif.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_cif.mod' due to: topology_cif.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_cif.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod cp_parser_methods.mod memory_utilities.mod cell_methods.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod string_table.mod cp_log_handling.mod fparser.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_multiple_unit_cell.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_multiple_unit_cell.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod topology_types.mod memory_utilities.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_multiple_unit_cell.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_multiple_unit_cell.mod' due to: topology_multiple_unit_cell.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_multiple_unit_cell.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod topology_types.mod memory_utilities.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'subcell_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/subcell_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod base_hooks.mod util.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/subcell_types.F subcell_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' subcell_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'subcell_types.mod' due to: subcell_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/subcell_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod base_hooks.mod util.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_neighbor_lists.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_neighbor_lists.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod cell_types.mod input_section_types.mod distribution_1d_types.mod subcell_types.mod fist_neighbor_list_types.mod exclusion_types.mod atomic_kind_types.mod base_hooks.mod cp_output_handling.mod kinds.mod string_utilities.mod cp_log_handling.mod mathlib.mod cp_units.mod memory_utilities.mod qmmm_ff_fist.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_neighbor_lists.F fist_neighbor_lists.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_neighbor_lists.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_neighbor_lists.mod' due to: fist_neighbor_lists.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_neighbor_lists.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod cell_types.mod input_section_types.mod distribution_1d_types.mod subcell_types.mod fist_neighbor_list_types.mod exclusion_types.mod atomic_kind_types.mod base_hooks.mod cp_output_handling.mod kinds.mod string_utilities.mod cp_log_handling.mod mathlib.mod cp_units.mod memory_utilities.mod qmmm_ff_fist.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_generate_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod cell_types.mod qmmm_types_low.mod input_section_types.mod topology_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod topology_util.mod input_constants.mod base_hooks.mod cp_output_handling.mod kinds.mod string_utilities.mod cp_log_handling.mod mathlib.mod cp_units.mod memory_utilities.mod fist_neighbor_lists.mod string_table.mod util.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F topology_generate_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:39:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_generate_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F:1897:59: 1897 | atm_symbol = id2str(atom_info%id_element(i)) | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F:630:58: 630 | upper_sym_1 = id2str(atom_info%id_element(iatom)) | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F:1656:34: 1656 | ind = wrk(i)%array1(j) | ^ Warning: ‘wrk.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F:1656:34: Warning: ‘wrk.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F:1656:34: Warning: ‘wrk.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F:1178:22: 1178 | IF (do_it > 0) THEN | ^ Warning: ‘do_it’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F:764:35: 764 | rbond2 = rbond*rbond | ^ Warning: ‘rbond’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F:498:101: 498 | atom_info%map_mol_typ(ilast + 1), atom_info%map_mol_num(ilast + 1)) | ^ Warning: ‘ilast’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_generate_util.mod' due to: topology_generate_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_generate_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod cell_types.mod qmmm_types_low.mod input_section_types.mod topology_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod topology_util.mod input_constants.mod base_hooks.mod cp_output_handling.mod kinds.mod string_utilities.mod cp_log_handling.mod mathlib.mod cp_units.mod memory_utilities.mod fist_neighbor_lists.mod string_table.mod util.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_amber.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_amber.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod force_field_types.mod qmmm_ff_fist.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod util.mod kinds.mod topology_generate_util.mod base_hooks.mod input_cp2k_restarts_util.mod string_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_amber.F topology_amber.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_amber.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_amber.mod' due to: topology_amber.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_amber.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod force_field_types.mod qmmm_ff_fist.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod util.mod kinds.mod topology_generate_util.mod base_hooks.mod input_cp2k_restarts_util.mod string_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_pdb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_pdb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod cp2k_info.mod input_constants.mod qmmm_ff_fist.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod physcon.mod string_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_pdb.F topology_pdb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_pdb.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/topology_pdb.F:317:63: 317 | my_local=.FALSE.) | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_pdb.mod' due to: topology_pdb.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_pdb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod cp2k_info.mod input_constants.mod qmmm_ff_fist.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod physcon.mod string_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_xyz.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_xyz.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod string_table.mod periodic_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_xyz.F topology_xyz.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_xyz.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_xyz.mod' due to: topology_xyz.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_xyz.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod string_table.mod periodic_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_constraint_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_constraint_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod topology_types.mod qmmm_types_low.mod colvar_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod colvar_methods.mod input_constants.mod qmmm_ff_fist.mod memory_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod colvar_utils.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_constraint_util.F topology_constraint_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_constraint_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/topology_constraint_util.F:751:96: 751 | fixd_list(kk)%restraint%active = cons_info%fixed_mol_restraint(k1loc) | ^ Warning: ‘k1loc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/topology_constraint_util.F:101:77: 101 | INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & | ^ Warning: ‘itype’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_constraint_util.mod' due to: topology_constraint_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_constraint_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod topology_types.mod qmmm_types_low.mod colvar_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod colvar_methods.mod input_constants.mod qmmm_ff_fist.mod memory_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod colvar_utils.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_topology_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_topology_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod qmmm_types_low.mod molecule_kind_types.mod molecule_types.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod string_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_topology_util.F qmmm_topology_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_topology_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_topology_util.mod' due to: qmmm_topology_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_topology_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod qmmm_types_low.mod molecule_kind_types.mod molecule_types.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod string_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'force_fields_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 damping_dipole_types.mod shell_potential_types.mod cp_para_types.mod input_val_types.mod pair_potential_types.mod input_section_types.mod force_field_types.mod force_field_kind_types.mod cp_parser_types.mod cp_parser_methods.mod cp_linked_list_input.mod base_hooks.mod cp_output_handling.mod bibliography.mod kinds.mod string_utilities.mod cp_log_handling.mod mathlib.mod cp_units.mod memory_utilities.mod mathconstants.mod force_fields_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_input.F force_fields_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_fields_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_input.F:1289:71: 1289 | nonbonded%pot(start + isec)%pot%set(1)%gal%met1 = atm_names(1) | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_input.F:1290:71: 1290 | nonbonded%pot(start + isec)%pot%set(1)%gal%met2 = atm_names(2) | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'force_fields_input.mod' due to: force_fields_input.o /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_input.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 damping_dipole_types.mod shell_potential_types.mod cp_para_types.mod input_val_types.mod pair_potential_types.mod input_section_types.mod force_field_types.mod force_field_kind_types.mod cp_parser_types.mod cp_parser_methods.mod cp_linked_list_input.mod base_hooks.mod cp_output_handling.mod bibliography.mod kinds.mod string_utilities.mod cp_log_handling.mod mathlib.mod cp_units.mod memory_utilities.mod mathconstants.mod force_fields_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_psf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_psf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod input_constants.mod qmmm_ff_fist.mod topology_util.mod cp_parser_methods.mod memory_utilities.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod string_utilities.mod force_fields_input.mod string_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_psf.F topology_psf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_psf.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/topology_psf.F:780:81: 780 | extension=".psf", my_local=.FALSE.) | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_psf.mod' due to: topology_psf.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_psf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod input_constants.mod qmmm_ff_fist.mod topology_util.mod cp_parser_methods.mod memory_utilities.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod string_utilities.mod force_fields_input.mod string_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_xtl.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_xtl.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod mathlib.mod cp_parser_methods.mod cp_units.mod cell_methods.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod string_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_xtl.F topology_xtl.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_xtl.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_xtl.mod' due to: topology_xtl.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_xtl.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod mathlib.mod cp_parser_methods.mod cp_units.mod cell_methods.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod string_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_cp2k.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_cp2k.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod string_table.mod periodic_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_cp2k.F topology_cp2k.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_cp2k.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_cp2k.mod' due to: topology_cp2k.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_cp2k.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod topology_types.mod cp_parser_types.mod cp_para_types.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod string_table.mod periodic_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_connectivity_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_connectivity_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod force_field_kind_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod memory_utilities.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod string_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_connectivity_util.F topology_connectivity_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_connectivity_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_connectivity_util.mod' due to: topology_connectivity_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_connectivity_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod force_field_kind_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod memory_utilities.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod string_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod colvar_types.mod input_constants.mod memory_utilities.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology_input.F topology_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology_input.mod' due to: topology_input.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology_input.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod topology_types.mod colvar_types.mod input_constants.mod memory_utilities.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'topology.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/topology.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod colvar_types.mod cp_para_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod input_section_types.mod topology_types.mod molecule_kind_types.mod exclusion_types.mod atomic_kind_types.mod topology_gromos.mod input_constants.mod topology_util.mod topology_cif.mod base_hooks.mod mm_mapping_library.mod topology_multiple_unit_cell.mod colvar_utils.mod input_cp2k_binary_restarts.mod cell_methods.mod cp_output_handling.mod kinds.mod topology_coordinate_util.mod topology_generate_util.mod topology_amber.mod topology_pdb.mod cp_log_handling.mod topology_xyz.mod topology_constraint_util.mod qmmm_topology_util.mod topology_psf.mod topology_xtl.mod atoms_input.mod string_table.mod topology_cp2k.mod topology_connectivity_util.mod topology_input.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/topology.F topology.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' topology.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'topology.mod' due to: topology.o /build/cp2k-6PcaEs/cp2k-8.1/src/topology.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod colvar_types.mod cp_para_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod input_section_types.mod topology_types.mod molecule_kind_types.mod exclusion_types.mod atomic_kind_types.mod topology_gromos.mod input_constants.mod topology_util.mod topology_cif.mod base_hooks.mod mm_mapping_library.mod topology_multiple_unit_cell.mod colvar_utils.mod input_cp2k_binary_restarts.mod cell_methods.mod cp_output_handling.mod kinds.mod topology_coordinate_util.mod topology_generate_util.mod topology_amber.mod topology_pdb.mod cp_log_handling.mod topology_xyz.mod topology_constraint_util.mod qmmm_topology_util.mod topology_psf.mod topology_xtl.mod atoms_input.mod string_table.mod topology_cp2k.mod topology_connectivity_util.mod topology_input.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_subsys_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_subsys_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod molecule_kind_list_types.mod input_section_types.mod topology_types.mod molecule_kind_types.mod particle_list_types.mod cp_result_types.mod cp_subsys_types.mod atomic_kind_list_types.mod exclusion_types.mod atomic_kind_types.mod atprop_types.mod topology_util.mod input_constants.mod base_hooks.mod cp_para_env.mod kinds.mod topology_coordinate_util.mod colvar_methods.mod topology.mod string_table.mod topology_connectivity_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_subsys_methods.F cp_subsys_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_subsys_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_subsys_methods.mod' due to: cp_subsys_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_subsys_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod molecule_kind_list_types.mod input_section_types.mod topology_types.mod molecule_kind_types.mod particle_list_types.mod cp_result_types.mod cp_subsys_types.mod atomic_kind_list_types.mod exclusion_types.mod atomic_kind_types.mod atprop_types.mod topology_util.mod input_constants.mod base_hooks.mod cp_para_env.mod kinds.mod topology_coordinate_util.mod colvar_methods.mod topology.mod string_table.mod topology_connectivity_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_min_heap.mod' due to: cp_min_heap.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'distribution_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/distribution_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod input_section_types.mod distribution_1d_types.mod distribution_2d_types.mod molecule_kind_types.mod basis_set_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod base_hooks.mod message_passing.mod cp_output_handling.mod cp_array_utils.mod cp_min_heap.mod kinds.mod cp_log_handling.mod machine.mod mathlib.mod mathconstants.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/distribution_methods.F distribution_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' distribution_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'distribution_methods.mod' due to: distribution_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/distribution_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod input_section_types.mod distribution_1d_types.mod distribution_2d_types.mod molecule_kind_types.mod basis_set_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod base_hooks.mod message_passing.mod cp_output_handling.mod cp_array_utils.mod cp_min_heap.mod kinds.mod cp_log_handling.mod machine.mod mathlib.mod mathconstants.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mixed_environment.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_environment.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod distribution_1d_types.mod mixed_energy_types.mod atomic_kind_types.mod cp_para_types.mod molecule_kind_types.mod mixed_environment_types.mod molecule_types.mod cp_subsys_types.mod cell_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod distribution_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_environment.F mixed_environment.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_environment.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mixed_environment.mod' due to: mixed_environment.o /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_environment.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod distribution_1d_types.mod mixed_energy_types.mod atomic_kind_types.mod cp_para_types.mod molecule_kind_types.mod mixed_environment_types.mod molecule_types.mod cp_subsys_types.mod cell_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod distribution_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mixed_main.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_main.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod mixed_environment_types.mod cp_para_env.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod mixed_environment.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_main.F mixed_main.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_main.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_main.F:167:68: 167 | mixed_env%sub_logger(i)%p%iter_info%project_name = c_val | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mixed_main.mod' due to: mixed_main.o /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_main.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod mixed_environment_types.mod cp_para_env.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod mixed_environment.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'nnp_model.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_model.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 nnp_environment_types.mod cp_para_types.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_model.F nnp_model.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' nnp_model.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_model.F:186:94: 186 | arc%layer(i)%node_grad(j) = -1.0_dp*arc%layer(i)%node(j)*arc%layer(i)%node_grad(j) | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'nnp_model.mod' due to: nnp_model.o /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_model.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 nnp_environment_types.mod cp_para_types.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'nnp_acsf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_acsf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod nnp_environment_types.mod cp_para_types.mod mathconstants.mod kinds.mod base_hooks.mod periodic_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_acsf.F nnp_acsf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:40:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' nnp_acsf.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'nnp_acsf.mod' due to: nnp_acsf.o /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_acsf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod nnp_environment_types.mod cp_para_types.mod mathconstants.mod kinds.mod base_hooks.mod periodic_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'nnp_environment.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_environment.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_types.mod cell_types.mod input_section_types.mod nnp_environment_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_subsys_types.mod cp_parser_types.mod atomic_kind_types.mod nnp_model.mod cp_parser_methods.mod nnp_acsf.mod base_hooks.mod distribution_methods.mod cell_methods.mod bibliography.mod kinds.mod cp_log_handling.mod particle_methods.mod cp_subsys_methods.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_environment.F nnp_environment.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' nnp_environment.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_environment.F:734:68: 734 | WRITE (unit_nr, *) "NNP| NNP force environment initialized" | ^ Warning: ‘unit_nr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'nnp_environment.mod' due to: nnp_environment.o /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_environment.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_types.mod cell_types.mod input_section_types.mod nnp_environment_types.mod distribution_1d_types.mod molecule_kind_types.mod cp_subsys_types.mod cp_parser_types.mod atomic_kind_types.mod nnp_model.mod cp_parser_methods.mod nnp_acsf.mod base_hooks.mod distribution_methods.mod cell_methods.mod bibliography.mod kinds.mod cp_log_handling.mod particle_methods.mod cp_subsys_methods.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_nnp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_nnp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_nnp.F input_cp2k_nnp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_nnp.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_nnp.mod' due to: input_cp2k_nnp.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_nnp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_pwdft.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_pwdft.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_output_handling.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_pwdft.F input_cp2k_pwdft.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_pwdft.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_pwdft.mod' due to: input_cp2k_pwdft.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_pwdft.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod cp_output_handling.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_eip.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_eip.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_eip.F input_cp2k_eip.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_eip.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_eip.mod' due to: input_cp2k_eip.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_eip.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_embed.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_embed.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod bibliography.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_embed.F input_cp2k_embed.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_embed.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_embed.mod' due to: input_cp2k_embed.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_embed.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod bibliography.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_resp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_resp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_resp.F input_cp2k_resp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_resp.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_resp.mod' due to: input_cp2k_resp.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_resp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_atprop.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_atprop.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod base_hooks.mod bibliography.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_atprop.F input_cp2k_atprop.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_atprop.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_atprop.mod' due to: input_cp2k_atprop.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_atprop.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod base_hooks.mod bibliography.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_properties_dft.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_properties_dft.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_dft.mod input_constants.mod cp_units.mod input_cp2k_loc.mod cp_output_handling.mod input_cp2k_resp.mod bibliography.mod kinds.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod input_cp2k_atprop.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_properties_dft.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_properties_dft.mod' due to: input_cp2k_properties_dft.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_properties_dft.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_dft.mod input_constants.mod cp_units.mod input_cp2k_loc.mod cp_output_handling.mod input_cp2k_resp.mod bibliography.mod kinds.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod input_cp2k_atprop.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_mixed.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_mixed.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_mixed.F input_cp2k_mixed.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_mixed.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_mixed.mod' due to: input_cp2k_mixed.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_mixed.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_qmmm.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_qmmm.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_mm.mod input_constants.mod cp_units.mod cp_output_handling.mod input_cp2k_poisson.mod input_cp2k_subsys.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod pw_spline_utils.mod cp_spline_utils.mod cp_eri_mme_interface.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_qmmm.F input_cp2k_qmmm.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_qmmm.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_qmmm.mod' due to: input_cp2k_qmmm.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_qmmm.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_mm.mod input_constants.mod cp_units.mod cp_output_handling.mod input_cp2k_poisson.mod input_cp2k_subsys.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod pw_spline_utils.mod cp_spline_utils.mod cp_eri_mme_interface.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_force_eval.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_force_eval.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod input_constants.mod base_hooks.mod input_cp2k_mm.mod cp_output_handling.mod kinds.mod string_utilities.mod input_cp2k_nnp.mod input_cp2k_pwdft.mod input_cp2k_eip.mod input_cp2k_dft.mod cp_units.mod input_cp2k_subsys.mod input_cp2k_embed.mod input_cp2k_properties_dft.mod input_cp2k_mixed.mod input_cp2k_qmmm.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_force_eval.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_force_eval.mod' due to: input_cp2k_force_eval.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_force_eval.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod input_constants.mod base_hooks.mod input_cp2k_mm.mod cp_output_handling.mod kinds.mod string_utilities.mod input_cp2k_nnp.mod input_cp2k_pwdft.mod input_cp2k_eip.mod input_cp2k_dft.mod cp_units.mod input_cp2k_subsys.mod input_cp2k_embed.mod input_cp2k_properties_dft.mod input_cp2k_mixed.mod input_cp2k_qmmm.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'spglib_f08.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/spglib_f08.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/spglib_f08.F spglib_f08.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' spglib_f08.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'spglib_f08.mod' due to: spglib_f08.o /build/cp2k-6PcaEs/cp2k-8.1/src/spglib_f08.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cryssym.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cryssym.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 kinds.mod bibliography.mod base_hooks.mod string_utilities.mod spglib_f08.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cryssym.F cryssym.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cryssym.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cryssym.mod' due to: cryssym.o /build/cp2k-6PcaEs/cp2k-8.1/src/cryssym.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 kinds.mod bibliography.mod base_hooks.mod string_utilities.mod spglib_f08.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'molsym.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/molsym.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathlib.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/molsym.F molsym.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molsym.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'molsym.mod' due to: molsym.o /build/cp2k-6PcaEs/cp2k-8.1/src/molsym.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathlib.mod mathconstants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_symmetry.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_symmetry.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod atomic_kind_types.mod cryssym.mod string_utilities.mod cp_output_handling.mod molsym.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_symmetry.F cp_symmetry.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_symmetry.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_symmetry.mod' due to: cp_symmetry.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_symmetry.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod atomic_kind_types.mod cryssym.mod string_utilities.mod cp_output_handling.mod molsym.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_subsys_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_subsys_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod cell_types.mod atom_types.mod qs_subsys_types.mod external_potential_types.mod atomic_kind_types.mod cp_para_types.mod molecule_kind_types.mod cp_subsys_types.mod basis_set_types.mod cell_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_subsys_methods.F qs_subsys_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_subsys_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_subsys_methods.mod' due to: qs_subsys_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_subsys_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod cell_types.mod atom_types.mod qs_subsys_types.mod external_potential_types.mod atomic_kind_types.mod cp_para_types.mod molecule_kind_types.mod cp_subsys_types.mod basis_set_types.mod cell_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_gemm_interface.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_gemm_interface.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod input_constants.mod message_passing.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod string_utilities.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_gemm_interface.F cp_gemm_interface.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_gemm_interface.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_gemm_interface.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_gemm_interface.mod' due to: cp_gemm_interface.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_gemm_interface.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod input_constants.mod message_passing.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod string_utilities.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_fm_diag.mod' due to: cp_fm_diag.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dkh_main.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/dkh_main.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_environment_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod cp_fm_cholesky.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod cp_fm_basic_linalg.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/dkh_main.F dkh_main.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dkh_main.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/dkh_main.F:101:37: 101 | SUBROUTINE DKH_full_transformation(qs_env, matrix_s, matrix_v, matrix_t, matrix_pVp, n, dkh_order) | ^ Warning: ‘dkh_full_transformation’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/dkh_main.F:746:20: 746 | SUBROUTINE even4a(n, ev4, e1, pe1p, vv, gg) | ^ Warning: ‘even4a’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dkh_main.mod' due to: dkh_main.o /build/cp2k-6PcaEs/cp2k-8.1/src/dkh_main.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_environment_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod cp_fm_cholesky.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod cp_fm_basic_linalg.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_operators.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_operators.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atom_types.mod qs_grid_atom.mod mathlib.mod input_constants.mod mathconstants.mod atom_utils.mod kinds.mod base_hooks.mod ai_onecenter.mod lapack.mod periodic_table.mod dkh_main.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_operators.F atom_operators.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_operators.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_operators.mod' due to: atom_operators.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_operators.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atom_types.mod qs_grid_atom.mod mathlib.mod input_constants.mod mathconstants.mod atom_utils.mod kinds.mod base_hooks.mod ai_onecenter.mod lapack.mod periodic_table.mod dkh_main.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_check.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_check.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_parser_types.mod input_val_types.mod cp_para_types.mod input_constants.mod cp_units.mod memory_utilities.mod xc_input_constants.mod kinds.mod base_hooks.mod input_parsing.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_check.F input_cp2k_check.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_check.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_check.mod' due to: input_cp2k_check.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_check.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod cp_parser_types.mod input_val_types.mod cp_para_types.mod input_constants.mod cp_units.mod memory_utilities.mod xc_input_constants.mod kinds.mod base_hooks.mod input_parsing.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_xlda_hole_t_c_lr.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathlib.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xlda_hole_t_c_lr.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: 291 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t7’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t67’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t15’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F:291:102: Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_xlda_hole_t_c_lr.mod' due to: xc_xlda_hole_t_c_lr.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xlda_hole_t_c_lr.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathlib.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_hcth.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_hcth.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_hcth.F xc_hcth.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:41:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_hcth.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_hcth.mod' due to: xc_hcth.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_hcth.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_functionals_utilities.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_functionals_utilities.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_functionals_utilities.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_functionals_utilities.F:68:31: 68 | SUBROUTINE setup_calculation(order, m, calc, tag) | ^ Warning: ‘setup_calculation’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_functionals_utilities.mod' due to: xc_functionals_utilities.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_functionals_utilities.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_ke_gga.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_ke_gga.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod cp_array_utils.mod mathconstants.mod xc_input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_ke_gga.F xc_ke_gga.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_ke_gga.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_ke_gga.mod' due to: xc_ke_gga.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_ke_gga.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod cp_array_utils.mod mathconstants.mod xc_input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_xpbe_hole_t_c_lr.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathlib.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xpbe_hole_t_c_lr.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t89’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1070:24: 1070 | t586 = t86*t225 | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1020:32: 1020 | t352 = 0.1e1_dp/t85/t33 | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t81’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1031:23: 1031 | t415 = t79*t21 | ^ Warning: ‘t79’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1066:38: 1066 | t531 = F1*t235*t34 - t77*t529 | ^ Warning: ‘t77’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t75’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1034:23: 1034 | t461 = t74*t21 | ^ Warning: ‘t74’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t7’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t64’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t58’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1008:22: 1008 | t305 = t56**2 | ^ Warning: ‘t56’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t52’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1007:28: 1007 | t299 = 0.1e1_dp/t51 | ^ Warning: ‘t51’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:978:47: 978 | t211 = 0.2e1_dp/0.3e1_dp*t50*t93*t7*t4 | ^ Warning: ‘t50’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t45’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:996:27: 996 | *t37*t248 | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t38’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t34’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1002:45: 1002 | t280 = 0.1e1_dp/t21*t33*t276*t1*t278 | ^ Warning: ‘t33’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:976:59: 976 | t204 = 4*t193*t185 + 5*t196*t197 + 6*t200*t31*t174 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:991:24: 991 | t242 = t27*t225 | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: 1028 | t406 = t25*t31 | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:985:54: 985 | *t41 - 0.9e1_dp/0.4e1_dp*t22*t221*t204 | ^ Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1034:23: 1034 | t461 = t74*t21 | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:988:24: 988 | t232 = t19*t225 | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1014:22: 1014 | t330 = g4*t17 | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t158’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t152’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t151’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1009:34: 1009 | t307 = 0.1e1_dp/t305*t150 | ^ Warning: ‘t150’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t146’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t143’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t142’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t140’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t138’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t135’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t130’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:987:24: 987 | t229 = t13*t225 | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t127’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:999:28: 999 | t272 = t268/t12/t13 | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t110’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:965:23: 965 | t183 = t12*t11 | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1058:34: 1058 | Clda)*sx | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:1090:50: 1090 | *t155)*Clda)*sx | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:653:49: 653 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 | ^ Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: 779 | t409*(t281 - t235*t41*t292)) | ^ Warning: ‘t99’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:696:42: 696 | *(t262 - t235*t41*t248)) | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: 779 | t409*(t281 - t235*t41*t292)) | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:709:29: 709 | t475 = t473*t87*t218 | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:701:23: 701 | t429 = t86*t56 | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:696:42: 696 | *(t262 - t235*t41*t248)) | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:696:42: Warning: ‘t77’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:722:23: 722 | t541 = t73*t21 | ^ Warning: ‘t73’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:772:38: 772 | t677 = F1*t279*t34 - t71*t675 | ^ Warning: ‘t71’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t7’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t64’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t58’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:701:23: 701 | t429 = t86*t56 | ^ Warning: ‘t56’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t52’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: 779 | t409*(t281 - t235*t41*t292)) | ^ Warning: ‘t51’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:645:48: 645 | t255 = 0.2e1_dp/0.3e1_dp*t50*t125*t7*t4 | ^ Warning: ‘t50’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t45’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:628:24: 628 | t217 = t216*t40 | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:664:27: 664 | *t37*t292 | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t38’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:658:24: 658 | t280 = t279*t34 | ^ Warning: ‘t34’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:705:33: 705 | t445 = 0.1e1_dp/t117/t33 | ^ Warning: ‘t33’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:720:25: 720 | t533 = t25*t31*C | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:643:63: 643 | t248 = 4*t237*t229 + 5*t240*t27*t218 + 6*t244*t31*t218 | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:720:25: 720 | t533 = t25*t31*C | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:653:49: 653 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 | ^ Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:715:24: 715 | t504 = t429*t21 | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t202’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t199’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t196’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t195’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:676:34: 676 | t349 = 0.1e1_dp/t347*t194 | ^ Warning: ‘t194’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t190’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:704:24: 704 | t437 = t227*t19 | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t187’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t183’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t181’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t178’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t177’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t176’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t175’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t173’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t170’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:641:22: 641 | t240 = a4*t17 | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t167’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t164’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t163’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t159’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t152’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t150’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t147’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: Warning: ‘t144’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:781:25: 781 | t720 = t143*t269 | ^ Warning: ‘t143’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t142’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: Warning: ‘t140’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t136’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:655:24: 655 | t273 = t13*t269 | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t129’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:644:34: 644 | t251 = t236*t125*t37*t248 | ^ Warning: ‘t125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t123’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t121’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:779:46: 779 | t409*(t281 - t235*t41*t292)) | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:788:25: 788 | t808 = t118*t269 | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:705:33: 705 | t445 = 0.1e1_dp/t117/t33 | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:729:25: 729 | t612 = t429*t116 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:767:34: 767 | Clda)*sx | ^ Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:681:23: 681 | t373 = t73*t11 | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:822:81: 822 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:710:30: 710 | t479 = t108*t429*t331 | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:708:25: 708 | t473 = t424*t107 | ^ Warning: ‘t107’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:667:30: 667 | t314 = t312*t106*t107 | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:726:25: 726 | t603 = t437*t105 | ^ Warning: ‘t105’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F:724:29: 724 | t581 = t64*t118*t103 | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_xpbe_hole_t_c_lr.mod' due to: xc_xpbe_hole_t_c_lr.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xpbe_hole_t_c_lr.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathlib.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_optx.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_optx.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod cp_array_utils.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_optx.F xc_optx.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_optx.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_optx.mod' due to: xc_optx.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_optx.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod cp_array_utils.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_xbecke88.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88.F xc_xbecke88.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbecke88.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_xbecke88.mod' due to: xc_xbecke88.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_xwpbe.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathlib.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F xc_xwpbe.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xwpbe.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5635:90: 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho | ^ Warning: ‘dqrho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:983:76: 983 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: ‘dqrho’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5671:94: 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) | ^ Warning: ‘dqndrho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:983:69: 983 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: ‘dqndrho’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1416:88: 1416 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0 | ^ Warning: ‘t408’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t403’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: Warning: ‘t402’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: Warning: ‘t401’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1429:56: 1429 | *t114*t820*t1076 - t113*t114*t321*t1101 | ^ Warning: ‘t399’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1429:56: Warning: ‘t398’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1429:56: Warning: ‘t396’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1429:56: Warning: ‘t395’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1429:56: Warning: ‘t393’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1423:41: 1423 | *t1094 - t113*t114*t1098 | ^ Warning: ‘t392’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1423:41: Warning: ‘t389’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t385’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: Warning: ‘t383’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: Warning: ‘t380’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t379’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t376’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t375’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t372’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t371’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t366’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: Warning: ‘t364’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: Warning: ‘t361’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t360’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t357’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1429:56: 1429 | *t114*t820*t1076 - t113*t114*t321*t1101 | ^ Warning: ‘t352’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1423:41: 1423 | *t1094 - t113*t114*t1098 | ^ Warning: ‘t350’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t349’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1423:41: 1423 | *t1094 - t113*t114*t1098 | ^ Warning: ‘t347’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1391:132: 1391 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 | ^ Warning: ‘t346’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: 1385 | *t902 - t113*t114*t906 | ^ Warning: ‘t343’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1377:25: 1377 | t874 = t342*t190 | ^ Warning: ‘t342’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1375:54: 1375 | - t76*t865*Clda)*sx0 | ^ Warning: ‘t340’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t335’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t334’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: Warning: ‘t333’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: Warning: ‘t332’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1400:31: 1400 | t1069 = t331*t333*t352 | ^ Warning: ‘t331’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t330’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t329’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t328’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t327’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t326’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t325’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1396:32: 1396 | *t114*t321*t909 | ^ Warning: ‘t323’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1396:32: Warning: ‘t322’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1350:94: 1350 | *t114*t820*t640) - (t113*t114*t321*t681) | ^ Warning: ‘t321’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1396:32: 1396 | *t114*t321*t909 | ^ Warning: ‘t319’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1396:32: Warning: ‘t318’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1350:94: 1350 | *t114*t820*t640) - (t113*t114*t321*t681) | ^ Warning: ‘t317’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1391:132: 1391 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 | ^ Warning: ‘t315’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1332:30: 1332 | t113*t114*t678 | ^ Warning: ‘t314’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: 1385 | *t902 - t113*t114*t906 | ^ Warning: ‘t311’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1391:132: 1391 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 | ^ Warning: ‘t308’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1391:132: Warning: ‘t307’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: 1385 | *t902 - t113*t114*t906 | ^ Warning: ‘t305’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t301’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t300’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1334:33: 1334 | t759 = 0.1e1_dp/t299/t83 | ^ Warning: ‘t299’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t297’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t294’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t293’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: Warning: ‘t288’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: Warning: ‘t283’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t280’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t277’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t276’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t273’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t272’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t270’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t267’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t266’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t263’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t260’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t257’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t256’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1396:32: 1396 | *t114*t321*t909 | ^ Warning: ‘t254’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t253’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: 1385 | *t902 - t113*t114*t906 | ^ Warning: ‘t251’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t250’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: 1385 | *t902 - t113*t114*t906 | ^ Warning: ‘t248’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1350:94: 1350 | *t114*t820*t640) - (t113*t114*t321*t681) | ^ Warning: ‘t247’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: 1385 | *t902 - t113*t114*t906 | ^ Warning: ‘t244’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: Warning: ‘t241’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: Warning: ‘t240’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: Warning: ‘t238’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1416:88: 1416 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0 | ^ Warning: ‘t235’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1312:122: 1312 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) | ^ Warning: ‘t232’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1319:63: 1319 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 | ^ Warning: ‘t231’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1319:63: Warning: ‘t229’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1312:122: 1312 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) | ^ Warning: ‘t228’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1429:56: 1429 | *t114*t820*t1076 - t113*t114*t321*t1101 | ^ Warning: ‘t227’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1305:34: 1305 | (48._dp*t224*t181) | ^ Warning: ‘t224’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1305:34: Warning: ‘t220’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1305:34: Warning: ‘t219’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1305:34: Warning: ‘t216’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1305:34: Warning: ‘t215’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1312:122: 1312 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) | ^ Warning: ‘t213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1301:25: 1301 | t543 = t212*t156 | ^ Warning: ‘t212’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1398:31: 1398 | t1062 = t851*t852*t211 | ^ Warning: ‘t211’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1300:72: 1300 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146) | ^ Warning: ‘t208’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1300:72: Warning: ‘t207’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1397:30: 1397 | t1056 = 0.1e1_dp/t206 | ^ Warning: ‘t206’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1300:72: 1300 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146) | ^ Warning: ‘t203’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1300:72: Warning: ‘t202’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1312:122: 1312 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) | ^ Warning: ‘t199’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: 1385 | *t902 - t113*t114*t906 | ^ Warning: ‘t197’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1312:122: 1312 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) | ^ Warning: ‘t194’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1391:132: 1391 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 | ^ Warning: ‘t191’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1377:25: 1377 | t874 = t342*t190 | ^ Warning: ‘t190’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1298:53: 1298 | t193 + 0.6e1_dp*t68*t69*t520*t71 | ^ Warning: ‘t189’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1312:122: 1312 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) | ^ Warning: ‘t188’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1312:122: Warning: ‘t186’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1298:53: 1298 | t193 + 0.6e1_dp*t68*t69*t520*t71 | ^ Warning: ‘t185’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1396:32: 1396 | *t114*t321*t909 | ^ Warning: ‘t184’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1305:34: 1305 | (48._dp*t224*t181) | ^ Warning: ‘t181’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1305:34: Warning: ‘t175’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: 1287 | t12*t61) | ^ Warning: ‘t173’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1305:34: 1305 | (48._dp*t224*t181) | ^ Warning: ‘t169’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: 1287 | t12*t61) | ^ Warning: ‘t168’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: Warning: ‘t167’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1305:34: 1305 | (48._dp*t224*t181) | ^ Warning: ‘t166’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1288:24: 1288 | t508 = t165*t13 | ^ Warning: ‘t165’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: 1287 | t12*t61) | ^ Warning: ‘t159’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1319:63: 1319 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 | ^ Warning: ‘t158’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1298:53: 1298 | t193 + 0.6e1_dp*t68*t69*t520*t71 | ^ Warning: ‘t157’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1301:25: 1301 | t543 = t212*t156 | ^ Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1324:24: 1324 | t656 = t31*t154 | ^ Warning: ‘t154’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1278:33: 1278 | t454 = 0.1e1_dp/t153/t65 | ^ Warning: ‘t153’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1298:53: 1298 | t193 + 0.6e1_dp*t68*t69*t520*t71 | ^ Warning: ‘t151’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1312:122: 1312 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) | ^ Warning: ‘t150’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t149’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t146’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t142’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1271:25: 1271 | t430 = t141*t135 | ^ Warning: ‘t141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1276:55: 1276 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438) | ^ Warning: ‘t140’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t139’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: Warning: ‘t132’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1391:132: 1391 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 | ^ Warning: ‘t131’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1290:24: 1290 | t515 = t42*t130 | ^ Warning: ‘t130’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1269:34: 1269 | t425 = t54*r3*t56*t6*t129 | ^ Warning: ‘t129’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1276:55: 1276 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438) | ^ Warning: ‘t125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t124’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t98’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1429:56: 1429 | *t114*t820*t1076 - t113*t114*t321*t1101 | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1197:22: 1197 | t299 = t93**2 | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1270:27: 1270 | t428 = t21/t9/t425 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1238:47: 1238 | t364 = f12*(2._dp*t343*t89 + t79*t361) | ^ Warning: ‘t89’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1396:32: 1396 | *t114*t321*t909 | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1399:35: 1399 | t1066 = t331*t332*t227*t83 | ^ Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1234:53: 1234 | t352 = 2._dp*t343*t81 + t79*t347 - t113*t350 | ^ Warning: ‘t81’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1396:32: 1396 | *t114*t321*t909 | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t79’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1339:23: 1339 | t811 = t78*t16 | ^ Warning: ‘t78’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1439:62: 1439 | e_ndrho_ndrho = e_ndrho_ndrho + (-t76*t1205*Clda)*sx0 | ^ Warning: ‘t76’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1320:22: 1320 | t633 = t74**2 | ^ Warning: ‘t74’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1319:63: 1319 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 | ^ Warning: ‘t73’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1312:122: 1312 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) | ^ Warning: ‘t72’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t70’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1418:24: 1418 | t1080 = t69*t13 | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1298:53: 1298 | t193 + 0.6e1_dp*t68*t69*t520*t71 | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1319:63: 1319 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 | ^ Warning: ‘t67’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1162:25: 1162 | t231 = t66*ndrho | ^ Warning: ‘t66’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1316:30: 1316 | a5*t18*t52*t63 | ^ Warning: ‘t63’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: 1287 | t12*t61) | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1131:31: 1131 | t181 = t58/t59/rho*t61 | ^ Warning: ‘t59’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: 1287 | t12*t61) | ^ Warning: ‘t53’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1276:55: 1276 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438) | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1316:30: 1316 | a5*t18*t52*t63 | ^ Warning: ‘t47’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: 1287 | t12*t61) | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1272:26: 1272 | t434 = t44*t28*t7 | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1290:24: 1290 | t515 = t42*t130 | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: 1287 | t12*t61) | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1158:26: 1158 | t224 = a5*t36*t52 | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: 1287 | t12*t61) | ^ Warning: ‘t34’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: Warning: ‘t33’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1281:32: 1281 | t465 = t32*t154*t78*t42 | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1396:32: 1396 | *t114*t321*t909 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1273:28: 1273 | t438 = t24*t173*t28 | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1292:23: 1292 | t520 = t26*t15 | ^ Warning: ‘t26’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1287:49: 1287 | t12*t61) | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1273:28: 1273 | t438 = t24*t173*t28 | ^ Warning: ‘t24’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1276:55: 1276 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438) | ^ Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1276:55: Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1276:55: Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1316:30: 1316 | a5*t18*t52*t63 | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1312:122: 1312 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1415:132: 1415 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) | ^ Warning: ‘t15’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1319:63: 1319 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 | ^ Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1418:24: 1418 | t1080 = t69*t13 | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1375:54: 1375 | - t76*t865*Clda)*sx0 | ^ Warning: ‘t122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1429:56: 1429 | *t114*t820*t1076 - t113*t114*t321*t1101 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1429:56: Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1332:30: 1332 | t113*t114*t678 | ^ Warning: ‘t114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1385:38: 1385 | *t902 - t113*t114*t906 | ^ Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1229:24: 1229 | t343 = t342*t11 | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t107’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1438:81: 1438 | + t403*t1066 + t403*t1069) | ^ Warning: ‘t104’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: 1373 | *t331*t333*t253) | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: Warning: ‘t101’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1373:132: Warning: ‘t100’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1217:22: 1217 | t328 = t3*t10 | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1148:24: 1148 | t206 = t1*ndrho | ^ Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5635:90: 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho | ^ Warning: ‘dqrho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:362:76: 362 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: ‘dqrho’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: 885 | *t71*t678)/0.2e1_dp) | ^ Warning: ‘dqndrho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:912:88: 912 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t269*t520 - t76*t1369*Clda)*sx0 | ^ Warning: ‘t520’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t515’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t514’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t513’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:929:56: 929 | *t148*t983*t1372 - t147*t148*t404*t1395 | ^ Warning: ‘t511’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:929:56: Warning: ‘t510’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:929:56: Warning: ‘t508’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:929:56: Warning: ‘t507’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:929:56: Warning: ‘t505’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:919:32: 919 | t147*t148*t1392 | ^ Warning: ‘t504’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:919:32: Warning: ‘t501’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t497’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t495’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t491’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:886:26: 886 | t1263 = t489*t136 | ^ Warning: ‘t489’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t485’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t484’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t480’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: 885 | *t71*t678)/0.2e1_dp) | ^ Warning: ‘t479’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: Warning: ‘t478’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t476’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:870:45: 870 | + t888*t148*t889*t261) | ^ Warning: ‘t475’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: 885 | *t71*t678)/0.2e1_dp) | ^ Warning: ‘t472’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t465’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t463’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t449’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t447’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t446’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:921:112: 921 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) | ^ Warning: ‘t444’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:866:93: 866 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) | ^ Warning: ‘t443’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:866:93: Warning: ‘t440’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t435’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:919:32: 919 | t147*t148*t1392 | ^ Warning: ‘t433’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:921:112: 921 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) | ^ Warning: ‘t432’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:919:32: 919 | t147*t148*t1392 | ^ Warning: ‘t430’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:892:72: 892 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 | ^ Warning: ‘t429’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: 862 | - t147*t148*t1114 | ^ Warning: ‘t426’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:853:26: 853 | t1082 = t425*t224 | ^ Warning: ‘t425’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:851:55: 851 | - t76*t1073*Clda)*sx0 | ^ Warning: ‘t423’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t418’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t417’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t416’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:900:35: 900 | t1362 = t414*t415*t261*t83 | ^ Warning: ‘t415’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t414’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t413’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: 911 | + t412*t1362 + t412*t1365)) | ^ Warning: ‘t412’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t411’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t410’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t409’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: 911 | + t412*t1362 + t412*t1365)) | ^ Warning: ‘t408’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:897:33: 897 | *t148*t404*t1117 | ^ Warning: ‘t406’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:897:33: Warning: ‘t405’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:818:51: 818 | *(t628)*(t391) + (4._dp*t394*t406) | ^ Warning: ‘t404’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:897:33: 897 | *t148*t404*t1117 | ^ Warning: ‘t402’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:897:33: Warning: ‘t401’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:818:51: 818 | *(t628)*(t391) + (4._dp*t394*t406) | ^ Warning: ‘t400’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:892:72: 892 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 | ^ Warning: ‘t398’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:776:26: 776 | *t148*t788 | ^ Warning: ‘t397’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: 862 | - t147*t148*t1114 | ^ Warning: ‘t394’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:892:72: 892 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 | ^ Warning: ‘t391’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:892:72: Warning: ‘t390’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: 862 | - t147*t148*t1114 | ^ Warning: ‘t388’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: 911 | + t412*t1362 + t412*t1365)) | ^ Warning: ‘t384’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t383’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: 911 | + t412*t1362 + t412*t1365)) | ^ Warning: ‘t381’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: Warning: ‘t377’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: Warning: ‘t376’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: Warning: ‘t374’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:799:25: 799 | t952 = t372*t136 | ^ Warning: ‘t372’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: 885 | *t71*t678)/0.2e1_dp) | ^ Warning: ‘t368’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: Warning: ‘t367’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: Warning: ‘t363’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t362’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: 885 | *t71*t678)/0.2e1_dp) | ^ Warning: ‘t361’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: Warning: ‘t359’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:897:33: 897 | *t148*t404*t1117 | ^ Warning: ‘t358’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t357’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t356’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t355’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t347’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t345’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t344’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:793:30: 793 | t910 = t119*t343*t123 | ^ Warning: ‘t343’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t342’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:870:45: 870 | + t888*t148*t889*t261) | ^ Warning: ‘t340’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t339’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t338’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t336’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: 885 | *t71*t678)/0.2e1_dp) | ^ Warning: ‘t327’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t326’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:782:24: 782 | t854 = t323*t83 | ^ Warning: ‘t323’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: 885 | *t71*t678)/0.2e1_dp) | ^ Warning: ‘t321’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: Warning: ‘t314’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: 911 | + t412*t1362 + t412*t1365)) | ^ Warning: ‘t307’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t306’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: 911 | + t412*t1362 + t412*t1365)) | ^ Warning: ‘t304’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: 885 | *t71*t678)/0.2e1_dp) | ^ Warning: ‘t303’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:866:93: 866 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) | ^ Warning: ‘t301’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:780:132: 780 | *t553*t66 - 2._dp*t297*t284 + 2._dp*t86*t784 - t86*t788)) | ^ Warning: ‘t300’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:866:93: 866 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) | ^ Warning: ‘t297’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:866:93: Warning: ‘t294’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:866:93: Warning: ‘t291’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:780:132: 780 | *t553*t66 - 2._dp*t297*t284 + 2._dp*t86*t784 - t86*t788)) | ^ Warning: ‘t290’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:897:33: 897 | *t148*t404*t1117 | ^ Warning: ‘t288’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: 911 | + t412*t1362 + t412*t1365)) | ^ Warning: ‘t287’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: 862 | - t147*t148*t1114 | ^ Warning: ‘t285’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:866:93: 866 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) | ^ Warning: ‘t284’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: 862 | - t147*t148*t1114 | ^ Warning: ‘t282’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:818:51: 818 | *(t628)*(t391) + (4._dp*t394*t406) | ^ Warning: ‘t281’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: 862 | - t147*t148*t1114 | ^ Warning: ‘t278’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: Warning: ‘t275’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: Warning: ‘t274’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: Warning: ‘t272’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:912:88: 912 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t269*t520 - t76*t1369*Clda)*sx0 | ^ Warning: ‘t269’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:756:65: 756 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: ‘t266’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:763:63: 763 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 | ^ Warning: ‘t265’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:763:63: Warning: ‘t263’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:756:65: 756 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: ‘t262’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:870:45: 870 | + t888*t148*t889*t261) | ^ Warning: ‘t261’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: 749 | (48._dp*t258*t215) | ^ Warning: ‘t258’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: Warning: ‘t254’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: Warning: ‘t253’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: Warning: ‘t250’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: Warning: ‘t249’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:756:65: 756 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: ‘t247’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:744:25: 744 | t655 = t246*t190 | ^ Warning: ‘t246’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:899:33: 899 | t1358 = t1059*t1060*t245 | ^ Warning: ‘t245’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:743:72: 743 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) | ^ Warning: ‘t242’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:743:72: Warning: ‘t241’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:898:30: 898 | t1352 = 0.1e1_dp/t240 | ^ Warning: ‘t240’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:743:72: 743 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) | ^ Warning: ‘t237’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:743:72: Warning: ‘t236’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:756:65: 756 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: ‘t233’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: 862 | - t147*t148*t1114 | ^ Warning: ‘t231’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:756:65: 756 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: ‘t228’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:892:72: 892 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 | ^ Warning: ‘t225’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:853:26: 853 | t1082 = t425*t224 | ^ Warning: ‘t224’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:741:53: 741 | t227 + 0.6e1_dp*t68*t69*t632*t71 | ^ Warning: ‘t223’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:756:65: 756 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: ‘t222’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:756:65: Warning: ‘t220’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:741:53: 741 | t227 + 0.6e1_dp*t68*t69*t632*t71 | ^ Warning: ‘t219’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:897:33: 897 | *t148*t404*t1117 | ^ Warning: ‘t218’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: 749 | (48._dp*t258*t215) | ^ Warning: ‘t215’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: Warning: ‘t209’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: 730 | t12*t61) | ^ Warning: ‘t207’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: 749 | (48._dp*t258*t215) | ^ Warning: ‘t203’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: 730 | t12*t61) | ^ Warning: ‘t202’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: Warning: ‘t201’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: 749 | (48._dp*t258*t215) | ^ Warning: ‘t200’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:731:24: 731 | t620 = t199*t13 | ^ Warning: ‘t199’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: 730 | t12*t61) | ^ Warning: ‘t193’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:763:63: 763 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 | ^ Warning: ‘t192’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:741:53: 741 | t227 + 0.6e1_dp*t68*t69*t632*t71 | ^ Warning: ‘t191’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:744:25: 744 | t655 = t246*t190 | ^ Warning: ‘t190’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:871:26: 871 | t1242 = t245*t188 | ^ Warning: ‘t188’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:721:33: 721 | t566 = 0.1e1_dp/t187/t65 | ^ Warning: ‘t187’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:741:53: 741 | t227 + 0.6e1_dp*t68*t69*t632*t71 | ^ Warning: ‘t185’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:756:65: 756 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: ‘t184’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t183’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: 749 | (48._dp*t258*t215) | ^ Warning: ‘t180’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: Warning: ‘t176’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:713:25: 713 | t542 = t175*t169 | ^ Warning: ‘t175’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:719:70: 719 | *t550) | ^ Warning: ‘t174’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:749:34: 749 | (48._dp*t258*t215) | ^ Warning: ‘t173’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t172’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:743:72: 743 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) | ^ Warning: ‘t166’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:892:72: 892 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 | ^ Warning: ‘t165’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t164’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:711:34: 711 | t537 = t54*r3*t56*t6*t163 | ^ Warning: ‘t163’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:743:72: 743 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) | ^ Warning: ‘t160’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:719:70: 719 | *t550) | ^ Warning: ‘t159’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t158’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:929:56: 929 | *t148*t983*t1372 - t147*t148*t404*t1395 | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:712:27: 712 | t540 = t21/t9/t537 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:674:41: 674 | t446 = 2._dp*t426*t89 + t79*t444 | ^ Warning: ‘t89’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:780:132: 780 | *t553*t66 - 2._dp*t297*t284 + 2._dp*t86*t784 - t86*t788)) | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:921:112: 921 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:897:33: 897 | *t148*t404*t1117 | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:670:53: 670 | t435 = 2._dp*t426*t81 + t79*t430 - t147*t433 | ^ Warning: ‘t81’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:897:33: 897 | *t148*t404*t1117 | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:776:26: 776 | *t148*t788 | ^ Warning: ‘t79’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:807:24: 807 | t1023 = t78*t16 | ^ Warning: ‘t78’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:949:62: 949 | e_ndrho_ndrho = e_ndrho_ndrho + (-t76*t1561*Clda)*sx0 | ^ Warning: ‘t76’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:764:22: 764 | t744 = t74**2 | ^ Warning: ‘t74’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:763:63: 763 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 | ^ Warning: ‘t73’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:756:65: 756 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: ‘t72’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:776:26: 776 | *t148*t788 | ^ Warning: ‘t70’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:870:45: 870 | + t888*t148*t889*t261) | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:741:53: 741 | t227 + 0.6e1_dp*t68*t69*t632*t71 | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:763:63: 763 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 | ^ Warning: ‘t67’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:572:25: 572 | t265 = t66*ndrho | ^ Warning: ‘t66’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:658:24: 658 | t416 = t415*t65 | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:760:30: 760 | a5*t18*t52*t63 | ^ Warning: ‘t63’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: 730 | t12*t61) | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:541:31: 541 | t215 = t58/t59/rho*t61 | ^ Warning: ‘t59’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: 730 | t12*t61) | ^ Warning: ‘t53’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:719:70: 719 | *t550) | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:760:30: 760 | a5*t18*t52*t63 | ^ Warning: ‘t47’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: 730 | t12*t61) | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:714:26: 714 | t546 = t44*t28*t7 | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:733:24: 733 | t627 = t42*t164 | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: 730 | t12*t61) | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:568:26: 568 | t258 = a5*t36*t52 | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: 730 | t12*t61) | ^ Warning: ‘t34’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: Warning: ‘t33’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:724:32: 724 | t577 = t32*t188*t78*t42 | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:821:23: 821 | t1057 = t31**2 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:760:30: 760 | a5*t18*t52*t63 | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:715:28: 715 | t550 = t24*t207*t28 | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:735:23: 735 | t632 = t26*t15 | ^ Warning: ‘t26’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:730:49: 730 | t12*t61) | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:715:28: 715 | t550 = t24*t207*t28 | ^ Warning: ‘t24’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:719:70: 719 | *t550) | ^ Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:719:70: Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:719:70: Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:760:30: 760 | a5*t18*t52*t63 | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:756:65: 756 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:851:55: 851 | - t76*t1073*Clda)*sx0 | ^ Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:929:56: 929 | *t148*t983*t1372 - t147*t148*t404*t1395 | ^ Warning: ‘t150’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:866:93: 866 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) | ^ Warning: ‘t15’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:929:56: 929 | *t148*t983*t1372 - t147*t148*t404*t1395 | ^ Warning: ‘t149’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:776:26: 776 | *t148*t788 | ^ Warning: ‘t148’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:862:34: 862 | - t147*t148*t1114 | ^ Warning: ‘t147’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:911:132: 911 | + t412*t1362 + t412*t1365)) | ^ Warning: ‘t143’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t142’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:763:63: 763 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 | ^ Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t139’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:630:25: 630 | t374 = t135*t136 | ^ Warning: ‘t135’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t130’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: 885 | *t71*t678)/0.2e1_dp) | ^ Warning: ‘t127’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:885:132: 885 | *t71*t678)/0.2e1_dp) | ^ Warning: ‘t123’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: Warning: ‘t121’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:819:25: 819 | t1055 = t411*t12 | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:617:30: 617 | t355 = t119*t120*t122 | ^ Warning: ‘t119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:787:24: 787 | t875 = t97*t118 | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: 948 | *t1365)) | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:948:132: Warning: ‘t114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:602:30: 602 | t326 = t110/t111/t323 | ^ Warning: ‘t111’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:665:24: 665 | t426 = t425*t11 | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:849:76: 849 | + (t412)*t414*t416*(t287)) | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:653:22: 653 | t411 = t3*t10 | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:558:24: 558 | t240 = t1*ndrho | ^ Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5635:90: 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho | ^ Warning: ‘dqrho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4531:76: 4531 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: ‘dqrho’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5671:94: 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) | ^ Warning: ‘dqndrho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4531:69: 4531 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: ‘dqndrho’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5146:97: 5146 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t283*t545 - t80*(t1319 + t1443)*Clda)*sx | ^ Warning: ‘t545’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: 5176 | *t421*t422*t1533 | ^ Warning: ‘t540’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: Warning: ‘t539’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5195:132: 5195 | *t155*t44*t772) | ^ Warning: ‘t533’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5195:132: Warning: ‘t530’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t526’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5170:58: 5170 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) | ^ Warning: ‘t522’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5170:58: Warning: ‘t519’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5170:58: Warning: ‘t513’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5170:58: Warning: ‘t510’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5145:31: 5145 | *t155*t44*t726 | ^ Warning: ‘t505’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5182:80: 5182 | *t367*t405*t1552) | ^ Warning: ‘t501’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5102:26: 5102 | t1288 = t864*t500 | ^ Warning: ‘t500’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5182:80: 5182 | *t367*t405*t1552) | ^ Warning: ‘t498’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5189:67: 5189 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) | ^ Warning: ‘t487’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5076:26: 5076 | t1181 = t931*t486 | ^ Warning: ‘t486’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5189:67: 5189 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) | ^ Warning: ‘t484’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: 5176 | *t421*t422*t1533 | ^ Warning: ‘t478’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5120:26: 5120 | t1351 = t476*t420 | ^ Warning: ‘t476’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5121:26: 5121 | t1382 = t136*t475 | ^ Warning: ‘t475’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5151:90: 5151 | *t19 + 12._dp*g3*t1*t24*t32) | ^ Warning: ‘t473’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: 5073 | - (16._dp*t469*t203)) | ^ Warning: ‘t472’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: Warning: ‘t469’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: Warning: ‘t468’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: Warning: ‘t465’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: Warning: ‘t464’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: 5176 | *t421*t422*t1533 | ^ Warning: ‘t459’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: Warning: ‘t457’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5129:26: 5129 | t1413 = t140*t456 | ^ Warning: ‘t456’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5154:111: 5154 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) | ^ Warning: ‘t454’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5096:132: 5096 | - t450*t239 + 2._dp*t85*t706 - t85*t723) | ^ Warning: ‘t453’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5096:132: Warning: ‘t450’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5068:64: 5068 | - t80*(t1074 + t1118)*Clda)*sx | ^ Warning: ‘t444’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5145:31: 5145 | *t155*t44*t726 | ^ Warning: ‘t439’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: 5176 | *t421*t422*t1533 | ^ Warning: ‘t438’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5042:27: 5042 | t1049 = t437*t1048 | ^ Warning: ‘t437’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: 5176 | *t421*t422*t1533 | ^ Warning: ‘t435’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: Warning: ‘t434’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5039:30: 5039 | t1040 = t75/t433/t160 | ^ Warning: ‘t433’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t428’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: Warning: ‘t427’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5066:101: 5066 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) | ^ Warning: ‘t426’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5145:31: 5145 | *t155*t44*t726 | ^ Warning: ‘t423’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5145:31: Warning: ‘t422’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5066:101: 5066 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) | ^ Warning: ‘t421’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5170:58: 5170 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) | ^ Warning: ‘t420’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t417’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5055:107: 5055 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) | ^ Warning: ‘t415’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t412’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5066:101: 5066 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) | ^ Warning: ‘t410’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5034:24: 5034 | *(t872) | ^ Warning: ‘t406’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5182:80: 5182 | *t367*t405*t1552) | ^ Warning: ‘t405’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5135:58: 5135 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) | ^ Warning: ‘t402’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5034:24: 5034 | *(t872) | ^ Warning: ‘t401’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5034:24: Warning: ‘t400’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5034:24: Warning: ‘t394’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5189:67: 5189 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) | ^ Warning: ‘t393’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5128:65: 5128 | *t1270 + 0.5e1_dp/0.2e1_dp*(t388)*(t393)*(t1198) | ^ Warning: ‘t390’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t389’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5034:24: 5034 | *(t872) | ^ Warning: ‘t388’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5145:31: 5145 | *t155*t44*t726 | ^ Warning: ‘t382’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5066:101: 5066 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) | ^ Warning: ‘t379’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5092:61: 5092 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 | ^ Warning: ‘t375’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4992:25: 4992 | t865 = t864*t374 | ^ Warning: ‘t374’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5092:61: 5092 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 | ^ Warning: ‘t373’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5170:58: 5170 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) | ^ Warning: ‘t372’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5109:35: 5109 | *t487 + t1205*t342 | ^ Warning: ‘t369’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4989:116: 4989 | *t807) | ^ Warning: ‘t368’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5092:61: 5092 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 | ^ Warning: ‘t367’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4989:116: 4989 | *t807) | ^ Warning: ‘t360’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5109:35: 5109 | *t487 + t1205*t342 | ^ Warning: ‘t359’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4989:116: 4989 | *t807) | ^ Warning: ‘t355’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5092:61: 5092 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 | ^ Warning: ‘t352’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5145:31: 5145 | *t155*t44*t726 | ^ Warning: ‘t351’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t350’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5092:61: 5092 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 | ^ Warning: ‘t346’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5100:32: 5100 | t1270 = t345*t127*t1189 | ^ Warning: ‘t345’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5109:35: 5109 | *t487 + t1205*t342 | ^ Warning: ‘t342’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5016:23: 5016 | *(t939) | ^ Warning: ‘t341’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5189:67: 5189 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) | ^ Warning: ‘t340’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t334’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5075:26: 5075 | t1174 = t476*t333 | ^ Warning: ‘t333’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4962:33: 4962 | t782 = 0.1e1_dp/t332/t82 | ^ Warning: ‘t332’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5145:31: 5145 | *t155*t44*t726 | ^ Warning: ‘t330’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5017:25: 5017 | t956 = t136*t329 | ^ Warning: ‘t329’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: 5073 | - (16._dp*t469*t203)) | ^ Warning: ‘t327’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5003:132: 5003 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) | ^ Warning: ‘t326’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5003:132: Warning: ‘t321’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5003:132: Warning: ‘t316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: 5073 | - (16._dp*t469*t203)) | ^ Warning: ‘t313’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: Warning: ‘t310’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5003:132: 5003 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) | ^ Warning: ‘t309’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t306’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5066:101: 5066 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) | ^ Warning: ‘t305’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t303’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5021:25: 5021 | t985 = t140*t302 | ^ Warning: ‘t302’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5096:132: 5096 | - t450*t239 + 2._dp*t85*t706 - t85*t723) | ^ Warning: ‘t300’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4982:132: 4982 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) | ^ Warning: ‘t299’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5096:132: 5096 | - t450*t239 + 2._dp*t85*t706 - t85*t723) | ^ Warning: ‘t296’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5096:132: Warning: ‘t293’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5096:132: Warning: ‘t290’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4982:132: 4982 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) | ^ Warning: ‘t289’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5145:31: 5145 | *t155*t44*t726 | ^ Warning: ‘t286’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5146:97: 5146 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t283*t545 - t80*(t1319 + t1443)*Clda)*sx | ^ Warning: ‘t283’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5092:61: 5092 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 | ^ Warning: ‘t281’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4959:42: 4959 | t171*t752 - t210*t171*t769 | ^ Warning: ‘t279’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5154:111: 5154 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) | ^ Warning: ‘t278’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4949:42: 4949 | t171*t706 - t210*t171*t723 | ^ Warning: ‘t277’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4943:132: 4943 | t229) - (48._dp*t274*t235)) | ^ Warning: ‘t274’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4943:132: Warning: ‘t270’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4943:132: Warning: ‘t269’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4943:132: Warning: ‘t266’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4943:132: Warning: ‘t265’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4959:42: 4959 | t171*t752 - t210*t171*t769 | ^ Warning: ‘t263’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4949:42: 4949 | t171*t706 - t210*t171*t723 | ^ Warning: ‘t262’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4936:24: 4936 | t667 = t14*t261 | ^ Warning: ‘t261’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4938:72: 4938 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) | ^ Warning: ‘t258’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4938:72: Warning: ‘t257’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4956:46: 4956 | + 30._dp*a5*t21*t54*t65) | ^ Warning: ‘t256’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4938:72: 4938 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) | ^ Warning: ‘t253’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4938:72: Warning: ‘t252’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4949:42: 4949 | t171*t706 - t210*t171*t723 | ^ Warning: ‘t249’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4939:24: 4939 | t700 = t248*t18 | ^ Warning: ‘t248’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5145:31: 5145 | *t155*t44*t726 | ^ Warning: ‘t246’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4949:42: 4949 | t171*t706 - t210*t171*t723 | ^ Warning: ‘t240’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5096:132: 5096 | - t450*t239 + 2._dp*t85*t706 - t85*t723) | ^ Warning: ‘t239’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4940:30: 4940 | t706 = t618*t238*t277 | ^ Warning: ‘t238’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4943:132: 4943 | t229) - (48._dp*t274*t235)) | ^ Warning: ‘t235’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4943:132: Warning: ‘t229’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: 4930 | /t12*t63)) | ^ Warning: ‘t227’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4943:132: 4943 | t229) - (48._dp*t274*t235)) | ^ Warning: ‘t223’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: 4930 | /t12*t63)) | ^ Warning: ‘t222’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: Warning: ‘t221’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4943:132: 4943 | t229) - (48._dp*t274*t235)) | ^ Warning: ‘t220’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t219’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: 4930 | /t12*t63)) | ^ Warning: ‘t213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4956:46: 4956 | + 30._dp*a5*t21*t54*t65) | ^ Warning: ‘t212’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4921:33: 4921 | t618 = 0.1e1_dp/t211/t67 | ^ Warning: ‘t211’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4931:30: 4931 | t657 = t210*t171*t655 | ^ Warning: ‘t210’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4949:42: 4949 | t171*t706 - t210*t171*t723 | ^ Warning: ‘t208’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4904:35: 4904 | t575 = 4._dp*t11*t179*t207 | ^ Warning: ‘t207’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4897:24: 4897 | t558 = t14*t206 | ^ Warning: ‘t206’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: 5073 | - (16._dp*t469*t203)) | ^ Warning: ‘t203’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: Warning: ‘t199’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4913:25: 4913 | t599 = t198*t192 | ^ Warning: ‘t198’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4918:64: 4918 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) | ^ Warning: ‘t197’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: 5073 | - (16._dp*t469*t203)) | ^ Warning: ‘t196’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5055:107: 5055 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) | ^ Warning: ‘t195’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: 5073 | - (16._dp*t469*t203)) | ^ Warning: ‘t189’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4905:23: 4905 | t576 = t4*t188 | ^ Warning: ‘t188’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: 5073 | - (16._dp*t469*t203)) | ^ Warning: ‘t185’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4918:64: 4918 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) | ^ Warning: ‘t184’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: 5073 | - (16._dp*t469*t203)) | ^ Warning: ‘t183’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4949:42: 4949 | t171*t706 - t210*t171*t723 | ^ Warning: ‘t180’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4982:132: 4982 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) | ^ Warning: ‘t179’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5066:101: 5066 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) | ^ Warning: ‘t178’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4911:34: 4911 | t594 = t56*r3*t58*t5*t177 | ^ Warning: ‘t177’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4949:42: 4949 | t171*t706 - t210*t171*t723 | ^ Warning: ‘t174’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4949:42: Warning: ‘t173’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4924:36: 4924 | t623 = 2._dp*t210*t171*t620 | ^ Warning: ‘t171’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4949:42: 4949 | t171*t706 - t210*t171*t723 | ^ Warning: ‘t170’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4935:25: 4935 | t664 = t248*t169 | ^ Warning: ‘t169’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5003:132: 5003 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) | ^ Warning: ‘t99’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5003:132: Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5003:132: Warning: ‘t96’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5135:58: 5135 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: 5176 | *t421*t422*t1533 | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5170:58: 5170 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4784:22: 4784 | t332 = t92**2 | ^ Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5066:101: 5066 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5023:29: 5023 | t995 = t140*t90*t108 | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4925:32: 4925 | t632 = 0.1e1_dp/t9/t594 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5154:111: 5154 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4982:132: 4982 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5154:111: 5154 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5109:35: 5109 | *t487 + t1205*t342 | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5189:67: 5189 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) | ^ Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4962:33: 4962 | t782 = 0.1e1_dp/t332/t82 | ^ Warning: ‘t82’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5196:71: 5196 | e_ndrho_ndrho = e_ndrho_ndrho + (-t80*(t1576 + t1672)*Clda)*sx | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4912:27: 4912 | t597 = t24/t8/t594 | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4961:22: 4961 | t774 = t78**2 | ^ Warning: ‘t78’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5040:23: 5040 | t1047 = t75**2 | ^ Warning: ‘t75’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4933:67: 4933 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t73*t219*t56*t58 | ^ Warning: ‘t73’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4978:64: 4978 | + t623 - t657 + 0.10e2_dp/0.9e1_dp*t72*t219*t192 | ^ Warning: ‘t72’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4757:53: 4757 | t281 = 2._dp*t249*t70 + t11*t263 - t210*t279 | ^ Warning: ‘t70’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4903:34: 4903 | t572 = 6._dp*t11*t569*t69 | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5154:111: 5154 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4720:22: 4720 | t211 = t67**2 | ^ Warning: ‘t67’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4956:46: 4956 | + 30._dp*a5*t21*t54*t65) | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: 4930 | /t12*t63)) | ^ Warning: ‘t63’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4730:31: 4730 | t235 = t60/t61/rho*t63 | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: 4930 | /t12*t63)) | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4956:46: 4956 | + 30._dp*a5*t21*t54*t65) | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: 4930 | /t12*t63)) | ^ Warning: ‘t48’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4914:26: 4914 | t603 = t46*t31*t6 | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5055:107: 5055 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: 4930 | /t12*t63)) | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4905:23: 4905 | t576 = t4*t188 | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: 4930 | /t12*t63)) | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4753:26: 4753 | t274 = a5*t38*t54 | ^ Warning: ‘t38’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: 4930 | /t12*t63)) | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4900:24: 4900 | t564 = t34*t212 | ^ Warning: ‘t34’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5151:90: 5151 | *t19 + 12._dp*g3*t1*t24*t32) | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4915:28: 4915 | t607 = t27*t227*t31 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4902:23: 4902 | t569 = t29*t14 | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4930:66: 4930 | /t12*t63)) | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4915:28: 4915 | t607 = t27*t227*t31 | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4918:64: 4918 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4918:64: Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4956:46: 4956 | + 30._dp*a5*t21*t54*t65) | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4857:47: 4857 | t472 = 2._dp*t465*t19 + 4._dp*t469*t32 | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4939:24: 4939 | t700 = t248*t18 | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4918:64: 4918 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5068:64: 5068 | - t80*(t1074 + t1118)*Clda)*sx | ^ Warning: ‘t167’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: 5176 | *t421*t422*t1533 | ^ Warning: ‘t161’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: Warning: ‘t160’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4918:64: 4918 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5195:132: 5195 | *t155*t44*t772) | ^ Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5055:107: 5055 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5066:101: 5066 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) | ^ Warning: ‘t154’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: 5176 | *t421*t422*t1533 | ^ Warning: ‘t151’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5003:132: 5003 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) | ^ Warning: ‘t15’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5066:101: 5066 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) | ^ Warning: ‘t146’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5176:33: 5176 | *t421*t422*t1533 | ^ Warning: ‘t145’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4990:25: 4990 | t863 = t125*t141 | ^ Warning: ‘t141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5073:117: 5073 | - (16._dp*t469*t203)) | ^ Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5122:26: 5122 | t1397 = t136*t137 | ^ Warning: ‘t137’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5195:132: 5195 | *t155*t44*t772) | ^ Warning: ‘t134’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5055:107: 5055 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4959:42: 4959 | t171*t752 - t210*t171*t769 | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5182:80: 5182 | *t367*t405*t1552) | ^ Warning: ‘t129’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4995:39: 4995 | t878 = 0.1e1_dp/t128/t115/t114 | ^ Warning: ‘t128’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t127’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5098:26: 5098 | t1264 = t125*t126 | ^ Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5092:61: 5092 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 | ^ Warning: ‘t122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4975:34: 4975 | t811 = 0.1e1_dp/t121/t114 | ^ Warning: ‘t121’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4696:23: 4696 | t177 = t12*rho | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5145:31: 5145 | *t155*t44*t726 | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4966:39: 4966 | t792 = 0.1e1_dp/t117/t789/t114 | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4790:34: 4790 | t345 = 0.1e1_dp/t117/t116 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5117:108: 5117 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 | ^ Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5079:32: 5079 | t1190 = t372*t114*t1189 | ^ Warning: ‘t114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5101:32: 5101 | t1277 = t372*t113*t1189 | ^ Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5082:26: 5082 | t1208 = t110*t111 | ^ Warning: ‘t111’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4982:132: 4982 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5170:58: 5170 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5066:101: 5066 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5019:30: 5019 | t966 = t136*t105*t108 | ^ Warning: ‘t105’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5151:90: 5151 | *t19 + 12._dp*g3*t1*t24*t32) | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5003:132: 5003 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5003:132: Warning: ‘t100’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4740:24: 4740 | t249 = t248*t10 | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4743:24: 4743 | t256 = t1*ndrho | ^ Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5635:90: 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho | ^ Warning: ‘dqrho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3649:76: 3649 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & | ^ note: ‘dqrho’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:5671:94: 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) | ^ Warning: ‘dqndrho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3649:69: 3649 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & | ^ note: ‘dqndrho’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4430:97: 4430 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t322*t696 - t80*(t1652 + t1860)*Clda)*sx | ^ Warning: ‘t696’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: 4494 | t549*t199 - t690*t1401*t1620 + t691*t320) | ^ Warning: ‘t691’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: Warning: ‘t690’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4461:36: 4461 | - (4._dp*t568*t570) | ^ Warning: ‘t684’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4461:36: Warning: ‘t681’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t677’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4474:58: 4474 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) | ^ Warning: ‘t673’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4474:58: Warning: ‘t670’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4474:58: Warning: ‘t664’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4474:58: Warning: ‘t661’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t656’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4487:68: 4487 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) | ^ Warning: ‘t652’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4377:27: 4377 | t1675 = t1241*t651 | ^ Warning: ‘t651’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4487:68: 4487 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) | ^ Warning: ‘t649’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4481:25: 4481 | *(t1886) | ^ Warning: ‘t638’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4383:27: 4383 | t1695 = t1203*t637 | ^ Warning: ‘t637’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4487:68: 4487 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) | ^ Warning: ‘t635’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: 4494 | t549*t199 - t690*t1401*t1620 + t691*t320) | ^ Warning: ‘t629’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4366:26: 4366 | t1645 = t627*t531 | ^ Warning: ‘t627’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4405:26: 4405 | t1781 = t176*t626 | ^ Warning: ‘t626’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t623’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4357:26: 4357 | t1583 = t621*t142 | ^ Warning: ‘t621’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t617’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: Warning: ‘t616’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: Warning: ‘t612’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: 4356 | t419*t77*t871)/0.2e1_dp) | ^ Warning: ‘t611’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: Warning: ‘t610’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t608’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4341:47: 4341 | + t1079*t210*t1080*t316) | ^ Warning: ‘t607’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: 4356 | t419*t77*t871)/0.2e1_dp) | ^ Warning: ‘t604’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: Warning: ‘t599’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: 4338 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) | ^ Warning: ‘t596’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t595’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: Warning: ‘t593’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: 4338 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) | ^ Warning: ‘t592’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: Warning: ‘t590’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4330:26: 4330 | t1480 = t589*t373 | ^ Warning: ‘t589’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t586’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: Warning: ‘t584’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4461:36: 4461 | - (4._dp*t568*t570) | ^ Warning: ‘t570’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4461:36: Warning: ‘t568’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t567’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4432:111: 4432 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) | ^ Warning: ‘t565’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4328:132: 4328 | - t561*t278 + 2._dp*t85*t855 - t85*t872) | ^ Warning: ‘t564’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4328:132: Warning: ‘t561’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4324:64: 4324 | - t80*(t1189 + t1408)*Clda)*sx | ^ Warning: ‘t555’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t550’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: 4494 | t549*t199 - t690*t1401*t1620 + t691*t320) | ^ Warning: ‘t549’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4312:27: 4312 | t1402 = t548*t1401 | ^ Warning: ‘t548’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: 4494 | t549*t199 - t690*t1401*t1620 + t691*t320) | ^ Warning: ‘t546’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: Warning: ‘t545’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4309:30: 4309 | t1393 = t75/t544/t199 | ^ Warning: ‘t544’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4248:21: 4248 | *t58 | ^ Warning: ‘t539’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4429:71: 4429 | *t461*t320) - (2._dp*t91*t344*t875) | ^ Warning: ‘t538’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4322:110: 4322 | *t199*t285 + t550*t285)) | ^ Warning: ‘t537’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t534’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: Warning: ‘t533’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4461:36: 4461 | - (4._dp*t568*t570) | ^ Warning: ‘t532’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4474:58: 4474 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) | ^ Warning: ‘t531’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t528’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4322:110: 4322 | *t199*t285 + t550*t285)) | ^ Warning: ‘t526’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t523’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4322:110: 4322 | *t199*t285 + t550*t285)) | ^ Warning: ‘t521’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4278:38: 4278 | (t511)*(t516)*(t1260) | ^ Warning: ‘t517’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4487:68: 4487 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) | ^ Warning: ‘t516’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4419:65: 4419 | *t1739 + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t1712) | ^ Warning: ‘t513’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4295:78: 4295 | t478*t512*t969) | ^ Warning: ‘t512’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4278:38: 4278 | (t511)*(t516)*(t1260) | ^ Warning: ‘t511’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4278:38: Warning: ‘t505’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4481:25: 4481 | *(t1886) | ^ Warning: ‘t504’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4412:70: 4412 | t1796*t1762 + 0.5e1_dp/0.2e1_dp*(t499)*(t504)*(t1632) | ^ Warning: ‘t501’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4305:31: 4305 | *(t457)*(t933) | ^ Warning: ‘t500’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4278:38: 4278 | (t511)*(t516)*(t1260) | ^ Warning: ‘t499’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t493’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4322:110: 4322 | *t199*t285 + t550*t285)) | ^ Warning: ‘t490’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4404:124: 4404 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) | ^ Warning: ‘t486’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4263:27: 4263 | t1242 = t1241*t485 | ^ Warning: ‘t485’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4391:81: 4391 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) | ^ Warning: ‘t484’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4474:58: 4474 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) | ^ Warning: ‘t483’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4404:124: 4404 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) | ^ Warning: ‘t480’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4487:68: 4487 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) | ^ Warning: ‘t479’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4391:81: 4391 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) | ^ Warning: ‘t478’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4295:78: 4295 | t478*t512*t969) | ^ Warning: ‘t471’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4391:81: 4391 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) | ^ Warning: ‘t470’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4295:78: 4295 | t478*t512*t969) | ^ Warning: ‘t466’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4391:81: 4391 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) | ^ Warning: ‘t463’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4252:27: 4252 | t1204 = t1203*t462 | ^ Warning: ‘t462’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4429:71: 4429 | *t461*t320) - (2._dp*t91*t344*t875) | ^ Warning: ‘t461’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4404:124: 4404 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) | ^ Warning: ‘t457’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4397:32: 4397 | t1762 = t456*t168*t1687 | ^ Warning: ‘t456’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4391:81: 4391 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) | ^ Warning: ‘t453’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4305:31: 4305 | *(t457)*(t933) | ^ Warning: ‘t452’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4481:25: 4481 | *(t1886) | ^ Warning: ‘t451’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4429:71: 4429 | *t461*t320) - (2._dp*t91*t344*t875) | ^ Warning: ‘t445’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4364:26: 4364 | t1627 = t627*t444 | ^ Warning: ‘t444’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t442’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4297:26: 4297 | t1350 = t151*t441 | ^ Warning: ‘t441’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4360:49: 4360 | 0.7e1_dp/0.2e1_dp*t435*t437*t875 | ^ Warning: ‘t438’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4360:49: Warning: ‘t437’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4360:49: Warning: ‘t435’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4216:26: 4216 | t1143 = t433*t142 | ^ Warning: ‘t433’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: 4356 | t419*t77*t871)/0.2e1_dp) | ^ Warning: ‘t429’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: Warning: ‘t428’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: Warning: ‘t424’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t423’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: 4356 | t419*t77*t871)/0.2e1_dp) | ^ Warning: ‘t422’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: Warning: ‘t420’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4164:32: 4164 | - t249*t210*t872 | ^ Warning: ‘t419’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t418’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: Warning: ‘t417’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: Warning: ‘t416’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: Warning: ‘t408’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: Warning: ‘t406’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: Warning: ‘t405’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4210:31: 4210 | t1101 = t125*t404*t129 | ^ Warning: ‘t404’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t403’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4341:47: 4341 | + t1079*t210*t1080*t316) | ^ Warning: ‘t401’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t400’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: Warning: ‘t399’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: Warning: ‘t397’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4205:30: 4205 | t1065 = t96*t115*t391 | ^ Warning: ‘t391’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: 4338 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) | ^ Warning: ‘t388’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: Warning: ‘t384’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4112:23: 4112 | t713 = t4*t381 | ^ Warning: ‘t381’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4203:65: 4203 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 | ^ Warning: ‘t380’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: 4338 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) | ^ Warning: ‘t379’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: Warning: ‘t377’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4203:65: 4203 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 | ^ Warning: ‘t376’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t375’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4203:65: 4203 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 | ^ Warning: ‘t374’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4330:26: 4330 | t1480 = t589*t373 | ^ Warning: ‘t373’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4203:65: 4203 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 | ^ Warning: ‘t370’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: 4338 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) | ^ Warning: ‘t369’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: 4356 | t419*t77*t871)/0.2e1_dp) | ^ Warning: ‘t365’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t364’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4187:24: 4187 | t967 = t361*t82 | ^ Warning: ‘t361’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: 4356 | t419*t77*t871)/0.2e1_dp) | ^ Warning: ‘t359’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: Warning: ‘t352’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4429:71: 4429 | *t461*t320) - (2._dp*t91*t344*t875) | ^ Warning: ‘t345’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4248:21: 4248 | *t58 | ^ Warning: ‘t344’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4429:71: 4429 | *t461*t320) - (2._dp*t91*t344*t875) | ^ Warning: ‘t342’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: 4356 | t419*t77*t871)/0.2e1_dp) | ^ Warning: ‘t341’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4328:132: 4328 | - t561*t278 + 2._dp*t85*t855 - t85*t872) | ^ Warning: ‘t339’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4186:132: 4186 | *t759*t68 - 2._dp*t335*t278 + 2._dp*t85*t769 - t85*t804)) | ^ Warning: ‘t338’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4328:132: 4328 | - t561*t278 + 2._dp*t85*t855 - t85*t872) | ^ Warning: ‘t335’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4328:132: Warning: ‘t332’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4328:132: Warning: ‘t329’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4186:132: 4186 | *t759*t68 - 2._dp*t335*t278 + 2._dp*t85*t769 - t85*t804)) | ^ Warning: ‘t328’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4429:71: 4429 | *t461*t320) - (2._dp*t91*t344*t875) | ^ Warning: ‘t325’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4430:97: 4430 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t322*t696 - t80*(t1652 + t1860)*Clda)*sx | ^ Warning: ‘t322’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4391:81: 4391 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) | ^ Warning: ‘t320’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4177:26: 4177 | *t210*t917 | ^ Warning: ‘t318’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4432:111: 4432 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) | ^ Warning: ‘t317’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4341:47: 4341 | + t1079*t210*t1080*t316) | ^ Warning: ‘t316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: 4157 | (48._dp*t313*t274) | ^ Warning: ‘t313’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: Warning: ‘t309’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: Warning: ‘t308’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: Warning: ‘t305’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: Warning: ‘t304’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4177:26: 4177 | *t210*t917 | ^ Warning: ‘t302’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4164:32: 4164 | - t249*t210*t872 | ^ Warning: ‘t301’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4342:26: 4342 | t1562 = t300*t251 | ^ Warning: ‘t300’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4151:72: 4151 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) | ^ Warning: ‘t297’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4151:72: Warning: ‘t296’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4173:30: 4173 | a5*t21*t54*t65 | ^ Warning: ‘t295’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4151:72: 4151 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) | ^ Warning: ‘t292’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4151:72: Warning: ‘t291’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4164:32: 4164 | - t249*t210*t872 | ^ Warning: ‘t288’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4153:24: 4153 | t849 = t287*t18 | ^ Warning: ‘t287’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t285’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4164:32: 4164 | - t249*t210*t872 | ^ Warning: ‘t279’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4328:132: 4328 | - t561*t278 + 2._dp*t85*t855 - t85*t872) | ^ Warning: ‘t278’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t277’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: 4157 | (48._dp*t313*t274) | ^ Warning: ‘t274’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: Warning: ‘t268’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: 4141 | t63) | ^ Warning: ‘t266’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: 4157 | (48._dp*t313*t274) | ^ Warning: ‘t262’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: 4141 | t63) | ^ Warning: ‘t261’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: Warning: ‘t260’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: 4157 | (48._dp*t313*t274) | ^ Warning: ‘t259’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t258’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: 4141 | t63) | ^ Warning: ‘t252’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4342:26: 4342 | t1562 = t300*t251 | ^ Warning: ‘t251’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4132:33: 4132 | t767 = 0.1e1_dp/t250/t67 | ^ Warning: ‘t250’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4143:30: 4143 | t806 = t249*t210*t804 | ^ Warning: ‘t249’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4164:32: 4164 | - t249*t210*t872 | ^ Warning: ‘t247’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4117:35: 4117 | t724 = 4._dp*t11*t218*t246 | ^ Warning: ‘t246’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4214:26: 4214 | t1121 = t245*t251 | ^ Warning: ‘t245’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: 4157 | (48._dp*t313*t274) | ^ Warning: ‘t242’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: Warning: ‘t238’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4122:25: 4122 | t748 = t237*t231 | ^ Warning: ‘t237’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4128:83: 4128 | *t25*t756) | ^ Warning: ‘t236’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4157:34: 4157 | (48._dp*t313*t274) | ^ Warning: ‘t235’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4248:21: 4248 | *t58 | ^ Warning: ‘t234’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4151:72: 4151 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) | ^ Warning: ‘t228’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: 4338 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) | ^ Warning: ‘t227’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4151:72: 4151 | - 0.16e2_dp/0.3e1_dp*t296*t235*t238 - (16._dp*t297*t242) | ^ Warning: ‘t224’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4128:83: 4128 | *t25*t756) | ^ Warning: ‘t223’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t222’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4164:32: 4164 | - t249*t210*t872 | ^ Warning: ‘t219’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t218’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4322:110: 4322 | *t199*t285 + t550*t285)) | ^ Warning: ‘t217’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4120:34: 4120 | t743 = t56*r3*t58*t5*t216 | ^ Warning: ‘t216’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4164:32: 4164 | - t249*t210*t872 | ^ Warning: ‘t213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4164:32: Warning: ‘t212’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4135:36: 4135 | t772 = 2._dp*t249*t210*t769 | ^ Warning: ‘t210’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4164:32: 4164 | - t249*t210*t872 | ^ Warning: ‘t209’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4147:25: 4147 | t813 = t287*t208 | ^ Warning: ‘t208’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4419:65: 4419 | *t1739 + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t1712) | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: 4494 | t549*t199 - t690*t1401*t1620 + t691*t320) | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4474:58: 4474 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4322:110: 4322 | *t199*t285 + t550*t285)) | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4261:30: 4261 | t1240 = t180*t90*t149 | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4136:32: 4136 | t781 = 0.1e1_dp/t9/t743 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4045:41: 4045 | t567 = 2._dp*t288*t88 + t11*t565 | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4186:132: 4186 | *t759*t68 - 2._dp*t335*t278 + 2._dp*t85*t769 - t85*t804)) | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4432:111: 4432 | t68 - 2._dp*t561*t317 + 2._dp*t85*t900 - t85*t917) | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4391:81: 4391 | + 0.3e1_dp/0.2e1_dp*t478*t484*t1712 - 0.2e1_dp*t478*t512*(t1446) | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4487:68: 4487 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) | ^ Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3927:24: 3927 | t352 = t82*t325 | ^ Warning: ‘t82’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4495:71: 4495 | e_ndrho_ndrho = e_ndrho_ndrho + (-t80*(t2013 + t2174)*Clda)*sx | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4121:27: 4121 | t746 = t24/t8/t743 | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4179:22: 4179 | t922 = t78**2 | ^ Warning: ‘t78’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4310:23: 4310 | t1400 = t75**2 | ^ Warning: ‘t75’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4145:67: 4145 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t73*t258*t56*t58 | ^ Warning: ‘t73’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4181:64: 4181 | + t772 - t806 + 0.10e2_dp/0.9e1_dp*t72*t258*t231 | ^ Warning: ‘t72’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3912:53: 3912 | t320 = 2._dp*t288*t70 + t11*t302 - t249*t318 | ^ Warning: ‘t70’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4116:34: 4116 | t721 = 6._dp*t11*t718*t69 | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4055:25: 4055 | t595 = t68*ndrho | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3875:22: 3875 | t250 = t67**2 | ^ Warning: ‘t67’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4173:30: 4173 | a5*t21*t54*t65 | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: 4141 | t63) | ^ Warning: ‘t63’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3885:31: 3885 | t274 = t60/t61/rho*t63 | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: 4141 | t63) | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4173:30: 4173 | a5*t21*t54*t65 | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: 4141 | t63) | ^ Warning: ‘t48’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4123:26: 4123 | t752 = t46*t31*t6 | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4322:110: 4322 | *t199*t285 + t550*t285)) | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: 4141 | t63) | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4197:33: 4197 | t1032 = t116*t251*t4*t44 | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: 4141 | t63) | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3908:26: 3908 | t313 = a5*t38*t54 | ^ Warning: ‘t38’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: 4141 | t63) | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4215:25: 4215 | t1124 = t34*t767 | ^ Warning: ‘t34’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4173:30: 4173 | a5*t21*t54*t65 | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4124:28: 4124 | t756 = t27*t266*t31 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4128:83: 4128 | *t25*t756) | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4141:44: 4141 | t63) | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4124:28: 4124 | t756 = t27*t266*t31 | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4128:83: 4128 | *t25*t756) | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4128:83: Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4173:30: 4173 | a5*t21*t54*t65 | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4324:64: 4324 | - t80*(t1189 + t1408)*Clda)*sx | ^ Warning: ‘t206’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: 4494 | t549*t199 - t690*t1401*t1620 + t691*t320) | ^ Warning: ‘t200’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: Warning: ‘t199’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4461:36: 4461 | - (4._dp*t568*t570) | ^ Warning: ‘t195’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4322:110: 4322 | *t199*t285 + t550*t285)) | ^ Warning: ‘t194’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4322:110: Warning: ‘t193’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: 4494 | t549*t199 - t690*t1401*t1620 + t691*t320) | ^ Warning: ‘t190’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: 4338 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4322:110: 4322 | *t199*t285 + t550*t285)) | ^ Warning: ‘t186’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: 4494 | t549*t199 - t690*t1401*t1620 + t691*t320) | ^ Warning: ‘t185’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4289:26: 4289 | t1331 = t166*t181 | ^ Warning: ‘t181’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4406:26: 4406 | t1796 = t176*t177 | ^ Warning: ‘t177’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4248:21: 4248 | *t58 | ^ Warning: ‘t174’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4487:68: 4487 | *(t1989) - t151*t1979*t83*t159 + (2._dp*t1678*t635) | ^ Warning: ‘t170’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4128:83: 4128 | *t25*t756) | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4264:40: 4264 | t1250 = 0.1e1_dp/t169/t156/t155 | ^ Warning: ‘t169’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4429:71: 4429 | *t461*t320) - (2._dp*t91*t344*t875) | ^ Warning: ‘t168’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4393:26: 4393 | t1737 = t166*t167 | ^ Warning: ‘t167’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4404:124: 4404 | *t471*t875)/0.2e1_dp + (10._dp*t1685*t1762) | ^ Warning: ‘t163’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4286:35: 4286 | t1315 = 0.1e1_dp/t162/t155 | ^ Warning: ‘t162’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4128:83: 4128 | *t25*t756) | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4376:22: 4376 | *t320 | ^ Warning: ‘t159’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4254:41: 4254 | t1213 = 0.1e1_dp/t158/t1210/t155 | ^ Warning: ‘t158’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3985:34: 3985 | t456 = 0.1e1_dp/t158/t157 | ^ Warning: ‘t157’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4396:32: 4396 | t1753 = t456*t156*t1687 | ^ Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4382:32: 4382 | t1692 = t483*t155*t1687 | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4394:32: 4394 | t1739 = t483*t154*t1687 | ^ Warning: ‘t154’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4379:26: 4379 | t1685 = t151*t152 | ^ Warning: ‘t152’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t15’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4474:58: 4474 | + 0.3e1_dp/0.2e1_dp*(t511)*(t516)*(t2064) | ^ Warning: ‘t149’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4281:26: 4281 | t1295 = t148*t968 | ^ Warning: ‘t148’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4250:31: 4250 | t1202 = t176*t147*t149 | ^ Warning: ‘t147’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t145’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3974:25: 3974 | t435 = t141*t142 | ^ Warning: ‘t141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4328:132: 4328 | - t561*t278 + 2._dp*t85*t855 - t85*t872) | ^ Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t136’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: 4356 | t419*t77*t871)/0.2e1_dp) | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: Warning: ‘t132’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t131’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4356:132: 4356 | t419*t77*t871)/0.2e1_dp) | ^ Warning: ‘t129’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4494:106: 4494 | t549*t199 - t690*t1401*t1620 + t691*t320) | ^ Warning: ‘t128’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t127’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3961:30: 3961 | t416 = t125*t126*t128 | ^ Warning: ‘t125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4206:25: 4206 | t1068 = t96*t124 | ^ Warning: ‘t124’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t123’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: Warning: ‘t121’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4338:116: 4338 | *t388) + (2._dp*t374*t227*t592) - (4._dp*t596*t388) | ^ Warning: ‘t120’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3851:23: 3851 | t216 = t12*rho | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4341:47: 4341 | + t1079*t210*t1080*t316) | ^ Warning: ‘t119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4203:65: 4203 | t380*t705*t14*t383 + 0.6e1_dp*t118*t119*t718*t77 | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: 4450 | - 0.7e1_dp/0.2e1_dp*(t435)*(t437)*(t920) | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4450:57: Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3931:30: 3931 | t364 = t109/t110/t361 | ^ Warning: ‘t110’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4186:132: 4186 | *t759*t68 - 2._dp*t335*t278 + 2._dp*t85*t769 - t85*t804)) | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4234:38: 4234 | *(t435)*(t437)*(t976) | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:4128:83: 4128 | *t25*t756) | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3898:24: 3898 | t295 = t1*ndrho | ^ Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3535:89: 3535 | t2274)*Clda)*sx | ^ Warning: ‘t920’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t917’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: Warning: ‘t903’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3476:44: 3476 | - t852*t519 + f12*t2053*t94 | ^ Warning: ‘t886’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3453:132: 3453 | *t407) | ^ Warning: ‘t875’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: 3533 | - (5._dp*t1726*t506*t6*t407) | ^ Warning: ‘t860’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3476:44: 3476 | - t852*t519 + f12*t2053*t94 | ^ Warning: ‘t852’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t839’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: Warning: ‘t833’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t823’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: Warning: ‘t822’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: 3559 | *t1139 - t243*t2336)*alpha6*t247*t249 | ^ Warning: ‘t816’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: Warning: ‘t813’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3476:44: 3476 | - t852*t519 + f12*t2053*t94 | ^ Warning: ‘t809’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3583:92: 3583 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515) | ^ Warning: ‘t805’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3583:92: Warning: ‘t802’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3583:92: Warning: ‘t796’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3583:92: Warning: ‘t793’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: 3533 | - (5._dp*t1726*t506*t6*t407) | ^ Warning: ‘t788’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3595:43: 3595 | /0.4e1_dp*t603*t1469*t2473 | ^ Warning: ‘t784’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3498:27: 3498 | t2136 = t1332*t783 | ^ Warning: ‘t783’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3595:43: 3595 | /0.4e1_dp*t603*t1469*t2473 | ^ Warning: ‘t781’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3589:104: 3589 | *t81*t1430*t2279) - (t81*t93*t595*t2279) | ^ Warning: ‘t770’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3478:27: 3478 | t2066 = t1262*t769 | ^ Warning: ‘t769’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3589:104: 3589 | *t81*t1430*t2279) - (t81*t93*t595*t2279) | ^ Warning: ‘t767’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: 3559 | *t1139 - t243*t2336)*alpha6*t247*t249 | ^ Warning: ‘t761’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3477:26: 3477 | t2060 = t759*t513 | ^ Warning: ‘t759’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3507:26: 3507 | t2180 = t136*t758 | ^ Warning: ‘t758’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3567:93: 3567 | t3*t19 + 12._dp*g3*t1*t24*t32) | ^ Warning: ‘t756’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: 3459 | - (16._dp*t752*t331)) | ^ Warning: ‘t755’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: Warning: ‘t752’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: Warning: ‘t751’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: Warning: ‘t748’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: Warning: ‘t747’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: 3559 | *t1139 - t243*t2336)*alpha6*t247*t249 | ^ Warning: ‘t742’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: Warning: ‘t740’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3515:26: 3515 | t2211 = t140*t739 | ^ Warning: ‘t739’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3544:115: 3544 | *t68 - 2._dp*t733*t404 + 2._dp*t85*t1119 - t85*t1136) | ^ Warning: ‘t737’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3471:93: 3471 | t404 - t733*t365 + 2._dp*t85*t1073 - t85*t1090) | ^ Warning: ‘t736’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3471:93: Warning: ‘t733’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3411:85: 3411 | t727 - t80*(t1392 + t1517 + t1577 + t1742)*Clda)*sx | ^ Warning: ‘t727’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: 3364 | *t58 | ^ Warning: ‘t723’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t714’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t710’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3385:26: 3385 | t1671 = t709*t160 | ^ Warning: ‘t709’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: 3364 | *t58 | ^ Warning: ‘t705’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3314:59: 3314 | + 0.70e2_dp/0.9e1_dp*t695/t8/t1385*t56*t58 | ^ Warning: ‘t702’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t699’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3314:59: 3314 | + 0.70e2_dp/0.9e1_dp*t695/t8/t1385*t56*t58 | ^ Warning: ‘t697’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3314:59: Warning: ‘t695’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3476:44: 3476 | - t852*t519 + f12*t2053*t94 | ^ Warning: ‘t692’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t689’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t687’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: 3364 | *t58 | ^ Warning: ‘t681’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: Warning: ‘t679’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3314:59: 3314 | + 0.70e2_dp/0.9e1_dp*t695/t8/t1385*t56*t58 | ^ Warning: ‘t671’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3247:26: 3247 | t1186 = t670*t186 | ^ Warning: ‘t670’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t665’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: Warning: ‘t660’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t659’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3583:92: 3583 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515) | ^ Warning: ‘t658’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t656’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3453:132: 3453 | *t407) | ^ Warning: ‘t652’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3348:34: 3348 | (4._dp*t510*t552) | ^ Warning: ‘t650’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t644’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3348:34: 3348 | (4._dp*t510*t552) | ^ Warning: ‘t641’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t638’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3453:132: 3453 | *t407) | ^ Warning: ‘t635’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: 3533 | - (5._dp*t1726*t506*t6*t407) | ^ Warning: ‘t634’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t633’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3453:132: 3453 | *t407) | ^ Warning: ‘t629’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3351:26: 3351 | t1545 = t628*t238 | ^ Warning: ‘t628’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t626’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3453:132: 3453 | *t407) | ^ Warning: ‘t622’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: 3364 | *t58 | ^ Warning: ‘t620’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3453:132: 3453 | *t407) | ^ Warning: ‘t615’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: 3364 | *t58 | ^ Warning: ‘t612’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3496:32: 3496 | *(t607)*(t2111) | ^ Warning: ‘t608’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3595:43: 3595 | /0.4e1_dp*t603*t1469*t2473 | ^ Warning: ‘t607’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3496:32: 3496 | *(t607)*(t2111) | ^ Warning: ‘t605’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3339:60: 3339 | *t1333) | ^ Warning: ‘t604’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3595:43: 3595 | /0.4e1_dp*t603*t1469*t2473 | ^ Warning: ‘t603’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3339:60: 3339 | *t1333) | ^ Warning: ‘t596’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3506:55: 3506 | *t585 - 0.27e2_dp/0.4e1_dp*t2069*t2155 | ^ Warning: ‘t595’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3339:60: 3339 | *t1333) | ^ Warning: ‘t591’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3506:55: 3506 | *t585 - 0.27e2_dp/0.4e1_dp*t2069*t2155 | ^ Warning: ‘t588’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3327:85: 3327 | *t1430*t1151) - t1434*t1435*t452 | ^ Warning: ‘t587’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3506:55: 3506 | *t585 - 0.27e2_dp/0.4e1_dp*t2069*t2155 | ^ Warning: ‘t585’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3327:85: 3327 | *t1430*t1151) - t1434*t1435*t452 | ^ Warning: ‘t584’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3589:104: 3589 | *t81*t1430*t2279) - (t81*t93*t595*t2279) | ^ Warning: ‘t583’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3348:34: 3348 | (4._dp*t510*t552) | ^ Warning: ‘t577’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3413:26: 3413 | t1768 = t569*t407 | ^ Warning: ‘t569’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t566’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: Warning: ‘t565’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: Warning: ‘t561’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3390:26: 3390 | t1732 = t558*t513 | ^ Warning: ‘t558’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t552’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3314:59: 3314 | + 0.70e2_dp/0.9e1_dp*t695/t8/t1385*t56*t58 | ^ Warning: ‘t551’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3348:34: 3348 | (4._dp*t510*t552) | ^ Warning: ‘t549’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3538:27: 3538 | t2283 = t541*t1139 | ^ Warning: ‘t541’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3381:69: 3381 | - 0.3e1_dp/0.4e1_dp*t243*t1159 + t243*t1162/0.2e1_dp | ^ Warning: ‘t536’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3467:44: 3467 | t1785 + t243*t1788/0.2e1_dp | ^ Warning: ‘t535’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3417:26: 3417 | t1791 = t531*t407 | ^ Warning: ‘t531’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3381:69: 3381 | - 0.3e1_dp/0.4e1_dp*t243*t1159 + t243*t1162/0.2e1_dp | ^ Warning: ‘t530’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3381:69: Warning: ‘t524’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3387:30: 3387 | t1691 = 0.1e1_dp/t523 | ^ Warning: ‘t523’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3371:26: 3371 | t1619 = t522*t220 | ^ Warning: ‘t522’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3476:44: 3476 | - t852*t519 + f12*t2053*t94 | ^ Warning: ‘t519’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: 3533 | - (5._dp*t1726*t506*t6*t407) | ^ Warning: ‘t516’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t514’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3477:26: 3477 | t2060 = t759*t513 | ^ Warning: ‘t513’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3235:34: 3235 | t1149 = 0.1e1_dp/t512/t82 | ^ Warning: ‘t512’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3453:132: 3453 | *t407) | ^ Warning: ‘t510’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: 3533 | - (5._dp*t1726*t506*t6*t407) | ^ Warning: ‘t507’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: Warning: ‘t506’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3348:34: 3348 | (4._dp*t510*t552) | ^ Warning: ‘t505’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: 3364 | *t58 | ^ Warning: ‘t503’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: Warning: ‘t496’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: 3533 | - (5._dp*t1726*t506*t6*t407) | ^ Warning: ‘t491’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3314:59: 3314 | + 0.70e2_dp/0.9e1_dp*t695/t8/t1385*t56*t58 | ^ Warning: ‘t489’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t487’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3296:39: 3296 | *(t474)*(t481)*(t1351) | ^ Warning: ‘t483’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3281:27: 3281 | t1333 = t1332*t482 | ^ Warning: ‘t482’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3595:43: 3595 | /0.4e1_dp*t603*t1469*t2473 | ^ Warning: ‘t481’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3583:92: 3583 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515) | ^ Warning: ‘t480’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3521:65: 3521 | *t2072 + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2111) | ^ Warning: ‘t476’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3339:60: 3339 | *t1333) | ^ Warning: ‘t475’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3296:39: 3296 | *(t474)*(t481)*(t1351) | ^ Warning: ‘t474’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3330:26: 3330 | t1453 = t125*t470 | ^ Warning: ‘t470’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3471:93: 3471 | t404 - t733*t365 + 2._dp*t85*t1073 - t85*t1090) | ^ Warning: ‘t468’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3276:132: 3276 | *t979*t68 - 2._dp*t464*t365 + 2._dp*t85*t989 - t85*t1022)) | ^ Warning: ‘t467’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3471:93: 3471 | t404 - t733*t365 + 2._dp*t85*t1073 - t85*t1090) | ^ Warning: ‘t464’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3471:93: Warning: ‘t461’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3471:93: Warning: ‘t458’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3276:132: 3276 | *t979*t68 - 2._dp*t464*t365 + 2._dp*t85*t989 - t85*t1022)) | ^ Warning: ‘t457’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3296:39: 3296 | *(t474)*(t481)*(t1351) | ^ Warning: ‘t454’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t453’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3506:55: 3506 | *t585 - 0.27e2_dp/0.4e1_dp*t2069*t2155 | ^ Warning: ‘t452’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3589:104: 3589 | *t81*t1430*t2279) - (t81*t93*t595*t2279) | ^ Warning: ‘t448’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3486:32: 3486 | t2099 = t447*t127*t2071 | ^ Warning: ‘t447’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3514:70: 3514 | t2195*t2099 + 0.5e1_dp/0.2e1_dp*(t440)*(t448)*(t1946) | ^ Warning: ‘t443’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: 3533 | - (5._dp*t1726*t506*t6*t407) | ^ Warning: ‘t442’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: Warning: ‘t441’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3296:39: 3296 | *(t474)*(t481)*(t1351) | ^ Warning: ‘t440’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3316:26: 3316 | t1407 = t110*t436 | ^ Warning: ‘t436’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: 3459 | - (16._dp*t752*t331)) | ^ Warning: ‘t434’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: 3254 | /0.3e1_dp*t428*t972 + (20._dp*t100*t976)) | ^ Warning: ‘t433’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: Warning: ‘t428’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: Warning: ‘t423’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: 3459 | - (16._dp*t752*t331)) | ^ Warning: ‘t420’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: Warning: ‘t417’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: 3254 | /0.3e1_dp*t428*t972 + (20._dp*t100*t976)) | ^ Warning: ‘t416’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: 3533 | - (5._dp*t1726*t506*t6*t407) | ^ Warning: ‘t413’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3535:89: 3535 | t2274)*Clda)*sx | ^ Warning: ‘t409’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3506:55: 3506 | *t585 - 0.27e2_dp/0.4e1_dp*t2069*t2155 | ^ Warning: ‘t407’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3232:46: 3232 | *t303*t1119 - t338*t303*t1136 | ^ Warning: ‘t405’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3544:115: 3544 | *t68 - 2._dp*t733*t404 + 2._dp*t85*t1119 - t85*t1136) | ^ Warning: ‘t404’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3222:46: 3222 | *t303*t1073 - t338*t303*t1090 | ^ Warning: ‘t403’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3216:132: 3216 | *t355) - (48._dp*t400*t361)) | ^ Warning: ‘t400’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3216:132: Warning: ‘t396’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3216:132: Warning: ‘t395’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3216:132: Warning: ‘t392’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3216:132: Warning: ‘t391’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3232:46: 3232 | *t303*t1119 - t338*t303*t1136 | ^ Warning: ‘t389’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3222:46: 3222 | *t303*t1073 - t338*t303*t1090 | ^ Warning: ‘t388’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3209:25: 3209 | t1034 = t14*t387 | ^ Warning: ‘t387’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3211:73: 3211 | - 0.16e2_dp/0.3e1_dp*t383*t324*t327 - (16._dp*t384*t331) | ^ Warning: ‘t384’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3211:73: Warning: ‘t383’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3229:47: 3229 | + 30._dp*a5*t21*t54*t65) | ^ Warning: ‘t382’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3211:73: 3211 | - 0.16e2_dp/0.3e1_dp*t383*t324*t327 - (16._dp*t384*t331) | ^ Warning: ‘t379’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3211:73: Warning: ‘t378’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3222:46: 3222 | *t303*t1073 - t338*t303*t1090 | ^ Warning: ‘t375’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3212:25: 3212 | t1067 = t374*t18 | ^ Warning: ‘t374’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3467:44: 3467 | t1785 + t243*t1788/0.2e1_dp | ^ Warning: ‘t372’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t369’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3222:46: 3222 | *t303*t1073 - t338*t303*t1090 | ^ Warning: ‘t366’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3471:93: 3471 | t404 - t733*t365 + 2._dp*t85*t1073 - t85*t1090) | ^ Warning: ‘t365’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3213:31: 3213 | t1073 = t987*t364*t403 | ^ Warning: ‘t364’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3216:132: 3216 | *t355) - (48._dp*t400*t361)) | ^ Warning: ‘t361’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3216:132: Warning: ‘t355’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: 3202 | /t12*t63)) | ^ Warning: ‘t353’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3216:132: 3216 | *t355) - (48._dp*t400*t361)) | ^ Warning: ‘t349’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: 3202 | /t12*t63)) | ^ Warning: ‘t348’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: Warning: ‘t347’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3216:132: 3216 | *t355) - (48._dp*t400*t361)) | ^ Warning: ‘t346’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: 3202 | /t12*t63)) | ^ Warning: ‘t341’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3229:47: 3229 | + 30._dp*a5*t21*t54*t65) | ^ Warning: ‘t340’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3194:33: 3194 | t987 = 0.1e1_dp/t339/t67 | ^ Warning: ‘t339’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3203:32: 3203 | t1024 = t338*t303*t1022 | ^ Warning: ‘t338’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3222:46: 3222 | *t303*t1073 - t338*t303*t1090 | ^ Warning: ‘t336’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3178:35: 3178 | t950 = 4._dp*t11*t311*t335 | ^ Warning: ‘t335’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3171:24: 3171 | t933 = t14*t334 | ^ Warning: ‘t334’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: 3459 | - (16._dp*t752*t331)) | ^ Warning: ‘t331’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: Warning: ‘t327’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3186:25: 3186 | t968 = t326*t275 | ^ Warning: ‘t326’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3191:64: 3191 | 0.32e2_dp/0.3e1_dp*t325*t972 + (20._dp*t25*t976) | ^ Warning: ‘t325’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: 3459 | - (16._dp*t752*t331)) | ^ Warning: ‘t324’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: Warning: ‘t321’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3179:23: 3179 | t951 = t4*t320 | ^ Warning: ‘t320’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: 3459 | - (16._dp*t752*t331)) | ^ Warning: ‘t317’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3191:64: 3191 | 0.32e2_dp/0.3e1_dp*t325*t972 + (20._dp*t25*t976) | ^ Warning: ‘t316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: 3459 | - (16._dp*t752*t331)) | ^ Warning: ‘t315’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3222:46: 3222 | *t303*t1073 - t338*t303*t1090 | ^ Warning: ‘t312’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: 3254 | /0.3e1_dp*t428*t972 + (20._dp*t100*t976)) | ^ Warning: ‘t311’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3169:27: 3169 | t930 = t4*t44*t310 | ^ Warning: ‘t310’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: 3202 | /t12*t63)) | ^ Warning: ‘t309’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3222:46: 3222 | *t303*t1073 - t338*t303*t1090 | ^ Warning: ‘t306’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3222:46: Warning: ‘t305’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3197:36: 3197 | t992 = 2._dp*t338*t303*t989 | ^ Warning: ‘t303’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3222:46: 3222 | *t303*t1073 - t338*t303*t1090 | ^ Warning: ‘t302’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3208:26: 3208 | t1031 = t374*t301 | ^ Warning: ‘t301’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: 3254 | /0.3e1_dp*t428*t972 + (20._dp*t100*t976)) | ^ Warning: ‘t99’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: Warning: ‘t96’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3521:65: 3521 | *t2072 + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2111) | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: 3559 | *t1139 - t243*t2336)*alpha6*t247*t249 | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3583:92: 3583 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515) | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3007:22: 3007 | t512 = t92**2 | ^ Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3279:30: 3279 | t1331 = t140*t90*t108 | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: 3364 | *t58 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3544:115: 3544 | *t68 - 2._dp*t733*t404 + 2._dp*t85*t1119 - t85*t1136) | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3276:132: 3276 | *t979*t68 - 2._dp*t464*t365 + 2._dp*t85*t989 - t85*t1022)) | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3544:115: 3544 | *t68 - 2._dp*t733*t404 + 2._dp*t85*t1119 - t85*t1136) | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3506:55: 3506 | *t585 - 0.27e2_dp/0.4e1_dp*t2069*t2155 | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3595:43: 3595 | /0.4e1_dp*t603*t1469*t2473 | ^ Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3235:34: 3235 | t1149 = 0.1e1_dp/t512/t82 | ^ Warning: ‘t82’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3614:71: 3614 | e_ndrho_ndrho = e_ndrho_ndrho + (-t80*(t2391 + t2668)*Clda)*sx | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3314:59: 3314 | + 0.70e2_dp/0.9e1_dp*t695/t8/t1385*t56*t58 | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3234:23: 3234 | t1141 = t78**2 | ^ Warning: ‘t78’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3418:30: 3418 | t1795 = t75*t372*t407 | ^ Warning: ‘t75’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3206:62: 3206 | + t992 - t1024 + 0.10e2_dp/0.9e1_dp*t73*t1026 | ^ Warning: ‘t73’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t72’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2957:53: 2957 | t407 = 2._dp*t375*t70 + t11*t389 - t338*t405 | ^ Warning: ‘t70’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3177:34: 3177 | t947 = 6._dp*t11*t944*t69 | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3544:115: 3544 | *t68 - 2._dp*t733*t404 + 2._dp*t85*t1119 - t85*t1136) | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2921:22: 2921 | t339 = t67**2 | ^ Warning: ‘t67’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3229:47: 3229 | + 30._dp*a5*t21*t54*t65) | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: 3202 | /t12*t63)) | ^ Warning: ‘t63’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2930:31: 2930 | t361 = t60/t61/rho*t63 | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: 3202 | /t12*t63)) | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3229:47: 3229 | + 30._dp*a5*t21*t54*t65) | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: 3202 | /t12*t63)) | ^ Warning: ‘t48’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3187:26: 3187 | t972 = t46*t31*t6 | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: 3202 | /t12*t63)) | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3179:23: 3179 | t951 = t4*t320 | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: 3202 | /t12*t63)) | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2953:26: 2953 | t400 = a5*t38*t54 | ^ Warning: ‘t38’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: 3202 | /t12*t63)) | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3202:67: Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3174:24: 3174 | t939 = t34*t340 | ^ Warning: ‘t34’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3567:93: 3567 | t3*t19 + 12._dp*g3*t1*t24*t32) | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3188:28: 3188 | t976 = t27*t353*t31 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3411:85: 3411 | t727 - t80*(t1392 + t1517 + t1577 + t1742)*Clda)*sx | ^ Warning: ‘t299’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t296’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3314:59: 3314 | + 0.70e2_dp/0.9e1_dp*t695/t8/t1385*t56*t58 | ^ Warning: ‘t295’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t293’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3081:25: 3081 | t681 = t292*t293 | ^ Warning: ‘t292’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3348:34: 3348 | (4._dp*t510*t552) | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t284’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3348:34: 3348 | (4._dp*t510*t552) | ^ Warning: ‘t282’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3302:32: 3302 | t1385 = t1382*t1383*t28 | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t279’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3256:29: 3256 | t1243 = t278*t56*t58 | ^ Warning: ‘t278’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t274’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3086:25: 3086 | t695 = t273*t274 | ^ Warning: ‘t273’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3188:28: 3188 | t976 = t27*t353*t31 | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3373:38: 3373 | t1630 = f2732/t258/t1626/t213 | ^ Warning: ‘t258’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3388:25: 3388 | t1699 = f94/t257 | ^ Warning: ‘t257’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3155:58: 3155 | *t862/0.2e1_dp) + t270*t830)*alpha7 | ^ Warning: ‘t256’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3368:41: 3368 | t1613 = 0.1e1_dp/t253/t1178/t523 | ^ Warning: ‘t253’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3012:34: 3012 | t522 = 0.1e1_dp/t253/t252 | ^ Warning: ‘t252’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3191:64: 3191 | 0.32e2_dp/0.3e1_dp*t325*t972 + (20._dp*t25*t976) | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: 3559 | *t1139 - t243*t2336)*alpha6*t247*t249 | ^ Warning: ‘t249’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3348:34: 3348 | (4._dp*t510*t552) | ^ Warning: ‘t248’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: 3559 | *t1139 - t243*t2336)*alpha6*t247*t249 | ^ Warning: ‘t247’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: Warning: ‘t239’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t238’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3350:25: 3350 | t1538 = t75*t236 | ^ Warning: ‘t236’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: 3559 | *t1139 - t243*t2336)*alpha6*t247*t249 | ^ Warning: ‘t234’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3063:25: 3063 | t633 = t233*t154 | ^ Warning: ‘t233’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3245:41: 3245 | t1181 = 0.1e1_dp/t221/t1178/t185 | ^ Warning: ‘t221’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3467:44: 3467 | t1785 + t243*t1788/0.2e1_dp | ^ Warning: ‘t220’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3191:64: 3191 | 0.32e2_dp/0.3e1_dp*t325*t972 + (20._dp*t25*t976) | ^ Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3384:27: 3384 | t1667 = t1666*t219 | ^ Warning: ‘t219’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3242:40: 3242 | t1167 = 0.1e1_dp/t215/t256/t213 | ^ Warning: ‘t215’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3381:69: 3381 | - 0.3e1_dp/0.4e1_dp*t243*t1159 + t243*t1162/0.2e1_dp | ^ Warning: ‘t214’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3314:59: 3314 | + 0.70e2_dp/0.9e1_dp*t695/t8/t1385*t56*t58 | ^ Warning: ‘t213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3559:107: 3559 | *t1139 - t243*t2336)*alpha6*t247*t249 | ^ Warning: ‘t210’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3229:47: 3229 | + 30._dp*a5*t21*t54*t65) | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2998:25: 2998 | t489 = t209*t153 | ^ Warning: ‘t209’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t204’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: Warning: ‘t202’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: 3364 | *t58 | ^ Warning: ‘t200’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3238:35: 3238 | t1157 = 0.1e1_dp/t190/t213 | ^ Warning: ‘t190’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3114:47: 3114 | t755 = 2._dp*t748*t19 + 4._dp*t752*t32 | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3383:35: 3383 | t1666 = 0.1e1_dp/t187/t523 | ^ Warning: ‘t187’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t186’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3092:25: 3092 | t710 = t709*t185 | ^ Warning: ‘t185’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3090:24: 3090 | t705 = t182*t72 | ^ Warning: ‘t182’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3212:25: 3212 | t1067 = t374*t18 | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t177’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3089:26: 3089 | t702 = t176*omega | ^ Warning: ‘t176’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3191:64: 3191 | 0.32e2_dp/0.3e1_dp*t325*t972 + (20._dp*t25*t976) | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3000:30: 3000 | t496 = t166/t167/t160 | ^ Warning: ‘t167’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t161’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: Warning: ‘t160’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3191:64: 3191 | 0.32e2_dp/0.3e1_dp*t325*t972 + (20._dp*t25*t976) | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3409:132: 3409 | *t234*t1737*t452) | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3453:132: 3453 | *t407) | ^ Warning: ‘t154’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3533:45: 3533 | - (5._dp*t1726*t506*t6*t407) | ^ Warning: ‘t153’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t151’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: 3254 | /0.3e1_dp*t428*t972 + (20._dp*t100*t976)) | ^ Warning: ‘t15’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3364:21: 3364 | *t58 | ^ Warning: ‘t146’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t145’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3332:26: 3332 | t1473 = t125*t141 | ^ Warning: ‘t141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3459:67: 3459 | - (16._dp*t752*t331)) | ^ Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3508:26: 3508 | t2195 = t136*t137 | ^ Warning: ‘t137’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t134’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3314:59: 3314 | + 0.70e2_dp/0.9e1_dp*t695/t8/t1385*t56*t58 | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3232:46: 3232 | *t303*t1119 - t338*t303*t1136 | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3595:43: 3595 | /0.4e1_dp*t603*t1469*t2473 | ^ Warning: ‘t129’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3282:40: 3282 | t1341 = 0.1e1_dp/t128/t115/t114 | ^ Warning: ‘t128’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t127’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3479:26: 3479 | t2069 = t125*t126 | ^ Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3506:55: 3506 | *t585 - 0.27e2_dp/0.4e1_dp*t2069*t2155 | ^ Warning: ‘t122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3328:35: 3328 | t1442 = 0.1e1_dp/t121/t114 | ^ Warning: ‘t121’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2900:23: 2900 | t309 = t12*rho | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3589:104: 3589 | *t81*t1430*t2279) - (t81*t93*t595*t2279) | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3265:41: 3265 | t1273 = 0.1e1_dp/t117/t1270/t114 | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2975:34: 2975 | t447 = 0.1e1_dp/t117/t116 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3499:33: 3499 | t2155 = t1341*t115*t2071 | ^ Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3485:32: 3485 | t2090 = t480*t114*t2071 | ^ Warning: ‘t114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3481:32: 3481 | t2072 = t480*t113*t2071 | ^ Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3613:82: 3613 | *t238*t1139 + t289*t2336)*alpha8*t296) | ^ Warning: ‘t112’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3483:26: 3483 | t2084 = t110*t111 | ^ Warning: ‘t111’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: 3254 | /0.3e1_dp*t428*t972 + (20._dp*t100*t976)) | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3583:92: 3583 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515) | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3437:53: 3437 | 0.10e2_dp*t659*t234*t127*t452*(t407) | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3259:31: 3259 | t1261 = t136*t105*t108 | ^ Warning: ‘t105’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3567:93: 3567 | t3*t19 + 12._dp*g3*t1*t24*t32) | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: 3254 | /0.3e1_dp*t428*t972 + (20._dp*t100*t976)) | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:3254:59: Warning: ‘t100’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2940:24: 2940 | t375 = t374*t10 | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2943:24: 2943 | t382 = t1*ndrho | ^ Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t988’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2479:30: 2479 | *t620*(t1240) | ^ Warning: ‘t982’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t972’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: Warning: ‘t971’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: Warning: ‘t965’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t962’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t958’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2597:92: 2597 | t2975) + 0.3e1_dp/0.2e1_dp*(t746)*(t753)*(t2979) | ^ Warning: ‘t954’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2597:92: Warning: ‘t951’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2597:92: Warning: ‘t945’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2597:92: Warning: ‘t942’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2456:71: 2456 | *t765 - t937*t626/0.3e1_dp + (t2371 + t2401)*t185*t190 | ^ Warning: ‘t937’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2587:63: 2587 | t159 + (2._dp*t2267*t916) + (5._dp*t2267*t919) | ^ Warning: ‘t933’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2423:27: 2423 | t2297 = t1305*t932 | ^ Warning: ‘t932’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2587:63: 2587 | t159 + (2._dp*t2267*t916) + (5._dp*t2267*t919) | ^ Warning: ‘t930’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2587:63: Warning: ‘t919’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2408:27: 2408 | t2258 = t1547*t918 | ^ Warning: ‘t918’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2587:63: 2587 | t159 + (2._dp*t2267*t916) + (5._dp*t2267*t919) | ^ Warning: ‘t916’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t910’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2482:26: 2482 | t2543 = t908*t620 | ^ Warning: ‘t908’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2436:26: 2436 | t2348 = t176*t907 | ^ Warning: ‘t907’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t904’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2404:26: 2404 | t2245 = t902*t142 | ^ Warning: ‘t902’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t898’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: Warning: ‘t897’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: Warning: ‘t893’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: 2403 | - t553*t77*t1236)/0.2e1_dp) | ^ Warning: ‘t892’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: Warning: ‘t891’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t889’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2388:47: 2388 | + t1456*t340*t1457*t440) | ^ Warning: ‘t888’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: 2403 | - t553*t77*t1236)/0.2e1_dp) | ^ Warning: ‘t885’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: Warning: ‘t880’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: 2385 | *t871*t522) + (2._dp*t508*t357*t873) - (4._dp*t877*t522) | ^ Warning: ‘t877’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t876’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: Warning: ‘t874’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: 2385 | *t871*t522) + (2._dp*t508*t357*t873) - (4._dp*t877*t522) | ^ Warning: ‘t873’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: Warning: ‘t871’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2377:26: 2377 | t2142 = t870*t507 | ^ Warning: ‘t870’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t867’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: Warning: ‘t865’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t851’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: Warning: ‘t849’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t848’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2518:114: 2518 | *t68 - 2._dp*t842*t441 + 2._dp*t85*t1265 - t85*t1282) | ^ Warning: ‘t846’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2375:93: 2375 | t441 - t842*t402 + 2._dp*t85*t1220 - t85*t1237) | ^ Warning: ‘t845’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2375:93: Warning: ‘t842’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2368:68: 2368 | t836 - t80*(t1663 + t1802 + t1898 + t2028)*Clda | ^ Warning: ‘t836’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: 2304 | *t1649)*alpha6*t284*t286) | ^ Warning: ‘t832’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: Warning: ‘t826’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: Warning: ‘t823’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: Warning: ‘t820’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t817’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2456:71: 2456 | *t765 - t937*t626/0.3e1_dp + (t2371 + t2401)*t185*t190 | ^ Warning: ‘t816’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: 2304 | *t1649)*alpha6*t284*t286) | ^ Warning: ‘t815’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t812’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t810’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: Warning: ‘t808’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2434:37: 2434 | *t84*t1579*t587*t444 | ^ Warning: ‘t804’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2226:93: 2226 | *t784) - (2._dp*t779*t656*t1297) | ^ Warning: ‘t803’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2434:37: 2434 | *t84*t1579*t587*t444 | ^ Warning: ‘t801’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2226:93: 2226 | *t784) - (2._dp*t779*t656*t1297) | ^ Warning: ‘t800’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2226:93: Warning: ‘t799’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2246:69: 2246 | /0.2e1_dp - t166*t1355*t83*t170 + (2._dp*t1294*t801) | ^ Warning: ‘t792’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2434:37: 2434 | *t84*t1579*t587*t444 | ^ Warning: ‘t791’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2246:69: 2246 | /0.2e1_dp - t166*t1355*t83*t170 + (2._dp*t1294*t801) | ^ Warning: ‘t787’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2434:37: 2434 | *t84*t1579*t587*t444 | ^ Warning: ‘t784’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2246:69: 2246 | /0.2e1_dp - t166*t1355*t83*t170 + (2._dp*t1294*t801) | ^ Warning: ‘t783’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2418:75: 2418 | t2269*t2271) | ^ Warning: ‘t781’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2246:69: 2246 | /0.2e1_dp - t166*t1355*t83*t170 + (2._dp*t1294*t801) | ^ Warning: ‘t780’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2581:32: 2581 | *(t783)*(t2927) | ^ Warning: ‘t779’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t772’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2312:26: 2312 | t1853 = t771*t275 | ^ Warning: ‘t771’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t769’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2456:71: 2456 | *t765 - t937*t626/0.3e1_dp + (t2371 + t2401)*t185*t190 | ^ Warning: ‘t765’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2332:58: 2332 | *(t1176)) - t267*t1731)*alpha5*t271 | ^ Warning: ‘t763’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: 2304 | *t1649)*alpha6*t284*t286) | ^ Warning: ‘t761’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: Warning: ‘t759’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2351:39: 2351 | *(t746)*(t753)*(t1318) | ^ Warning: ‘t755’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2164:27: 2164 | t1306 = t1305*t754 | ^ Warning: ‘t754’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2581:32: 2581 | *(t783)*(t2927) | ^ Warning: ‘t753’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2597:92: 2597 | t2975) + 0.3e1_dp/0.2e1_dp*(t746)*(t753)*(t2979) | ^ Warning: ‘t752’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2450:65: 2450 | *t2271 + 0.3e1_dp/0.2e1_dp*(t746)*(t753)*(t2311) | ^ Warning: ‘t748’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2351:39: 2351 | *(t746)*(t753)*(t1318) | ^ Warning: ‘t747’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2351:39: Warning: ‘t746’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2351:39: Warning: ‘t740’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2581:32: 2581 | *(t783)*(t2927) | ^ Warning: ‘t739’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2443:70: 2443 | t2363*t2305 + 0.5e1_dp/0.2e1_dp*(t735)*(t739)*(t2059) | ^ Warning: ‘t736’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2351:39: 2351 | *(t746)*(t753)*(t1318) | ^ Warning: ‘t735’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2332:58: 2332 | *(t1176)) - t267*t1731)*alpha5*t271 | ^ Warning: ‘t728’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2481:26: 2481 | t2529 = t721*t444 | ^ Warning: ‘t721’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2265:101: 2265 | *t1301) - (15._dp*t1658*t271*t588*t453) | ^ Warning: ‘t718’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2265:101: Warning: ‘t717’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2265:101: Warning: ‘t713’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2332:58: 2332 | *(t1176)) - t267*t1731)*alpha5*t271 | ^ Warning: ‘t711’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2284:69: 2284 | - 0.3e1_dp/0.4e1_dp*t280*t1723 + t280*t1726/0.2e1_dp | ^ Warning: ‘t701’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2458:26: 2458 | t2437 = t698*t444 | ^ Warning: ‘t698’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2284:69: 2284 | - 0.3e1_dp/0.4e1_dp*t280*t1723 + t280*t1726/0.2e1_dp | ^ Warning: ‘t697’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2284:69: Warning: ‘t691’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2352:35: 2352 | t1983 = 0.1e1_dp/t224/t690 | ^ Warning: ‘t690’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2270:26: 2270 | t1686 = t689*t257 | ^ Warning: ‘t689’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t685’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t681’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t679’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: Warning: ‘t673’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2265:101: 2265 | *t1301) - (15._dp*t1658*t271*t588*t453) | ^ Warning: ‘t669’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t663’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t659’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2456:71: 2456 | *t765 - t937*t626/0.3e1_dp + (t2371 + t2401)*t185*t190 | ^ Warning: ‘t658’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: 2304 | *t1649)*alpha6*t284*t286) | ^ Warning: ‘t657’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t656’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t653’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t645’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2318:26: 2318 | t1885 = t644*t223 | ^ Warning: ‘t644’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t639’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2468:44: 2468 | t2449 + t280*t2452/0.2e1_dp | ^ Warning: ‘t638’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2479:30: 2479 | *t620*(t1240) | ^ Warning: ‘t631’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2332:58: 2332 | *(t1176)) - t267*t1731)*alpha5*t271 | ^ Warning: ‘t629’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2479:30: 2479 | *t620*(t1240) | ^ Warning: ‘t626’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2265:101: 2265 | *t1301) - (15._dp*t1658*t271*t588*t453) | ^ Warning: ‘t624’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2456:71: 2456 | *t765 - t937*t626/0.3e1_dp + (t2371 + t2401)*t185*t190 | ^ Warning: ‘t621’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2482:26: 2482 | t2543 = t908*t620 | ^ Warning: ‘t620’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t617’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2265:101: 2265 | *t1301) - (15._dp*t1658*t271*t588*t453) | ^ Warning: ‘t613’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t603’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2539:27: 2539 | t2841 = t602*t1285 | ^ Warning: ‘t602’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t597’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2354:26: 2354 | t1988 = t596*t199 | ^ Warning: ‘t596’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t592’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2456:71: 2456 | *t765 - t937*t626/0.3e1_dp + (t2371 + t2401)*t185*t190 | ^ Warning: ‘t589’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2479:30: 2479 | *t620*(t1240) | ^ Warning: ‘t588’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t587’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2479:30: 2479 | *t620*(t1240) | ^ Warning: ‘t583’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2597:92: 2597 | t2975) + 0.3e1_dp/0.2e1_dp*(t746)*(t753)*(t2979) | ^ Warning: ‘t582’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2424:32: 2424 | t2305 = t581*t168*t2072 | ^ Warning: ‘t581’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t578’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: Warning: ‘t576’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2335:26: 2335 | t1923 = t176*t575 | ^ Warning: ‘t575’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2407:50: 2407 | 0.7e1_dp/0.2e1_dp*t569*t571*t1240 | ^ Warning: ‘t572’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2407:50: Warning: ‘t571’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2407:50: Warning: ‘t569’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2201:26: 2201 | t1520 = t567*t142 | ^ Warning: ‘t567’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: 2403 | - t553*t77*t1236)/0.2e1_dp) | ^ Warning: ‘t563’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: Warning: ‘t562’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: Warning: ‘t558’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t557’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: 2403 | - t553*t77*t1236)/0.2e1_dp) | ^ Warning: ‘t556’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: Warning: ‘t554’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2142:41: 2142 | *t1220 - t375*t340*t1237 | ^ Warning: ‘t553’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t552’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: Warning: ‘t551’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: Warning: ‘t550’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: Warning: ‘t542’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: Warning: ‘t540’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: Warning: ‘t539’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2195:31: 2195 | t1478 = t125*t538*t129 | ^ Warning: ‘t538’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t537’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2388:47: 2388 | + t1456*t340*t1457*t440) | ^ Warning: ‘t535’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t534’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: Warning: ‘t533’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: Warning: ‘t531’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2190:30: 2190 | t1442 = t96*t115*t525 | ^ Warning: ‘t525’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: 2385 | *t871*t522) + (2._dp*t508*t357*t873) - (4._dp*t877*t522) | ^ Warning: ‘t522’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: Warning: ‘t518’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2091:24: 2091 | t1086 = t4*t515 | ^ Warning: ‘t515’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2188:68: 2188 | *t514*t1078*t14*t517 + 0.6e1_dp*t118*t119*t1091*t77 | ^ Warning: ‘t514’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: 2385 | *t871*t522) + (2._dp*t508*t357*t873) - (4._dp*t877*t522) | ^ Warning: ‘t513’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: Warning: ‘t511’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2188:68: 2188 | *t514*t1078*t14*t517 + 0.6e1_dp*t118*t119*t1091*t77 | ^ Warning: ‘t510’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t509’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2188:68: 2188 | *t514*t1078*t14*t517 + 0.6e1_dp*t118*t119*t1091*t77 | ^ Warning: ‘t508’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2377:26: 2377 | t2142 = t870*t507 | ^ Warning: ‘t507’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2188:68: 2188 | *t514*t1078*t14*t517 + 0.6e1_dp*t118*t119*t1091*t77 | ^ Warning: ‘t504’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: 2385 | *t871*t522) + (2._dp*t508*t357*t873) - (4._dp*t877*t522) | ^ Warning: ‘t503’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: 2403 | - t553*t77*t1236)/0.2e1_dp) | ^ Warning: ‘t499’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t498’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2177:25: 2177 | t1379 = t495*t82 | ^ Warning: ‘t495’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: 2403 | - t553*t77*t1236)/0.2e1_dp) | ^ Warning: ‘t493’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: Warning: ‘t486’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: Warning: ‘t481’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2375:93: 2375 | t441 - t842*t402 + 2._dp*t85*t1220 - t85*t1237) | ^ Warning: ‘t479’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2176:132: 2176 | (F2*t1126*t68 - 2._dp*t475*t402 + 2._dp*t85*t1136 - t85*t1169)) | ^ Warning: ‘t478’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2375:93: 2375 | t441 - t842*t402 + 2._dp*t85*t1220 - t85*t1237) | ^ Warning: ‘t475’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2375:93: Warning: ‘t472’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2375:93: Warning: ‘t469’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2176:132: 2176 | (F2*t1126*t68 - 2._dp*t475*t402 + 2._dp*t85*t1136 - t85*t1169)) | ^ Warning: ‘t468’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t465’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: 2304 | *t1649)*alpha6*t284*t286) | ^ Warning: ‘t463’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t457’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t454’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: Warning: ‘t453’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t452’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2456:71: 2456 | *t765 - t937*t626/0.3e1_dp + (t2371 + t2401)*t185*t190 | ^ Warning: ‘t449’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2516:86: 2516 | + t2688)*Clda | ^ Warning: ‘t446’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2418:75: 2418 | t2269*t2271) | ^ Warning: ‘t444’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2155:34: 2155 | - t375*t340*t1282 | ^ Warning: ‘t442’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2518:114: 2518 | *t68 - 2._dp*t842*t441 + 2._dp*t85*t1265 - t85*t1282) | ^ Warning: ‘t441’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2388:47: 2388 | + t1456*t340*t1457*t440) | ^ Warning: ‘t440’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: 2135 | - (48._dp*t437*t398) | ^ Warning: ‘t437’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: Warning: ‘t433’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: Warning: ‘t432’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: Warning: ‘t429’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: Warning: ‘t428’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2155:34: 2155 | - t375*t340*t1282 | ^ Warning: ‘t426’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2142:41: 2142 | *t1220 - t375*t340*t1237 | ^ Warning: ‘t425’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2389:26: 2389 | t2224 = t424*t377 | ^ Warning: ‘t424’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2129:73: 2129 | - 0.16e2_dp/0.3e1_dp*t420*t361*t364 - (16._dp*t421*t368) | ^ Warning: ‘t421’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2129:73: Warning: ‘t420’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2151:32: 2151 | *a5*t21*t54*t65 | ^ Warning: ‘t419’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2129:73: 2129 | - 0.16e2_dp/0.3e1_dp*t420*t361*t364 - (16._dp*t421*t368) | ^ Warning: ‘t416’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2129:73: Warning: ‘t415’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2142:41: 2142 | *t1220 - t375*t340*t1237 | ^ Warning: ‘t412’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2131:25: 2131 | t1214 = t411*t18 | ^ Warning: ‘t411’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t409’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t406’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2142:41: 2142 | *t1220 - t375*t340*t1237 | ^ Warning: ‘t403’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2375:93: 2375 | t441 - t842*t402 + 2._dp*t85*t1220 - t85*t1237) | ^ Warning: ‘t402’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t401’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: 2135 | - (48._dp*t437*t398) | ^ Warning: ‘t398’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: Warning: ‘t392’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: 2118 | *t63) | ^ Warning: ‘t390’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: 2135 | - (48._dp*t437*t398) | ^ Warning: ‘t386’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: 2118 | *t63) | ^ Warning: ‘t385’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: Warning: ‘t384’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: 2135 | - (48._dp*t437*t398) | ^ Warning: ‘t383’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: 2118 | *t63) | ^ Warning: ‘t378’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2389:26: 2389 | t2224 = t424*t377 | ^ Warning: ‘t377’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2110:34: 2110 | t1134 = 0.1e1_dp/t376/t67 | ^ Warning: ‘t376’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2120:32: 2120 | t1171 = t375*t340*t1169 | ^ Warning: ‘t375’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2142:41: 2142 | *t1220 - t375*t340*t1237 | ^ Warning: ‘t373’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2096:36: 2096 | t1097 = 4._dp*t11*t348*t372 | ^ Warning: ‘t372’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2199:26: 2199 | t1498 = t371*t377 | ^ Warning: ‘t371’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: 2135 | - (48._dp*t437*t398) | ^ Warning: ‘t368’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: Warning: ‘t364’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2100:26: 2100 | t1115 = t363*t312 | ^ Warning: ‘t363’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2106:88: 2106 | *t25*t1123) | ^ Warning: ‘t362’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2135:37: 2135 | - (48._dp*t437*t398) | ^ Warning: ‘t361’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2129:73: 2129 | - 0.16e2_dp/0.3e1_dp*t420*t361*t364 - (16._dp*t421*t368) | ^ Warning: ‘t358’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: 2385 | *t871*t522) + (2._dp*t508*t357*t873) - (4._dp*t877*t522) | ^ Warning: ‘t357’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2129:73: 2129 | - 0.16e2_dp/0.3e1_dp*t420*t361*t364 - (16._dp*t421*t368) | ^ Warning: ‘t354’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2106:88: 2106 | *t25*t1123) | ^ Warning: ‘t353’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t352’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2142:41: 2142 | *t1220 - t375*t340*t1237 | ^ Warning: ‘t349’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t348’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: Warning: ‘t347’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: 2118 | *t63) | ^ Warning: ‘t346’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2142:41: 2142 | *t1220 - t375*t340*t1237 | ^ Warning: ‘t343’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2142:41: Warning: ‘t342’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2113:38: 2113 | t1139 = 2._dp*t375*t340*t1136 | ^ Warning: ‘t340’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2142:41: 2142 | *t1220 - t375*t340*t1237 | ^ Warning: ‘t339’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2125:26: 2125 | t1178 = t411*t338 | ^ Warning: ‘t338’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2516:86: 2516 | + t2688)*Clda | ^ Warning: ‘t1069’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t1066’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2456:71: 2456 | *t765 - t937*t626/0.3e1_dp + (t2371 + t2401)*t185*t190 | ^ Warning: ‘t1052’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2456:71: Warning: ‘t1035’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t1024’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2479:30: 2479 | *t620*(t1240) | ^ Warning: ‘t1009’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2479:30: Warning: ‘t1001’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2450:65: 2450 | *t2271 + 0.3e1_dp/0.2e1_dp*(t746)*(t753)*(t2311) | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2597:92: 2597 | t2975) + 0.3e1_dp/0.2e1_dp*(t746)*(t753)*(t2979) | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2340:30: 2340 | t1961 = t180*t90*t149 | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2006:41: 2006 | t848 = 2._dp*t412*t88 + t11*t846 | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2176:132: 2176 | (F2*t1126*t68 - 2._dp*t475*t402 + 2._dp*t85*t1136 - t85*t1169)) | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2518:114: 2518 | *t68 - 2._dp*t842*t441 + 2._dp*t85*t1265 - t85*t1282) | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2434:37: 2434 | *t84*t1579*t587*t444 | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2587:63: 2587 | t159 + (2._dp*t2267*t916) + (5._dp*t2267*t919) | ^ Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1836:24: 1836 | t486 = t82*t453 | ^ Warning: ‘t82’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2612:65: 2612 | e_ndrho_ndrho = e_ndrho_ndrho - t80*(t2963 + t3167)*Clda | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: 2304 | *t1649)*alpha6*t284*t286) | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2157:23: 2157 | t1287 = t78**2 | ^ Warning: ‘t78’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2459:30: 2459 | t2442 = t75*t409*t444 | ^ Warning: ‘t75’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2123:71: 2123 | - t1132 + t1139 - t1171 + 0.10e2_dp/0.9e1_dp*t73*t1173 | ^ Warning: ‘t73’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t72’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1817:53: 1817 | t444 = 2._dp*t412*t70 + t11*t426 - t375*t442 | ^ Warning: ‘t70’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2095:36: 2095 | t1094 = 6._dp*t11*t1091*t69 | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2016:25: 2016 | t876 = t68*ndrho | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1781:22: 1781 | t376 = t67**2 | ^ Warning: ‘t67’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2151:32: 2151 | *a5*t21*t54*t65 | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: 2118 | *t63) | ^ Warning: ‘t63’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1790:31: 1790 | t398 = t60/t61/rho*t63 | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: 2118 | *t63) | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2151:32: 2151 | *a5*t21*t54*t65 | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: 2118 | *t63) | ^ Warning: ‘t48’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2101:27: 2101 | t1119 = t46*t31*t6 | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: 2118 | *t63) | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2182:33: 2182 | t1409 = t116*t377*t4*t44 | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: 2118 | *t63) | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1813:26: 1813 | t437 = a5*t38*t54 | ^ Warning: ‘t38’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: 2118 | *t63) | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2118:47: Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2200:26: 2200 | t1501 = t34*t1134 | ^ Warning: ‘t34’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2368:68: 2368 | t836 - t80*(t1663 + t1802 + t1898 + t2028)*Clda | ^ Warning: ‘t336’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t333’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2332:58: 2332 | *(t1176)) - t267*t1731)*alpha5*t271 | ^ Warning: ‘t332’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t330’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1824:25: 1824 | t457 = t329*t330 | ^ Warning: ‘t329’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2265:101: 2265 | *t1301) - (15._dp*t1658*t271*t588*t453) | ^ Warning: ‘t321’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2151:32: 2151 | *a5*t21*t54*t65 | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: 2304 | *t1649)*alpha6*t284*t286) | ^ Warning: ‘t319’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t315’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2456:71: 2456 | *t765 - t937*t626/0.3e1_dp + (t2371 + t2401)*t185*t190 | ^ Warning: ‘t311’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1963:25: 1963 | t761 = t310*t311 | ^ Warning: ‘t310’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2102:29: 2102 | t1123 = t27*t390*t31 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2272:38: 2272 | t1697 = f2732/t295/t1693/t250 | ^ Warning: ‘t295’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2253:25: 2253 | t1633 = f94/t294 | ^ Warning: ‘t294’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t293’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2267:41: 2267 | t1680 = 0.1e1_dp/t290/t1677/t690 | ^ Warning: ‘t290’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: 2304 | *t1649)*alpha6*t284*t286) | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1934:34: 1934 | t689 = 0.1e1_dp/t290/t289 | ^ Warning: ‘t289’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t286’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: 2304 | *t1649)*alpha6*t284*t286) | ^ Warning: ‘t285’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t284’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2289:32: 2289 | t1770 = t1767*t1768*t28 | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t276’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t275’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2311:25: 2311 | t1846 = t75*t273 | ^ Warning: ‘t273’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t271’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1988:25: 1988 | t815 = t270*t193 | ^ Warning: ‘t270’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: 2403 | - t553*t77*t1236)/0.2e1_dp) | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2316:41: 2316 | t1880 = 0.1e1_dp/t258/t1677/t222 | ^ Warning: ‘t258’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2468:44: 2468 | t2449 + t280*t2452/0.2e1_dp | ^ Warning: ‘t257’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t256’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2273:40: 2273 | t1709 = 0.1e1_dp/t252/t293/t250 | ^ Warning: ‘t252’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2284:69: 2284 | - 0.3e1_dp/0.4e1_dp*t280*t1723 + t280*t1726/0.2e1_dp | ^ Warning: ‘t251’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t250’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2106:88: 2106 | *t25*t1123) | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t247’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1909:25: 1909 | t629 = t246*t192 | ^ Warning: ‘t246’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t241’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: Warning: ‘t239’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2304:94: 2304 | *t1649)*alpha6*t284*t286) | ^ Warning: ‘t237’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2276:35: 2276 | t1722 = 0.1e1_dp/t227/t250 | ^ Warning: ‘t227’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2352:35: 2352 | t1983 = 0.1e1_dp/t224/t690 | ^ Warning: ‘t224’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t223’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1935:25: 1935 | t690 = t256*t222 | ^ Warning: ‘t222’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2106:88: 2106 | *t25*t1123) | ^ Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1896:24: 1896 | t592 = t219*t72 | ^ Warning: ‘t219’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t214’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1907:26: 1907 | t624 = t213*omega | ^ Warning: ‘t213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2151:32: 2151 | *a5*t21*t54*t65 | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1930:29: 1930 | t673 = t97/t205/t199 | ^ Warning: ‘t205’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t200’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: Warning: ‘t199’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t195’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t194’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t193’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2479:30: 2479 | *t620*(t1240) | ^ Warning: ‘t192’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t190’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: 2385 | *t871*t522) + (2._dp*t508*t357*t873) - (4._dp*t877*t522) | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2265:101: 2265 | *t1301) - (15._dp*t1658*t271*t588*t453) | ^ Warning: ‘t186’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t185’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2162:26: 2162 | t1304 = t166*t181 | ^ Warning: ‘t181’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2437:26: 2437 | t2363 = t176*t177 | ^ Warning: ‘t177’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2366:48: 2366 | /0.9e1_dp*t457/t9/t1770*t56*t58 | ^ Warning: ‘t174’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2597:92: 2597 | t2975) + 0.3e1_dp/0.2e1_dp*(t746)*(t753)*(t2979) | ^ Warning: ‘t170’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2106:88: 2106 | *t25*t1123) | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2170:40: 2170 | t1324 = 0.1e1_dp/t169/t156/t155 | ^ Warning: ‘t169’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2494:24: 2494 | *(t444) | ^ Warning: ‘t168’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2410:26: 2410 | t2269 = t166*t167 | ^ Warning: ‘t167’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2418:75: 2418 | t2269*t2271) | ^ Warning: ‘t163’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2239:35: 2239 | t1579 = 0.1e1_dp/t162/t155 | ^ Warning: ‘t162’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2106:88: 2106 | *t25*t1123) | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2479:30: 2479 | *t620*(t1240) | ^ Warning: ‘t159’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2233:41: 2233 | t1562 = 0.1e1_dp/t158/t1559/t155 | ^ Warning: ‘t158’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1890:34: 1890 | t581 = 0.1e1_dp/t158/t157 | ^ Warning: ‘t157’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2514:27: 2514 | *t156*t444 | ^ Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2422:32: 2422 | t2291 = t752*t155*t2072 | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2411:32: 2411 | t2271 = t752*t154*t2072 | ^ Warning: ‘t154’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2570:55: 2570 | + (5._dp*t2329*t965) - (t81*t93*t1285) | ^ Warning: ‘t153’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2419:26: 2419 | t2280 = t151*t152 | ^ Warning: ‘t152’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t15’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2597:92: 2597 | t2975) + 0.3e1_dp/0.2e1_dp*(t746)*(t753)*(t2979) | ^ Warning: ‘t149’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2309:32: 2309 | t1835 = t148*t149*t1562 | ^ Warning: ‘t148’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2336:31: 2336 | t1932 = t176*t147*t149 | ^ Warning: ‘t147’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t145’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1883:25: 1883 | t569 = t141*t142 | ^ Warning: ‘t141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2375:93: 2375 | t441 - t842*t402 + 2._dp*t85*t1220 - t85*t1237) | ^ Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t136’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: 2403 | - t553*t77*t1236)/0.2e1_dp) | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: Warning: ‘t132’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t131’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2403:131: 2403 | - t553*t77*t1236)/0.2e1_dp) | ^ Warning: ‘t129’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2611:106: 2611 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: ‘t128’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t127’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1870:30: 1870 | t550 = t125*t126*t128 | ^ Warning: ‘t125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2191:25: 2191 | t1445 = t96*t124 | ^ Warning: ‘t124’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t123’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: Warning: ‘t121’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2385:123: 2385 | *t871*t522) + (2._dp*t508*t357*t873) - (4._dp*t877*t522) | ^ Warning: ‘t120’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1760:23: 1760 | t346 = t12*rho | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2388:47: 2388 | + t1456*t340*t1457*t440) | ^ Warning: ‘t119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2188:68: 2188 | *t514*t1078*t14*t517 + 0.6e1_dp*t118*t119*t1091*t77 | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: 2536 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1285) | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2536:58: Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1840:30: 1840 | t498 = t109/t110/t495 | ^ Warning: ‘t110’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2176:132: 2176 | (F2*t1126*t68 - 2._dp*t475*t402 + 2._dp*t85*t1136 - t85*t1169)) | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2219:58: 2219 | - 0.7e1_dp/0.2e1_dp*(t569)*(t571)*(t1301) | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:2106:88: 2106 | *t25*t1123) | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F:1803:24: 1803 | t419 = t1*ndrho | ^ Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_xwpbe.mod' due to: xc_xwpbe.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xwpbe.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathlib.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_pbe.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod xc_input_constants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F xc_pbe.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_pbe.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:1923:38: 1923 | t477 = 0.1e1_dp/t475*mu | ^ Warning: ‘mu’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:1524:25: 1524 | kf_brhobrhob, mu | ^ note: ‘mu’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:1735:51: 1735 | Fx_b = 0.1e1_dp + kappa - kappa/t153 | ^ Warning: ‘kappa’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:1523:42: 1523 | k_s1rhob, k_srhoa, k_srhob, kappa, kf_a, kf_arhoa, kf_arhoarhoa, kf_b, kf_brhob, & | ^ note: ‘kappa’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:1692:31: 1692 | t101 = beta*t100 | ^ Warning: ‘beta’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:1512:24: 1512 | Arhobrhob, beta, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, & | ^ note: ‘beta’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:1108:55: 1108 | t1385 = 0.1e1_dp/t1380*t469*mu*t101*s | ^ Warning: ‘mu’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:431:24: 431 | kfrhorhorho, mu, my_norm_drho, my_rho, p_1, p_2, rs, rs2rho, rsrho, rsrhorho, & | ^ note: ‘mu’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:1109:34: 1109 | t1386 = kappa**2 | ^ Warning: ‘kappa’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:430:66: 430 | k_s1rhorho, k_s2rho, k_srho, k_srho1rho, k_srhorho, kappa, kf, kf2rho, kfrho, kfrhorho, & | ^ note: ‘kappa’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:956:34: 956 | t879 = beta/t877 | ^ Warning: ‘beta’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F:423:25: 423 | Arhorhorho, beta, beta_1_1, beta_2_1, beta_3_1, beta_4_1, e_c_u_0, e_c_u_01rho, & | ^ note: ‘beta’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_pbe.mod' due to: xc_pbe.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pbe.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod xc_input_constants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_xalpha.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xalpha.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod cp_array_utils.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xalpha.F xc_xalpha.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xalpha.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_xalpha.mod' due to: xc_xalpha.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xalpha.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod cp_array_utils.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_perdew_wang.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod xc_input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F xc_perdew_wang.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_perdew_wang.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:632:65: 632 | + trz*r(1)*z(0, 2) + tzz*z(0, 2)*z(1, 0) + tz*z(1, 2) | ^ Warning: ‘tzz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:496:63: 496 | tzz, tzzz | ^ note: ‘tzz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:603:56: 603 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) | ^ Warning: ‘trz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:495:89: 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘trz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:603:56: 603 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) | ^ Warning: ‘trr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:495:72: 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘trr’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:495:99: 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ Warning: ‘tz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:597:37: 597 | ed(m) = tr*r(1) + tz*z(1, 0) | ^ Warning: ‘tr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:495:67: 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘tr’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:638:53: 638 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) | ^ Warning: ‘tzzz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:496:69: 496 | tzz, tzzz | ^ note: ‘tzzz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:624:65: 624 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) | ^ Warning: ‘trzz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:495:95: 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘trzz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:616:53: 616 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) | ^ Warning: ‘trrz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:495:84: 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘trrz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:616:53: 616 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) | ^ Warning: ‘trrr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F:495:78: 495 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘trrr’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_perdew_wang.mod' due to: xc_perdew_wang.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.F /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod xc_input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_tfw.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_tfw.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod cp_array_utils.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_tfw.F xc_tfw.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_tfw.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_tfw.mod' due to: xc_tfw.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_tfw.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod cp_array_utils.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_lyp_adiabatic.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_lyp_adiabatic.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) | ^ Warning: ‘t96’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:91: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t96’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:86: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t95’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:81: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t94’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:600:40: 600 | t250 = 4*t18*t78*t141*t91 | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:76: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t91’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: 619 | t300 - 0.1111111111e0_dp*t115*t188) | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:71: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t90’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:592:37: 592 | t216 = 0.1e1_dp/t77/t9 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:66: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t9’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:597:59: 597 | t231 = t14*t223*t225*lambda*t17*t87/0.3e1_dp | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:62: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t87’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: 619 | t300 - 0.1111111111e0_dp*t115*t188) | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:57: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t86’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:569:38: 569 | t153 = 0.1e1_dp/t21/t84 | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:47: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t84’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:631:108: 631 | - t300 - 0.1111111111e0_dp*t115*t316) | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:37: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t80’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:606:42: 606 | t280 = t102*t169*t78*lambda | ^ Warning: ‘t78’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:32: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t78’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:592:37: 592 | t216 = 0.1e1_dp/t77/t9 | ^ Warning: ‘t77’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:27: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t77’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:605:31: 605 | t276 = d*t76*t10 | ^ Warning: ‘t76’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:22: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t76’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:593:71: 593 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103 | ^ Warning: ‘t74’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:17: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t74’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) | ^ Warning: ‘t73’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:465:12: 465 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: ‘t73’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:599:66: 599 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103 | ^ Warning: ‘t67’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:90: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t67’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:639:61: 639 | *t355) + REAL(2*t65*my_ndrhoa, dp) | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:85: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t65’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:647:61: 647 | *t387) + REAL(2*t63*my_ndrhob, dp) | ^ Warning: ‘t63’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:80: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t63’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:561:41: 561 | t135 = 0.1e1_dp/t6/t19*t78 | ^ Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:70: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t6’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:627:67: 627 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 | ^ Warning: ‘t58’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:66: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t58’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:615:60: 615 | /0.3e1_dp*t285)*t55 | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:61: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t55’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:639:61: 639 | *t355) + REAL(2*t65*my_ndrhoa, dp) | ^ Warning: ‘t51’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:56: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t51’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:568:51: 568 | t151 = t14*t146*t141*t67*t5/0.3e1_dp | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:51: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t5’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:613:26: 613 | *t49 | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:47: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t49’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:590:132: 590 | *my_rhoa + t196)*t48 + t200*t47 | ^ Warning: ‘t48’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:42: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t48’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:627:67: 627 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 | ^ Warning: ‘t47’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:37: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t47’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:639:61: 639 | *t355) + REAL(2*t65*my_ndrhoa, dp) | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:464:32: 464 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, & | ^ note: ‘t46’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:610:26: 610 | *t42 | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:463:73: 463 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 | ^ note: ‘t42’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:653:103: 653 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp) | ^ Warning: ‘t41’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:463:68: 463 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 | ^ note: ‘t41’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:627:67: 627 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47 | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:463:12: 463 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42 | ^ note: ‘t32’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:645:34: 645 | t387 = t3*my_ndrhob | ^ Warning: ‘t3’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:462:69: 462 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, & | ^ note: ‘t3’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:590:132: 590 | *my_rhoa + t196)*t48 + t200*t47 | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:462:41: 462 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, & | ^ note: ‘t28’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:647:61: 647 | *t387) + REAL(2*t63*my_ndrhob, dp) | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:461:76: 461 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & | ^ note: ‘t25’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: 619 | t300 - 0.1111111111e0_dp*t115*t188) | ^ Warning: ‘t24’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:461:65: 461 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & | ^ note: ‘t24’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) | ^ Warning: ‘t23’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:461:48: 461 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, & | ^ note: ‘t23’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:593:71: 593 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103 | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:92: 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & | ^ note: ‘t21’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:584:46: 584 | t194 = 0.1333333333e1_dp*t2*t42 | ^ Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:75: 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & | ^ note: ‘t2’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:653:103: 653 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp) | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:53: 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & | ^ note: ‘t19’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: 619 | t300 - 0.1111111111e0_dp*t115*t188) | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:460:24: 460 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, & | ^ note: ‘t18’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:597:59: 597 | t231 = t14*t223*t225*lambda*t17*t87/0.3e1_dp | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:459:88: 459 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, & | ^ note: ‘t17’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:571:29: 571 | t162 = t15*t76 | ^ Warning: ‘t15’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:459:42: 459 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, & | ^ note: ‘t15’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: 619 | t300 - 0.1111111111e0_dp*t115*t188) | ^ Warning: ‘t119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:49: 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & | ^ note: ‘t119’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:631:108: 631 | - t300 - 0.1111111111e0_dp*t115*t316) | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:43: 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & | ^ note: ‘t118’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) | ^ Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:37: 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & | ^ note: ‘t115’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:643:132: 643 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355)) | ^ Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:31: 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & | ^ note: ‘t113’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:656:132: 656 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp)) | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:25: 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & | ^ note: ‘t108’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:599:66: 599 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103 | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:458:13: 458 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, & | ^ note: ‘t103’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:619:103: 619 | t300 - 0.1111111111e0_dp*t115*t188) | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:457:84: 457 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, & | ^ note: ‘t10’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:560:43: 560 | t132 = 0.40e1_dp*t1*t129*t10 | ^ Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F:457:79: 457 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, & | ^ note: ‘t1’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_lyp_adiabatic.mod' due to: xc_lyp_adiabatic.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp_adiabatic.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_b97.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_b97.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod xc_input_constants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_b97.F xc_b97.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_b97.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_b97.mod' due to: xc_b97.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_b97.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod xc_input_constants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_exchange_gga.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_exchange_gga.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod cp_array_utils.mod mathconstants.mod xc_input_constants.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_exchange_gga.F xc_exchange_gga.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_exchange_gga.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_exchange_gga.mod' due to: xc_exchange_gga.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_exchange_gga.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod cp_array_utils.mod mathconstants.mod xc_input_constants.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_libxc_wrap.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_libxc_wrap.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_libxc_wrap.F xc_libxc_wrap.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_libxc_wrap.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_libxc_wrap.mod' due to: xc_libxc_wrap.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_libxc_wrap.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_libxc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_libxc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod base_hooks.mod xc_libxc_wrap.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_libxc.F xc_libxc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_libxc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_libxc.mod' due to: xc_libxc.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_libxc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod kinds.mod bibliography.mod base_hooks.mod xc_libxc_wrap.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_vwn.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod xc_input_constants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F xc_vwn.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_vwn.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1476:30: 1476 | t288 = t287*t97 | ^ Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1272:35: 1272 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p | ^ note: ‘t97’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1484:72: 1484 | t109*(t295*t96 + 0.3177280975e0_dp*t298*t284)*t122 | ^ Warning: ‘t96’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1272:30: 1272 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p | ^ note: ‘t96’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1508:56: 1508 | t55 + t93 + t127)*sc | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1271:85: 1271 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & | ^ note: ‘t93’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1424:30: 1424 | t206 = t144*t92 | ^ Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1271:80: 1271 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & | ^ note: ‘t92’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1765:30: 1765 | t752 = t90*t751 | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1271:40: 1271 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & | ^ note: ‘t90’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1769:29: 1769 | t757 = t89*t91 | ^ Warning: ‘t89’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1270:92: 1270 | REAL(KIND=dp) :: t865, t866, t869, t870, t873, t874, t875, t878, t881, t884, t887, t89, & | ^ note: ‘t89’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1666:64: 1666 | *t583*t548)*t86)*t91 | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1269:59: 1269 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 | ^ note: ‘t86’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2165:60: 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 | ^ Warning: ‘t834’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1269:19: 1269 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 | ^ note: ‘t834’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t833’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1269:13: 1269 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 | ^ note: ‘t833’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2243:80: 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 | ^ Warning: ‘t832’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:97: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t832’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2099:37: 2099 | + t842 - t1609 | ^ Warning: ‘t831’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:91: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t831’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2165:60: 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 | ^ Warning: ‘t830’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:85: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t830’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t829’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:79: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t829’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2243:80: 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 | ^ Warning: ‘t828’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:73: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t828’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2099:37: 2099 | + t842 - t1609 | ^ Warning: ‘t827’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:67: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t827’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2165:60: 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 | ^ Warning: ‘t826’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:61: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t826’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t825’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:55: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t825’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t824’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:49: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t824’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2099:37: 2099 | + t842 - t1609 | ^ Warning: ‘t823’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:43: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t823’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2215:50: 2215 | - t820 + t486 + t603 - t822 | ^ Warning: ‘t822’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:37: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t822’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t821’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:31: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t821’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2215:50: 2215 | - t820 + t486 + t603 - t822 | ^ Warning: ‘t820’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:25: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t820’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t819’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:19: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t819’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2099:37: 2099 | + t842 - t1609 | ^ Warning: ‘t818’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1268:13: 1268 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ note: ‘t818’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2215:50: 2215 | - t820 + t486 + t603 - t822 | ^ Warning: ‘t817’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:94: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t817’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t816’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:88: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t816’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t815’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:82: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t815’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2175:32: 2175 | t1832 = t814*t254 | ^ Warning: ‘t814’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:76: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t814’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2099:37: 2099 | + t842 - t1609 | ^ Warning: ‘t813’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:70: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t813’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t812’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:64: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t812’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2177:32: 2177 | t1838 = t811*t202 | ^ Warning: ‘t811’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:58: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t811’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2193:32: 2193 | t1891 = t808*t254 | ^ Warning: ‘t808’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:52: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t808’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2181:32: 2181 | t1850 = t806*t254 | ^ Warning: ‘t806’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:46: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t806’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2189:32: 2189 | t1870 = t804*t254 | ^ Warning: ‘t804’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:40: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t804’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2194:32: 2194 | t1893 = t803*t305 | ^ Warning: ‘t803’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:34: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t803’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2183:32: 2183 | t1858 = t802*t142 | ^ Warning: ‘t802’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:28: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t802’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1448:30: 1448 | t245 = t80*t225 | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:22: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t80’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1924:47: 1924 | t1099 = t8**(-0.1666666667e1_dp) | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:17: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t8’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2225:34: 2225 | *t136*t1986 | ^ Warning: ‘t799’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1267:13: 1267 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ note: ‘t799’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2225:34: 2225 | *t136*t1986 | ^ Warning: ‘t796’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:97: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t796’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2243:80: 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 | ^ Warning: ‘t793’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:91: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t793’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2219:33: 2219 | t1975 = t1697*t789 | ^ Warning: ‘t789’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:85: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t789’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t784’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:73: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t784’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2176:32: 2176 | t1836 = t732*t783 | ^ Warning: ‘t783’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:67: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t783’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t782’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:61: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t782’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2154:38: 2154 | t1783 = 0.160e2_dp*t780 | ^ Warning: ‘t780’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:55: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t780’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2212:29: 2212 | *t1776 | ^ Warning: ‘t779’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:49: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t779’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2212:29: 2212 | *t1776 | ^ Warning: ‘t778’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:43: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t778’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2212:29: 2212 | *t1776 | ^ Warning: ‘t777’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:37: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t777’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2155:39: 2155 | t1785 = 0.2400e2_dp*t774 | ^ Warning: ‘t774’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:31: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t774’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2202:58: 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 | ^ Warning: ‘t773’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:25: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t773’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2202:58: 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 | ^ Warning: ‘t772’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:19: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t772’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2152:64: 2152 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 | ^ Warning: ‘t771’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1266:13: 1266 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & | ^ note: ‘t771’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2156:37: 2156 | t1786 = 0.80e1_dp*t769 | ^ Warning: ‘t769’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:91: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t769’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2100:37: 2100 | t1611 = 0.80e1_dp*t767 | ^ Warning: ‘t767’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:85: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t767’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2092:36: 2092 | t1603 = 0.2e1_dp*t766 | ^ Warning: ‘t766’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:79: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t766’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t764’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:73: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t764’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t762’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:61: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t762’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2096:38: 2096 | t1609 = 0.160e2_dp*t759 | ^ Warning: ‘t759’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:55: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t759’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2202:58: 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 | ^ Warning: ‘t758’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:49: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t758’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2188:64: 2188 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 | ^ Warning: ‘t757’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:43: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t757’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2138:52: 2138 | t1730 = 0.160e2_dp*t755*t756*t252*t91 | ^ Warning: ‘t756’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:37: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t756’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2188:64: 2188 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 | ^ Warning: ‘t755’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:31: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t755’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2091:39: 2091 | t1602 = 0.2400e2_dp*t753 | ^ Warning: ‘t753’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:25: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t753’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2212:29: 2212 | *t1776 | ^ Warning: ‘t752’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:19: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t752’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2146:49: 2146 | t1768 = 0.2400e2_dp*t750*t253*t751 | ^ Warning: ‘t751’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1265:13: 1265 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & | ^ note: ‘t751’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2202:58: 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 | ^ Warning: ‘t750’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:94: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t750’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1444:30: 1444 | t239 = t75*t212 | ^ Warning: ‘t75’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:88: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t75’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2095:37: 2095 | t1606 = 0.80e1_dp*t748 | ^ Warning: ‘t748’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:83: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t748’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2093:37: 2093 | t1604 = 0.80e1_dp*t746 | ^ Warning: ‘t746’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:77: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t746’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2094:36: 2094 | t1605 = 0.2e1_dp*t745 | ^ Warning: ‘t745’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:71: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t745’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2143:41: 2143 | t1754 = 0.2e1_dp*t744*t254 | ^ Warning: ‘t744’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:65: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t744’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2249:111: 2249 | t2048)*t2)*sc | ^ Warning: ‘t743’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:59: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t743’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2153:36: 2153 | t1782 = 0.2e1_dp*t742 | ^ Warning: ‘t742’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:53: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t742’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2144:41: 2144 | t1764 = 0.2e1_dp*t741*t202 | ^ Warning: ‘t741’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:47: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t741’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2032:40: 2032 | t1469 = t74**(-0.40e1_dp) | ^ Warning: ‘t74’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:41: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t74’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2207:29: 2207 | *t1094 | ^ Warning: ‘t735’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:36: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t735’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2103:42: 2103 | t1620 = 0.80e1_dp*t733*t254 | ^ Warning: ‘t733’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:30: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t733’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2243:80: 2243 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 | ^ Warning: ‘t732’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:24: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t732’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2118:42: 2118 | t1666 = 0.80e1_dp*t730*t254 | ^ Warning: ‘t730’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:18: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t730’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1666:64: 1666 | *t583*t548)*t86)*t91 | ^ Warning: ‘t73’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1264:12: 1264 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^ note: ‘t73’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2147:41: 2147 | t1775 = 0.2e1_dp*t729*t305 | ^ Warning: ‘t729’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1263:93: 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & | ^ note: ‘t729’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2120:32: 2120 | t1671 = t728*t142 | ^ Warning: ‘t728’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1263:87: 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & | ^ note: ‘t728’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2173:33: 2173 | *t725*t371 | ^ Warning: ‘t725’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1263:81: 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & | ^ note: ‘t725’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2173:33: 2173 | *t725*t371 | ^ Warning: ‘t722’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1263:75: 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & | ^ note: ‘t722’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2173:33: 2173 | *t725*t371 | ^ Warning: ‘t719’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1263:69: 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & | ^ note: ‘t719’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2173:33: 2173 | *t725*t371 | ^ Warning: ‘t716’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1263:63: 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & | ^ note: ‘t716’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1841:35: 1841 | t857 = 0.3e1_dp*t705 | ^ Warning: ‘t705’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1263:33: 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & | ^ note: ‘t705’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2129:32: 2129 | t1696 = t316*t704 | ^ Warning: ‘t704’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1263:27: 1263 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & | ^ note: ‘t704’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t697’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1262:66: 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ note: ‘t697’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t696’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1262:60: 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ note: ‘t696’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t691’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1262:54: 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ note: ‘t691’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t688’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1262:48: 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ note: ‘t688’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t687’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1262:42: 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ note: ‘t687’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t683’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1262:36: 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ note: ‘t683’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t682’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1262:30: 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ note: ‘t682’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t681’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1262:24: 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ note: ‘t681’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t679’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1262:13: 1262 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^ note: ‘t679’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t678’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:96: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t678’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1971:47: 1971 | *t674*t1171 - t291*t1181 | ^ Warning: ‘t674’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:90: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t674’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1971:47: 1971 | *t674*t1171 - t291*t1181 | ^ Warning: ‘t667’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:84: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t667’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1971:47: 1971 | *t674*t1171 - t291*t1181 | ^ Warning: ‘t666’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:78: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t666’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1960:32: 1960 | t1238 = t874*t661 | ^ Warning: ‘t661’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:66: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t661’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1964:43: 1964 | t1252 = t865/t659/t282*t1250 | ^ Warning: ‘t659’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:60: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t659’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t658’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:54: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t658’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t657’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:48: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t657’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1961:30: 1961 | t1244 = t654**2 | ^ Warning: ‘t654’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:36: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t654’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1639:39: 1639 | t542 = 0.1e1_dp/t540/t65 | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:24: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t65’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t648’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1261:19: 1261 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & | ^ note: ‘t648’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t644’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:96: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t644’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t643’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:90: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t643’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t636’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:73: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t636’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t635’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:67: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t635’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t634’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:61: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t634’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t631’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:55: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t631’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t630’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:49: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t630’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t627’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:43: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t627’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1953:63: 1953 | *t622*t874 - 0.9531842928e0_dp*t266*t887 | ^ Warning: ‘t622’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:37: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t622’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1950:32: 1950 | t1168 = t619*t269 | ^ Warning: ‘t619’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:31: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t619’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t618’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:25: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t618’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t617’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:19: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t617’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t611’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1260:13: 1260 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^ note: ‘t611’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t610’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:93: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t610’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1426:30: 1426 | t208 = t149*t61 | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:87: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t61’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1944:32: 1944 | t1151 = t607*t874 | ^ Warning: ‘t607’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:76: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t607’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2159:79: 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 | ^ Warning: ‘t606’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:70: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t606’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2089:105: 2089 | t1599)*t2)*sc | ^ Warning: ‘t605’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:64: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t605’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2137:80: 2137 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 | ^ Warning: ‘t604’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:58: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t604’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2215:50: 2215 | - t820 + t486 + t603 - t822 | ^ Warning: ‘t603’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:52: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t603’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2159:79: 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 | ^ Warning: ‘t602’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:46: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t602’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2102:42: 2102 | t1615 = 0.80e1_dp*t732*t601 | ^ Warning: ‘t601’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:40: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t601’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2159:79: 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 | ^ Warning: ‘t600’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:34: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t600’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1451:70: 1451 | t73*(t243*t60 + 0.3177280975e0_dp*t246*t232)*t86 | ^ Warning: ‘t60’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:28: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t60’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2089:105: 2089 | t1599)*t2)*sc | ^ Warning: ‘t599’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:19: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t599’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2137:80: 2137 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 | ^ Warning: ‘t598’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1259:13: 1259 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: ‘t598’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2215:50: 2215 | - t820 + t486 + t603 - t822 | ^ Warning: ‘t597’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:96: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t597’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2159:79: 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 | ^ Warning: ‘t596’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:90: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t596’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2159:79: 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 | ^ Warning: ‘t595’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:84: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t595’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2089:105: 2089 | t1599)*t2)*sc | ^ Warning: ‘t594’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:78: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t594’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2159:79: 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 | ^ Warning: ‘t593’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:72: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t593’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1840:35: 1840 | t851 = 0.3e1_dp*t592 | ^ Warning: ‘t592’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:66: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t592’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2148:32: 2148 | t1776 = t317*t591 | ^ Warning: ‘t591’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:60: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t591’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t583’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:54: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t583’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t582’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:48: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t582’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t577’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:42: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t577’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t574’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:36: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t574’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t573’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:30: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t573’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1454:30: 1454 | t255 = t57*t254 | ^ Warning: ‘t57’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:24: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t57’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t569’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:19: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t569’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t568’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1258:13: 1258 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & | ^ note: ‘t568’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t567’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:95: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t567’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t565’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:89: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t565’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t564’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:83: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t564’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2031:47: 2031 | *t560*t1394 - t239*t1404 | ^ Warning: ‘t560’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:77: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t560’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1422:30: 1422 | t204 = t140*t56 | ^ Warning: ‘t56’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:71: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t56’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2031:47: 2031 | *t560*t1394 - t239*t1404 | ^ Warning: ‘t553’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:66: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t553’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2031:47: 2031 | *t560*t1394 - t239*t1404 | ^ Warning: ‘t552’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:60: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t552’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1508:56: 1508 | t55 + t93 + t127)*sc | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:54: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t55’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2039:32: 2039 | t1510 = t874*t547 | ^ Warning: ‘t547’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:43: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t547’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2043:43: 2043 | t1524 = t865/t545/t230*t1522 | ^ Warning: ‘t545’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:37: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t545’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t544’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:31: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t544’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t543’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:25: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t543’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2040:30: 2040 | t1516 = t540**2 | ^ Warning: ‘t540’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1257:13: 1257 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^ note: ‘t540’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1386:30: 1386 | t148 = t147*t54 | ^ Warning: ‘t54’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1256:92: 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & | ^ note: ‘t54’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t534’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1256:81: 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & | ^ note: ‘t534’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t530’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1256:69: 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & | ^ note: ‘t530’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t529’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1256:63: 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & | ^ note: ‘t529’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t522’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1256:51: 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & | ^ note: ‘t522’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t521’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1256:45: 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & | ^ note: ‘t521’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t520’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1256:39: 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & | ^ note: ‘t520’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t517’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1256:33: 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & | ^ note: ‘t517’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t516’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1256:27: 1256 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & | ^ note: ‘t516’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t513’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1255:70: 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ note: ‘t513’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1601:54: 1601 | t473*t435)*t51 | ^ Warning: ‘t51’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1255:64: 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ note: ‘t51’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2024:63: 2024 | *t508*t874 - 0.9531842928e0_dp*t214*t887 | ^ Warning: ‘t508’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1255:59: 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ note: ‘t508’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2021:32: 2021 | t1391 = t505*t217 | ^ Warning: ‘t505’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1255:53: 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ note: ‘t505’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t504’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1255:47: 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ note: ‘t504’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t503’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1255:41: 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ note: ‘t503’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1920:47: 1920 | t1088 = t5**(-0.1666666667e1_dp) | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1255:35: 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ note: ‘t5’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t497’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1255:31: 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ note: ‘t497’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t496’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1255:25: 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ note: ‘t496’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2015:32: 2015 | t1374 = t493*t874 | ^ Warning: ‘t493’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1255:13: 1255 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^ note: ‘t493’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2165:60: 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 | ^ Warning: ‘t492’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:96: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t492’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2099:37: 2099 | + t842 - t1609 | ^ Warning: ‘t491’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:90: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t491’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2099:37: 2099 | + t842 - t1609 | ^ Warning: ‘t490’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:84: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t490’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2089:105: 2089 | t1599)*t2)*sc | ^ Warning: ‘t489’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:73: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t489’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2099:37: 2099 | + t842 - t1609 | ^ Warning: ‘t488’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:67: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t488’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2089:105: 2089 | t1599)*t2)*sc | ^ Warning: ‘t487’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:61: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t487’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2215:50: 2215 | - t820 + t486 + t603 - t822 | ^ Warning: ‘t486’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:55: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t486’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2159:79: 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 | ^ Warning: ‘t485’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:49: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t485’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2159:79: 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 | ^ Warning: ‘t484’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:43: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t484’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2089:105: 2089 | t1599)*t2)*sc | ^ Warning: ‘t483’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:37: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t483’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2159:79: 2159 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 | ^ Warning: ‘t482’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:31: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t482’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2072:32: 2072 | t1576 = t481*t254 | ^ Warning: ‘t481’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:25: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t481’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1839:35: 1839 | t842 = 0.3e1_dp*t480 | ^ Warning: ‘t480’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:19: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t480’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2145:32: 2145 | t1765 = t320*t479 | ^ Warning: ‘t479’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1254:13: 1254 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & | ^ note: ‘t479’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t473’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:96: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t473’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t472’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:90: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t472’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t467’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:84: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t467’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t464’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:78: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t464’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t463’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:72: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t463’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t459’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:66: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t459’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t458’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:60: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t458’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t457’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:54: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t457’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t455’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:48: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t455’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t454’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:42: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t454’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1876:39: 1876 | *t896 - t189*t914 | ^ Warning: ‘t450’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:36: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t450’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1417:30: 1417 | t195 = t45*t173 | ^ Warning: ‘t45’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:30: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t45’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t447’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:25: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t447’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t444’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:19: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t444’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1868:31: 1868 | t945 = t443*t873 | ^ Warning: ‘t443’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1253:13: 1253 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & | ^ note: ‘t443’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1876:39: 1876 | *t896 - t189*t914 | ^ Warning: ‘t440’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1252:96: 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ note: ‘t440’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1876:39: 1876 | *t896 - t189*t914 | ^ Warning: ‘t439’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1252:90: 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ note: ‘t439’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1885:32: 1885 | t1013 = t874*t434 | ^ Warning: ‘t434’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1252:78: 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ note: ‘t434’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1889:43: 1889 | t1027 = t865/t432/t178*t1025 | ^ Warning: ‘t432’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1252:72: 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ note: ‘t432’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t431’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1252:66: 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ note: ‘t431’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t430’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1252:60: 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ note: ‘t430’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1886:30: 1886 | t1019 = t427**2 | ^ Warning: ‘t427’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1252:48: 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ note: ‘t427’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t421’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1252:36: 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ note: ‘t421’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t417’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1252:19: 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ note: ‘t417’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t416’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1252:13: 1252 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & | ^ note: ‘t416’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t409’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:87: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t409’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t408’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:81: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t408’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t407’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:75: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t407’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t406’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:69: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t406’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t403’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:63: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t403’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t402’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:57: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t402’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1413:30: 1413 | t189 = t40*t155 | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:51: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t40’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1525:35: 1525 | t355 = t4**0.20e1_dp | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:46: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t4’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t399’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:42: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t399’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1865:62: 1865 | *t394*t874 - 0.9531842928e0_dp*t161*t887 | ^ Warning: ‘t394’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:36: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t394’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2031:47: 2031 | *t560*t1394 - t239*t1404 | ^ Warning: ‘t393’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:30: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t393’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1877:39: 1877 | t972 = t39**(-0.40e1_dp) | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1251:12: 1251 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & | ^ note: ‘t39’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t389’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:95: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t389’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1861:49: 1861 | t903 = 0.1211413728e1_dp*t388*t873 | ^ Warning: ‘t388’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:89: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t388’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1858:31: 1858 | t893 = t385*t164 | ^ Warning: ‘t385’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:83: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t385’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t384’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:77: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t384’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t383’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:71: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t383’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2017:32: 2017 | t1380 = t379*t217 | ^ Warning: ‘t379’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:60: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t379’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t376’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:54: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t376’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t375’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:48: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t375’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2013:32: 2013 | t1371 = t372*t217 | ^ Warning: ‘t372’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:36: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t372’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2212:29: 2212 | *t1776 | ^ Warning: ‘t371’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:30: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t371’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1844:40: 1844 | t864 = 0.1e1_dp/t370/t130 | ^ Warning: ‘t370’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:24: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t370’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1601:54: 1601 | t473*t435)*t51 | ^ Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1250:18: 1250 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & | ^ note: ‘t37’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1851:31: 1851 | t875 = t367*t874 | ^ Warning: ‘t367’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:87: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t367’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2014:38: 2014 | t1372 = t366*t212*t1371 | ^ Warning: ‘t366’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:81: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t366’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2165:60: 2165 | *t743 - 0.160e2_dp*t764 - t492 + t365 | ^ Warning: ‘t365’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:75: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t365’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2099:37: 2099 | + t842 - t1609 | ^ Warning: ‘t364’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:69: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t364’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2099:37: 2099 | + t842 - t1609 | ^ Warning: ‘t363’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:63: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t363’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2009:32: 2009 | t1361 = t362*t202 | ^ Warning: ‘t362’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:57: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t362’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2075:32: 2075 | t1582 = t359*t254 | ^ Warning: ‘t359’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:51: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t359’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2073:32: 2073 | t1578 = t357*t254 | ^ Warning: ‘t357’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:45: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t357’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2142:75: 2142 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 | ^ Warning: ‘t356’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:39: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t356’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2130:32: 2130 | t1697 = t315*t355 | ^ Warning: ‘t355’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:33: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t355’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2010:32: 2010 | t1363 = t353*t254 | ^ Warning: ‘t353’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1249:27: 1249 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & | ^ note: ‘t353’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2202:58: 2202 | *t1897*t92 - 0.1200e2_dp*t750*t1901 | ^ Warning: ‘t352’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1248:72: 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ note: ‘t352’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1939:32: 1939 | t1137 = t351*t305 | ^ Warning: ‘t351’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1248:66: 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ note: ‘t351’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1930:32: 1930 | t1110 = t350*t142 | ^ Warning: ‘t350’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1248:60: 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ note: ‘t350’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2111:34: 2111 | *t136*t1639 | ^ Warning: ‘t347’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1248:54: 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ note: ‘t347’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1928:28: 1928 | t1096 | ^ Warning: ‘t344’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1248:48: 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ note: ‘t344’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2225:34: 2225 | *t136*t1986 | ^ Warning: ‘t343’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1248:42: 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ note: ‘t343’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2152:64: 2152 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 | ^ Warning: ‘t340’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1248:36: 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ note: ‘t340’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2207:29: 2207 | *t1094 | ^ Warning: ‘t338’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1248:25: 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ note: ‘t338’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2188:64: 2188 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 | ^ Warning: ‘t337’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1248:19: 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ note: ‘t337’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2142:75: 2142 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 | ^ Warning: ‘t333’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1248:13: 1248 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 | ^ note: ‘t333’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2225:34: 2225 | *t136*t1986 | ^ Warning: ‘t332’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:96: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t332’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1795:90: 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc | ^ Warning: ‘t329’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:90: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t329’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1835:88: 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc | ^ Warning: ‘t328’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:84: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t328’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1821:31: 1821 | t825 = t732*t327 | ^ Warning: ‘t327’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:78: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t327’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1835:88: 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc | ^ Warning: ‘t326’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:72: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t326’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1795:90: 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc | ^ Warning: ‘t325’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:66: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t325’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1835:88: 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc | ^ Warning: ‘t324’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:60: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t324’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1835:88: 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc | ^ Warning: ‘t323’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:54: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t323’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2101:32: 2101 | t1613 = t322*t591 | ^ Warning: ‘t322’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:48: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t322’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1835:88: 1835 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc | ^ Warning: ‘t321’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:42: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t321’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2145:32: 2145 | t1765 = t320*t479 | ^ Warning: ‘t320’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:36: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t320’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2148:32: 2148 | t1776 = t317*t591 | ^ Warning: ‘t317’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:25: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t317’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2129:32: 2129 | t1696 = t316*t704 | ^ Warning: ‘t316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:19: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t316’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2130:32: 2130 | t1697 = t315*t355 | ^ Warning: ‘t315’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1247:13: 1247 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & | ^ note: ‘t315’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2225:34: 2225 | *t136*t1986 | ^ Warning: ‘t312’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:94: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t312’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1751:31: 1751 | t730 = t352*t309 | ^ Warning: ‘t309’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:88: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t309’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1739:35: 1739 | t715 = 0.2e1_dp*t306 | ^ Warning: ‘t306’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:82: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t306’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2147:41: 2147 | t1775 = 0.2e1_dp*t729*t305 | ^ Warning: ‘t305’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:76: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t305’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2123:54: 2123 | t1690 = 0.2400e2_dp*t771*t304*t133*t309 | ^ Warning: ‘t304’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:70: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t304’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1491:32: 1491 | t309 = -t3 - t132 | ^ Warning: ‘t3’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:64: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t3’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t298’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:60: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t298’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1724:31: 1724 | t691 = t297*t393 | ^ Warning: ‘t297’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:54: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t297’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1983:71: 1983 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 | ^ Warning: ‘t295’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:48: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t295’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1718:31: 1718 | t679 = t678*t294 | ^ Warning: ‘t294’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:42: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t294’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1720:31: 1720 | t682 = t293*t681 | ^ Warning: ‘t293’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:36: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t293’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1717:43: 1717 | t674*t619 - t291*t627 | ^ Warning: ‘t291’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:30: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t291’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1571:39: 1571 | t429 = 0.1e1_dp/t427/t29 | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:24: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t29’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1971:47: 1971 | *t674*t1171 - t291*t1181 | ^ Warning: ‘t288’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:19: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t288’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1971:47: 1971 | *t674*t1171 - t291*t1181 | ^ Warning: ‘t287’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1246:13: 1246 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & | ^ note: ‘t287’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1704:31: 1704 | t651 = t379*t283 | ^ Warning: ‘t283’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:89: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t283’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1964:43: 1964 | t1252 = t865/t659/t282*t1250 | ^ Warning: ‘t282’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:83: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t282’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1963:30: 1963 | t1250 = t280**2 | ^ Warning: ‘t280’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:77: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t280’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t279’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:66: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t279’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1703:31: 1703 | t648 = t278*t393 | ^ Warning: ‘t278’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:60: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t278’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1957:41: 1957 | t1218 = 0.1e1_dp/t654/t276 | ^ Warning: ‘t276’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:48: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t276’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t273’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:42: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t273’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1696:31: 1696 | t634 = t272*t406 | ^ Warning: ‘t272’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:36: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t272’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1733:62: 1733 | *t697*t662)*t122) | ^ Warning: ‘t269’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:25: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t269’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1953:63: 1953 | *t622*t874 - 0.9531842928e0_dp*t266*t887 | ^ Warning: ‘t266’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:19: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t266’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t265’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1245:13: 1245 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & | ^ note: ‘t265’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1943:38: 1943 | t1149 = t366*t264*t1148 | ^ Warning: ‘t264’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:97: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t264’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1948:30: 1948 | t1165 = t263**2 | ^ Warning: ‘t263’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:91: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t263’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1999:61: 1999 | *bf*t1245*t984*t1252 - t109*t1341*t122 | ^ Warning: ‘t260’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:85: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t260’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1795:90: 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc | ^ Warning: ‘t259’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:79: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t259’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1742:88: 1742 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc | ^ Warning: ‘t258’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:73: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t258’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1669:31: 1669 | t594 = t352*t257 | ^ Warning: ‘t257’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:67: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t257’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1795:90: 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc | ^ Warning: ‘t256’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:61: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t256’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1738:35: 1738 | t712 = 0.2e1_dp*t255 | ^ Warning: ‘t255’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:55: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t255’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1613:31: 1613 | t491 = t144*t254 | ^ Warning: ‘t254’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:49: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t254’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2146:49: 2146 | t1768 = 0.2400e2_dp*t750*t253*t751 | ^ Warning: ‘t253’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:43: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t253’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2138:52: 2138 | t1730 = 0.160e2_dp*t755*t756*t252*t91 | ^ Warning: ‘t252’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:37: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t252’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t246’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:31: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t246’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1657:31: 1657 | t577 = t245*t393 | ^ Warning: ‘t245’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:25: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t245’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2054:69: 2054 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 | ^ Warning: ‘t243’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:19: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t243’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1651:31: 1651 | t565 = t564*t242 | ^ Warning: ‘t242’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1244:13: 1244 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & | ^ note: ‘t242’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1653:31: 1653 | t568 = t241*t567 | ^ Warning: ‘t241’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:95: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t241’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1388:30: 1388 | t150 = t149*t24 | ^ Warning: ‘t24’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:89: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t24’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1650:43: 1650 | t560*t505 - t239*t513 | ^ Warning: ‘t239’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:84: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t239’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2031:47: 2031 | *t560*t1394 - t239*t1404 | ^ Warning: ‘t236’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:78: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t236’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1637:31: 1637 | t537 = t379*t231 | ^ Warning: ‘t231’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:60: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t231’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2043:43: 2043 | t1524 = t865/t545/t230*t1522 | ^ Warning: ‘t230’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:54: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t230’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1420:70: 1420 | t37*(t193*t23 + 0.3177280975e0_dp*t196*t180)*t51 | ^ Warning: ‘t23’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:48: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t23’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2042:30: 2042 | t1522 = t228**2 | ^ Warning: ‘t228’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:43: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t228’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t227’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:37: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t227’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1636:31: 1636 | t534 = t226*t393 | ^ Warning: ‘t226’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:31: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t226’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2036:41: 2036 | t1490 = 0.1e1_dp/t540/t224 | ^ Warning: ‘t224’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:19: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t224’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t221’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1243:13: 1243 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & | ^ note: ‘t221’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1629:31: 1629 | t520 = t220*t406 | ^ Warning: ‘t220’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:94: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t220’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1666:64: 1666 | *t583*t548)*t86)*t91 | ^ Warning: ‘t217’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:88: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t217’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2024:63: 2024 | *t508*t874 - 0.9531842928e0_dp*t214*t887 | ^ Warning: ‘t214’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:82: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t214’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:76: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t213’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2014:38: 2014 | t1372 = t366*t212*t1371 | ^ Warning: ‘t212’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:70: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t212’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2019:30: 2019 | t1388 = t211**2 | ^ Warning: ‘t211’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:64: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t211’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2070:73: 2070 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 | ^ Warning: ‘t208’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:58: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t208’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1795:90: 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc | ^ Warning: ‘t207’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:52: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t207’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1742:88: 1742 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc | ^ Warning: ‘t206’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:46: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t206’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1795:90: 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc | ^ Warning: ‘t205’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:40: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t205’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2074:32: 2074 | t1580 = t204*t591 | ^ Warning: ‘t204’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1242:27: 1242 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & | ^ note: ‘t204’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1737:35: 1737 | t709 = 0.2e1_dp*t203 | ^ Warning: ‘t203’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1241:77: 1241 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 | ^ note: ‘t203’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2144:41: 2144 | t1764 = 0.2e1_dp*t741*t202 | ^ Warning: ‘t202’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1241:64: 1241 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 | ^ note: ‘t202’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1508:56: 1508 | t55 + t93 + t127)*sc | ^ Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1241:25: 1241 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 | ^ note: ‘t2’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t196’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1240:72: 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & | ^ note: ‘t196’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1592:31: 1592 | t467 = t195*t393 | ^ Warning: ‘t195’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1240:66: 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & | ^ note: ‘t195’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1900:44: 1900 | *t45*t1020*t984*t1027 | ^ Warning: ‘t193’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1240:39: 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & | ^ note: ‘t193’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1586:31: 1586 | t455 = t454*t192 | ^ Warning: ‘t192’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1240:33: 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & | ^ note: ‘t192’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1588:31: 1588 | t458 = t191*t457 | ^ Warning: ‘t191’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1240:27: 1240 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & | ^ note: ‘t191’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1585:43: 1585 | t450*t385 - t189*t399 | ^ Warning: ‘t189’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1239:61: 1239 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & | ^ note: ‘t189’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1733:62: 1733 | *t697*t662)*t122) | ^ Warning: ‘t186’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1239:20: 1239 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & | ^ note: ‘t186’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1581:31: 1581 | t447 = t185*t337 | ^ Warning: ‘t185’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1238:80: 1238 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & | ^ note: ‘t185’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1876:39: 1876 | *t896 - t189*t914 | ^ Warning: ‘t184’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1238:74: 1238 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & | ^ note: ‘t184’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1392:30: 1392 | t156 = t18*t155 | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1237:94: 1237 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & | ^ note: ‘t18’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1569:31: 1569 | t424 = t379*t179 | ^ Warning: ‘t179’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1237:75: 1237 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & | ^ note: ‘t179’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1889:43: 1889 | t1027 = t865/t432/t178*t1025 | ^ Warning: ‘t178’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1237:34: 1237 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & | ^ note: ‘t178’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1888:30: 1888 | t1025 = t176**2 | ^ Warning: ‘t176’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1236:72: 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & | ^ note: ‘t176’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t175’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1236:52: 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & | ^ note: ‘t175’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1568:31: 1568 | t421 = t174*t393 | ^ Warning: ‘t174’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1236:46: 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & | ^ note: ‘t174’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1882:40: 1882 | t993 = 0.1e1_dp/t427/t172 | ^ Warning: ‘t172’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1236:20: 1236 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & | ^ note: ‘t172’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1901:48: 1901 | t1043 = t17**(-0.2333333333e1_dp) | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1235:94: 1235 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & | ^ note: ‘t17’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t169’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1235:54: 1235 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & | ^ note: ‘t169’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1559:31: 1559 | t403 = t402*t168 | ^ Warning: ‘t168’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1235:48: 1235 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & | ^ note: ‘t168’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1561:31: 1561 | t407 = t167*t406 | ^ Warning: ‘t167’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1234:75: 1234 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 | ^ note: ‘t167’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1601:54: 1601 | t473*t435)*t51 | ^ Warning: ‘t164’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1234:20: 1234 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 | ^ note: ‘t164’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1865:62: 1865 | *t394*t874 - 0.9531842928e0_dp*t161*t887 | ^ Warning: ‘t161’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1233:48: 1233 | t1603, t1604, t1605, t1606, t1609, t161, t1610, t1611, t1613, t1615, t1620, t1622, t1626, & | ^ note: ‘t161’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1578:31: 1578 | t440 = t439*t160 | ^ Warning: ‘t160’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1232:87: 1232 | t1570, t1576, t1578, t1580, t1582, t1588, t159, t1590, t1593, t1599, t16, t160, t1602, & | ^ note: ‘t160’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1862:49: 1862 | t905 = 0.1817120592e1_dp*t157*t371 | ^ Warning: ‘t157’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1231:93: 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & | ^ note: ‘t157’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1231:80: 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & | ^ note: ‘t156’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1848:36: 1848 | t870 = t366*t155*t869 | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1231:74: 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & | ^ note: ‘t155’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1856:29: 1856 | t890 = t154**2 | ^ Warning: ‘t154’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1231:68: 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & | ^ note: ‘t154’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2018:32: 2018 | t1383 = t151*t513 | ^ Warning: ‘t151’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1231:20: 1231 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & | ^ note: ‘t151’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t150’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1230:91: 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & | ^ note: ‘t150’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1421:30: 1421 | t203 = t15*t202 | ^ Warning: ‘t15’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1230:85: 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & | ^ note: ‘t15’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1917:43: 1917 | *bp*t1020*t984*t1027 | ^ Warning: ‘t149’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1230:66: 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & | ^ note: ‘t149’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1795:90: 1795 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc | ^ Warning: ‘t148’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1230:46: 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & | ^ note: ‘t148’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1919:32: 1919 | t1086 = t147*t479 | ^ Warning: ‘t147’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1230:33: 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & | ^ note: ‘t147’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1613:31: 1613 | t491 = t144*t254 | ^ Warning: ‘t144’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1230:13: 1230 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & | ^ note: ‘t144’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1528:31: 1528 | t359 = t143*t340 | ^ Warning: ‘t143’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1229:94: 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & | ^ note: ‘t143’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2183:32: 2183 | t1858 = t802*t142 | ^ Warning: ‘t142’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1229:88: 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & | ^ note: ‘t142’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2077:32: 2077 | t1590 = t141*t704 | ^ Warning: ‘t141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1229:82: 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & | ^ note: ‘t141’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1932:32: 1932 | t1113 = t140*t355 | ^ Warning: ‘t140’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1229:69: 1229 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & | ^ note: ‘t140’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1746:31: 1746 | t722 = t343*t137 | ^ Warning: ‘t137’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1228:82: 1228 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & | ^ note: ‘t137’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2173:33: 2173 | *t725*t371 | ^ Warning: ‘t136’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1228:41: 1228 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & | ^ note: ‘t136’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1780:31: 1780 | t772 = t125*t133 | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1227:56: 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 | ^ note: ‘t133’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1698:31: 1698 | t636 = t635*t131 | ^ Warning: ‘t131’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1227:44: 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 | ^ note: ‘t131’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1844:40: 1844 | t864 = 0.1e1_dp/t370/t130 | ^ Warning: ‘t130’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1227:38: 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 | ^ note: ‘t130’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1486:30: 1486 | t306 = t13*t305 | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1227:32: 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 | ^ note: ‘t13’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:2173:33: 2173 | *t725*t371 | ^ Warning: ‘t129’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1227:20: 1227 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 | ^ note: ‘t129’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1508:56: 1508 | t55 + t93 + t127)*sc | ^ Warning: ‘t127’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1226:94: 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & | ^ note: ‘t127’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1456:31: 1456 | t257 = t126*t133 | ^ Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1226:88: 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & | ^ note: ‘t126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1780:31: 1780 | t772 = t125*t133 | ^ Warning: ‘t125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1226:68: 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & | ^ note: ‘t125’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1733:62: 1733 | *t697*t662)*t122) | ^ Warning: ‘t122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1226:27: 1226 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & | ^ note: ‘t122’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1381:30: 1381 | t141 = t140*t12 | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1225:74: 1225 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & | ^ note: ‘t12’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1481:31: 1481 | t297 = t116*t277 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1225:27: 1225 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & | ^ note: ‘t116’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1477:31: 1477 | t291 = t111*t264 | ^ Warning: ‘t111’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1223:72: 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & | ^ note: ‘t111’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1972:41: 1972 | t1299 = t110**(-0.40e1_dp) | ^ Warning: ‘t110’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1223:52: 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & | ^ note: ‘t110’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1526:30: 1526 | t356 = t11*t355 | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1223:46: 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & | ^ note: ‘t11’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1733:62: 1733 | *t697*t662)*t122) | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1223:20: 1223 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & | ^ note: ‘t109’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1706:40: 1706 | t656 = 0.1e1_dp/t654/t101 | ^ Warning: ‘t101’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1221:90: 1221 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & | ^ note: ‘t101’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1376:29: 1376 | t132 = t1*t131 | ^ Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1221:78: 1221 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & | ^ note: ‘t1’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1023:48: 1023 | t540 = 0.1817120592e1_dp*t98*t221 | ^ Warning: ‘t98’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:685:62: 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p | ^ note: ‘t98’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:685:57: 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p | ^ note: ‘t97’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:884:30: 884 | t291 = t124*t96 | ^ Warning: ‘t96’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:685:46: 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p | ^ note: ‘t96’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1017:28: 1017 | t525 = t95**2 | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:685:23: 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p | ^ note: ‘t95’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:924:30: 924 | t357 = t92*t165 | ^ Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:685:12: 685 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p | ^ note: ‘t92’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:870:30: 870 | t261 = t260*t91 | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:684:97: 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & | ^ note: ‘t91’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1005:39: 1005 | t499 = 0.1e1_dp/t220/t90 | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:684:92: 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & | ^ note: ‘t90’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t89’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:684:87: 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & | ^ note: ‘t89’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:923:30: 923 | t356 = t88*t160 | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:684:82: 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & | ^ note: ‘t88’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:836:75: 836 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:684:53: 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & | ^ note: ‘t86’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:799:30: 799 | t155 = t154*t85 | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:684:36: 684 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & | ^ note: ‘t85’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:972:67: 972 | *t443*t408)*t80) - t332 | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:683:44: 683 | REAL(KIND=dp) :: t792, t793, t798, t80, t800, t804, t807, t808, t810, t814, t820, t823, & | ^ note: ‘t80’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:822:30: 822 | t193 = t74*t173 | ^ Warning: ‘t74’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:682:18: 682 | t732, t74, t743, t745, t748, t752, t755, t758, t769, t78 | ^ note: ‘t74’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:818:30: 818 | t187 = t69*t160 | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:681:28: 681 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & | ^ note: ‘t69’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1090:39: 1090 | t769 = t68**(-0.40e1_dp) | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:681:23: 681 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & | ^ note: ‘t68’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:972:67: 972 | *t443*t408)*t80) - t332 | ^ Warning: ‘t67’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:681:18: 681 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & | ^ note: ‘t67’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:945:39: 945 | t402 = 0.1e1_dp/t400/t59 | ^ Warning: ‘t59’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:680:47: 680 | t567, t570, t573, t58, t583, t589, t59, t595, t596, t6, t601, t603, t613, t62, t625, t64, & | ^ note: ‘t59’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:800:29: 800 | t156 = t88*t55 | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:679:77: 679 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & | ^ note: ‘t55’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:826:26: 826 | t144 | ^ Warning: ‘t54’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:679:54: 679 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & | ^ note: ‘t54’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:827:30: 827 | t203 = t51*t202 | ^ Warning: ‘t51’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:678:70: 678 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & | ^ note: ‘t51’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:764:27: 764 | t97 = t5*t96 | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:678:29: 678 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & | ^ note: ‘t5’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1165:106: 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc | ^ Warning: ‘t490’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:95: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t490’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1184:101: 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: ‘t489’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:84: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t489’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1167:32: 1167 | t1019 = t488*t202 | ^ Warning: ‘t488’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:78: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t488’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1184:101: 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: ‘t485’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:72: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t485’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1184:101: 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: ‘t482’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:66: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t482’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1083:47: 1083 | t732 = t48**(-0.1666666667e1_dp) | ^ Warning: ‘t48’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:60: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t48’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1184:101: 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: ‘t479’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:55: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t479’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1184:101: 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: ‘t475’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:49: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t475’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1184:101: 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: ‘t472’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:43: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t472’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1158:35: 1158 | t990 = 0.2e1_dp*t471 | ^ Warning: ‘t471’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:37: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t471’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1156:40: 1156 | t984 = 0.2e1_dp*t470*t202 | ^ Warning: ‘t470’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:31: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t470’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1176:50: 1176 | + t489)*sc | ^ Warning: ‘t467’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:25: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t467’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1176:50: 1176 | + t489)*sc | ^ Warning: ‘t464’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:19: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t464’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1176:50: 1176 | + t489)*sc | ^ Warning: ‘t461’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:677:13: 677 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: ‘t461’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1176:50: 1176 | + t489)*sc | ^ Warning: ‘t458’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:676:91: 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: ‘t458’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1147:35: 1147 | t956 = 0.3e1_dp*t452 | ^ Warning: ‘t452’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:676:73: 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: ‘t452’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1157:31: 1157 | t986 = t212*t451 | ^ Warning: ‘t451’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:676:67: 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: ‘t451’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1080:47: 1080 | t721 = t45**(-0.1666666667e1_dp) | ^ Warning: ‘t45’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:676:61: 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: ‘t45’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t443’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:676:56: 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: ‘t443’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t442’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:676:50: 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: ‘t442’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t437’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:676:39: 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: ‘t437’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t434’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:676:33: 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: ‘t434’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t433’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:676:27: 676 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: ‘t433’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:794:29: 794 | t146 = t43*t91 | ^ Warning: ‘t43’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:675:71: 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: ‘t43’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t429’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:675:66: 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: ‘t429’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t428’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:675:60: 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: ‘t428’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t427’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:675:54: 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: ‘t427’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t425’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:675:48: 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: ‘t425’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t424’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:675:42: 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: ‘t424’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1114:39: 1114 | *t841 - t187*t851 | ^ Warning: ‘t420’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:675:36: 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: ‘t420’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:836:75: 836 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:675:30: 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: ‘t42’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1114:39: 1114 | *t841 - t187*t851 | ^ Warning: ‘t413’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:675:25: 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: ‘t413’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1114:39: 1114 | *t841 - t187*t851 | ^ Warning: ‘t412’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:675:19: 675 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: ‘t412’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1089:31: 1089 | t758 = t509*t407 | ^ Warning: ‘t407’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:95: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t407’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1094:41: 1094 | t800 = t500/t405/t178*t798 | ^ Warning: ‘t405’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:89: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t405’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t404’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:83: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t404’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t403’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:77: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t403’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1116:35: 1116 | t863 = 0.1e1_dp/t400 | ^ Warning: ‘t400’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:65: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t400’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1039:46: 1039 | t613 = t4**(-0.2333333333e1_dp) | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:59: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t4’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t394’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:49: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t394’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t390’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:37: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t390’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t389’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:31: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t389’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t382’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:19: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t382’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t381’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:674:13: 674 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: ‘t381’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t380’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:95: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t380’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:908:60: 908 | *t325*t287)*t38) | ^ Warning: ‘t38’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:89: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t38’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t377’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:84: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t377’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t376’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:78: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t376’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t373’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:72: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t373’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1107:62: 1107 | *t368*t509 - 0.9531842928e0_dp*t162*t522 | ^ Warning: ‘t368’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:66: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t368’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1099:30: 1099 | t814 = t92*t365 | ^ Warning: ‘t365’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:60: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t365’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t364’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:54: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t364’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t363’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:48: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t363’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t357’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:37: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t357’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t356’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:31: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t356’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1098:31: 1098 | t810 = t353*t509 | ^ Warning: ‘t353’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:19: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t353’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1176:50: 1176 | + t489)*sc | ^ Warning: ‘t352’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:673:13: 673 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: ‘t352’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1165:106: 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc | ^ Warning: ‘t351’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:96: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t351’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1165:106: 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc | ^ Warning: ‘t350’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:90: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t350’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1084:31: 1084 | t743 = t349*t202 | ^ Warning: ‘t349’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:84: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t349’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1165:106: 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc | ^ Warning: ‘t346’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:78: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t346’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1153:89: 1153 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc | ^ Warning: ‘t343’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:72: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t343’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1184:101: 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: ‘t342’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:66: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t342’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1165:106: 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc | ^ Warning: ‘t339’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:60: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t339’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1165:106: 1165 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc | ^ Warning: ‘t337’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:54: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t337’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1153:89: 1153 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc | ^ Warning: ‘t334’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:48: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t334’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1184:101: 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: ‘t333’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:42: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t333’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1146:35: 1146 | t953 = 0.3e1_dp*t332 | ^ Warning: ‘t332’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:36: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t332’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t325’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:30: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t325’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t324’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:24: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t324’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:789:30: 789 | t136 = t32*t114 | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:18: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t32’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t319’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:672:13: 672 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: ‘t319’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:94: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t316’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t315’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:88: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t315’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t311’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:82: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t311’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t310’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:76: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t310’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t309’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:70: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t309’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t307’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:64: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t307’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t306’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:58: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t306’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1051:39: 1051 | *t531 - t130*t549 | ^ Warning: ‘t302’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:52: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t302’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:831:32: 831 | t206 = -t3 - t146 | ^ Warning: ‘t3’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:46: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t3’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t299’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:42: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t299’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t296’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:36: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t296’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1043:31: 1043 | t693 = t295*t508 | ^ Warning: ‘t295’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:30: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t295’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1051:39: 1051 | *t531 - t130*t549 | ^ Warning: ‘t292’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:24: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t292’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1051:39: 1051 | *t531 - t130*t549 | ^ Warning: ‘t291’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:671:18: 671 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: ‘t291’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1034:31: 1034 | t589 = t509*t286 | ^ Warning: ‘t286’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:670:90: 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: ‘t286’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1038:41: 1038 | t603 = t500/t284/t119*t601 | ^ Warning: ‘t284’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:670:84: 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: ‘t284’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t283’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:670:78: 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: ‘t283’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t282’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:670:72: 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: ‘t282’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1035:29: 1035 | t595 = t279**2 | ^ Warning: ‘t279’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:670:60: 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: ‘t279’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t273’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:670:48: 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: ‘t273’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:785:29: 785 | t130 = t27*t96 | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:670:36: 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: ‘t27’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t269’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:670:31: 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: ‘t269’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t268’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:670:25: 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: ‘t268’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t261’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:670:13: 670 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: ‘t261’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t260’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:669:97: 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: ‘t260’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1041:39: 1041 | t665 = t26**(-0.40e1_dp) | ^ Warning: ‘t26’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:669:91: 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: ‘t26’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t259’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:669:86: 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: ‘t259’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t258’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:669:80: 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: ‘t258’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t255’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:669:74: 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: ‘t255’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t254’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:669:68: 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: ‘t254’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t251’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:669:62: 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: ‘t251’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1026:62: 1026 | *t246*t509 - 0.9531842928e0_dp*t102*t522 | ^ Warning: ‘t246’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:669:51: 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: ‘t246’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1114:39: 1114 | *t841 - t187*t851 | ^ Warning: ‘t245’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:669:45: 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: ‘t245’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t241’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:669:27: 669 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: ‘t241’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1022:49: 1022 | t538 = 0.1211413728e1_dp*t240*t508 | ^ Warning: ‘t240’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:668:72: 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ note: ‘t240’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:908:60: 908 | *t325*t287)*t38) | ^ Warning: ‘t24’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:668:66: 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ note: ‘t24’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1013:30: 1013 | t513 = t92*t237 | ^ Warning: ‘t237’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:668:61: 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ note: ‘t237’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t236’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:668:55: 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ note: ‘t236’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t235’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:668:49: 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ note: ‘t235’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1100:31: 1100 | t820 = t231*t165 | ^ Warning: ‘t231’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:668:43: 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ note: ‘t231’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1176:50: 1176 | + t489)*sc | ^ Warning: ‘t230’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:668:37: 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ note: ‘t230’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t226’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:668:31: 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ note: ‘t226’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t225’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:668:25: 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ note: ‘t225’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1096:31: 1096 | t807 = t222*t165 | ^ Warning: ‘t222’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:668:13: 668 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 | ^ note: ‘t222’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1176:50: 1176 | + t489)*sc | ^ Warning: ‘t221’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:94: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t221’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1005:39: 1005 | t499 = 0.1e1_dp/t220/t90 | ^ Warning: ‘t220’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:88: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t220’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1012:31: 1012 | t510 = t217*t509 | ^ Warning: ‘t217’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:70: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t217’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1009:35: 1009 | t505 = t216*t96*t504 | ^ Warning: ‘t216’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:64: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t216’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:999:102: 999 | e_bb(ip) = e_bb(ip) + ((t332 + t489 + t490 + t452)*t2 + t455 + 0.2e1_dp*t213 + t457)*sc | ^ Warning: ‘t213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:58: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t213’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1157:31: 1157 | t986 = t212*t451 | ^ Warning: ‘t212’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:52: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t212’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1184:101: 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: ‘t209’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:41: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t209’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1184:101: 1184 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: ‘t206’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:35: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t206’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:975:35: 975 | t457 = 0.2e1_dp*t203 | ^ Warning: ‘t203’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:29: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t203’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1156:40: 1156 | t984 = 0.2e1_dp*t470*t202 | ^ Warning: ‘t202’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:23: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t202’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:836:75: 836 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc | ^ Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:17: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t2’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t194’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:667:13: 667 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & | ^ note: ‘t194’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:963:31: 963 | t437 = t193*t245 | ^ Warning: ‘t193’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:96: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t193’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1128:51: 1128 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: ‘t191’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:90: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t191’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:957:31: 957 | t425 = t424*t190 | ^ Warning: ‘t190’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:84: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t190’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:959:31: 959 | t428 = t189*t427 | ^ Warning: ‘t189’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:73: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t189’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:956:43: 956 | t420*t365 - t187*t373 | ^ Warning: ‘t187’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:67: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t187’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1114:39: 1114 | *t841 - t187*t851 | ^ Warning: ‘t184’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:61: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t184’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:943:31: 943 | t397 = t231*t179 | ^ Warning: ‘t179’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:43: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t179’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1094:41: 1094 | t800 = t500/t405/t178*t798 | ^ Warning: ‘t178’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:37: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t178’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1093:29: 1093 | t798 = t176**2 | ^ Warning: ‘t176’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:31: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t176’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t175’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:25: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t175’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:942:31: 942 | t394 = t174*t245 | ^ Warning: ‘t174’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:666:19: 666 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^ note: ‘t174’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1117:40: 1117 | t872 = 0.1e1_dp/t400/t172 | ^ Warning: ‘t172’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:95: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t172’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t169’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:89: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t169’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:935:31: 935 | t380 = t168*t258 | ^ Warning: ‘t168’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:83: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t168’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:972:67: 972 | *t443*t408)*t80) - t332 | ^ Warning: ‘t165’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:77: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t165’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1107:62: 1107 | *t368*t509 - 0.9531842928e0_dp*t162*t522 | ^ Warning: ‘t162’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:71: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t162’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t161’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:65: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t161’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:923:30: 923 | t356 = t88*t160 | ^ Warning: ‘t160’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:59: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t160’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:878:39: 878 | t281 = 0.1e1_dp/t279/t16 | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:53: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t16’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1102:29: 1102 | t835 = t159**2 | ^ Warning: ‘t159’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:48: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t159’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1144:37: 1144 | *t389*t573*t748 | ^ Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:42: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t156’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:989:48: 989 | + t213)*sc | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:36: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t155’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1085:31: 1085 | t745 = t154*t451 | ^ Warning: ‘t154’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:30: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t154’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:981:31: 981 | t464 = t342*t151 | ^ Warning: ‘t151’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:24: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t151’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:982:30: 982 | t467 = t150*t43 | ^ Warning: ‘t150’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:665:18: 665 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & | ^ note: ‘t150’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:979:31: 979 | t458 = t333*t147 | ^ Warning: ‘t147’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:96: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t147’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:980:30: 980 | t461 = t145*t43 | ^ Warning: ‘t145’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:84: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t145’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:974:35: 974 | t455 = 0.2e1_dp*t144 | ^ Warning: ‘t144’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:78: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t144’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t137’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:67: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t137’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:899:31: 899 | t319 = t136*t245 | ^ Warning: ‘t136’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:61: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t136’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1062:51: 1062 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: ‘t134’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:55: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t134’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:893:31: 893 | t307 = t306*t133 | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:49: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t133’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:895:31: 895 | t310 = t132*t309 | ^ Warning: ‘t132’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:43: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t132’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:892:43: 892 | t302*t237 - t130*t251 | ^ Warning: ‘t130’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:37: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t130’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:972:67: 972 | *t443*t408)*t80) - t332 | ^ Warning: ‘t127’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:31: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t127’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:888:31: 888 | t299 = t126*t230 | ^ Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:25: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1051:39: 1051 | *t531 - t130*t549 | ^ Warning: ‘t125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:664:19: 664 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & | ^ note: ‘t125’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:876:31: 876 | t276 = t231*t120 | ^ Warning: ‘t120’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:91: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t120’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1038:41: 1038 | t603 = t500/t284/t119*t601 | ^ Warning: ‘t119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:85: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t119’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1037:29: 1037 | t601 = t117**2 | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:79: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t117’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:73: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t116’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:875:31: 875 | t273 = t115*t245 | ^ Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:67: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t115’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1028:40: 1028 | t563 = 0.1e1_dp/t279/t113 | ^ Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:55: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t113’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1078:40: 1078 | *bp*t625*t565*t559 | ^ Warning: ‘t110’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:49: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t110’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:758:28: 758 | t89 = t88*t11 | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:43: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t11’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:866:31: 866 | t255 = t254*t109 | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:38: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t109’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:868:31: 868 | t259 = t108*t258 | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:32: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t108’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:908:60: 908 | *t325*t287)*t38) | ^ Warning: ‘t105’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:26: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t105’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:1026:62: 1026 | *t246*t509 - 0.9531842928e0_dp*t102*t522 | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:663:13: 663 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & | ^ note: ‘t102’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:885:31: 885 | t292 = t291*t101 | ^ Warning: ‘t101’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:662:85: 662 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & | ^ note: ‘t101’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:792:82: 792 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38) | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F:662:73: 662 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & | ^ note: ‘t10’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_vwn.mod' due to: xc_vwn.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_vwn.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod xc_input_constants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_perdew_zunger.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod xc_input_constants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F xc_perdew_zunger.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_perdew_zunger.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:714:74: 714 | + trz*r(1)*z(0, 2) + tzz*z(0, 2)*z(1, 0) + tz*z(1, 2) | ^ Warning: ‘tzz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:617:63: 617 | tzz, tzzz | ^ note: ‘tzz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:682:56: 682 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) | ^ Warning: ‘trz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:89: 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘trz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:682:56: 682 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) | ^ Warning: ‘trr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:72: 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘trr’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:675:41: 675 | ed(m + 1) = tr*r(1) + tz*z(0, 1) | ^ Warning: ‘tz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:99: 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘tz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:673:37: 673 | ed(m) = tr*r(1) + tz*z(1, 0) | ^ Warning: ‘tr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:67: 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘tr’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:720:62: 720 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) | ^ Warning: ‘tzzz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:617:69: 617 | tzz, tzzz | ^ note: ‘tzzz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:706:74: 706 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) | ^ Warning: ‘trzz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:95: 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘trzz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:698:58: 698 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) | ^ Warning: ‘trrz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:84: 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘trrz’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:698:58: 698 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) | ^ Warning: ‘trrr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F:616:78: 616 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ note: ‘trrr’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_perdew_zunger.mod' due to: xc_perdew_zunger.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_zunger.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod xc_input_constants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_cs1.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_cs1.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_cs1.F xc_cs1.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_cs1.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_cs1.mod' due to: xc_cs1.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_cs1.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_xbecke88_lr_adiabatic.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:42:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbecke88_lr_adiabatic.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: 4613 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t997’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:30: 3175 | t99, t991, t995, t997, xx | ^ note: ‘t997’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5160:54: 5160 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 | ^ Warning: ‘t995’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:24: 3175 | t99, t991, t995, t997, xx | ^ note: ‘t995’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: 4613 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t991’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:18: 3175 | t99, t991, t995, t997, xx | ^ note: ‘t991’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5031:34: 5031 | *t105*t5118 | ^ Warning: ‘t99’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3175:12: 3175 | t99, t991, t995, t997, xx | ^ note: ‘t99’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: 4613 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t987’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:95: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t987’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: 4603 | *t3339 | ^ Warning: ‘t984’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:89: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t984’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t980’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:77: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t980’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5190:50: 5190 | t5564 = 0.1173333333e3_dp*t5060*t98 | ^ Warning: ‘t98’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:71: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t98’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: 4637 | *t339*t969 | ^ Warning: ‘t976’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:60: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t976’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: 4629 | *t321*t953*t1625 | ^ Warning: ‘t974’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:48: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t974’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: 4637 | *t339*t969 | ^ Warning: ‘t973’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:42: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t973’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3510:30: 3510 | t627 = t97*t132 | ^ Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:30: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t97’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: 4637 | *t339*t969 | ^ Warning: ‘t969’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:25: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t969’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t966’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:19: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t966’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: 4603 | *t3339 | ^ Warning: ‘t963’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3174:13: 3174 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t963’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: 4637 | *t339*t969 | ^ Warning: ‘t962’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:92: 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t962’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: 4603 | *t3339 | ^ Warning: ‘t959’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:86: 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t959’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t955’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:74: 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t955’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5201:56: 5201 | t5593 = 0.1066666667e2_dp*t321*t953*t5087 | ^ Warning: ‘t953’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:62: 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t953’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: 4637 | *t339*t969 | ^ Warning: ‘t950’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:56: 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t950’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3383:38: 3383 | t341 = 0.1e1_dp/t19/t95 | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:50: 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t95’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5207:56: 5207 | t5607 = 0.5866666667e2_dp*t307*t949*t5069 | ^ Warning: ‘t949’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:45: 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t949’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t946’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3173:39: 3173 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t946’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: 4629 | *t321*t953*t1625 | ^ Warning: ‘t941’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:76: 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t941’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4615:31: 4615 | t3682 = t24*t940 | ^ Warning: ‘t940’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:70: 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t940’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4238:70: 4238 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:64: 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t94’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: 4637 | *t339*t969 | ^ Warning: ‘t930’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:59: 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t930’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5189:50: 5189 | t5562 = 0.5866666667e2_dp*t93*t4820 | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:53: 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t93’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t929’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:48: 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t929’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4665:39: 4665 | *t165*t3865*t237 | ^ Warning: ‘t922’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:30: 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t922’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3362:29: 3362 | t298 = t92*t97 | ^ Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:24: 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t92’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4851:39: 4851 | *t289*t294*t1553 | ^ Warning: ‘t918’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:19: 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t918’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4859:42: 4859 | *t83*t45*t3581*t140 | ^ Warning: ‘t914’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3172:13: 3172 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t914’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4798:66: 4798 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 | ^ Warning: ‘t907’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:94: 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t907’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4651:71: 4651 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 | ^ Warning: ‘t906’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:88: 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t906’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3961:39: 3961 | t1640 = 0.1e1_dp/t787/t9 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:76: 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t9’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5442:57: 5442 | t6216 = 0.8333333340e-1_dp*t429*t897*t4701 | ^ Warning: ‘t897’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:72: 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t897’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: 4870 | t3869 + t4657 + t4696) | ^ Warning: ‘t893’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:60: 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t893’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4719:70: 4719 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 | ^ Warning: ‘t886’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:48: 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t886’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4719:70: 4719 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 | ^ Warning: ‘t882’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:42: 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t882’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3521:49: 3521 | *t615 - 0.20e1_dp*t102*t646 | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:30: 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t88’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4782:66: 4782 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t878’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:25: 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t878’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t874’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:13: 3171 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t874’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3517:73: 3517 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:93: 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t87’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4726:37: 4726 | *t58*t3796*t71 | ^ Warning: ‘t866’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:82: 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t866’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4755:41: 4755 | t192*t68*t4256*t65 | ^ Warning: ‘t865’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:76: 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t865’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4712:66: 4712 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 | ^ Warning: ‘t864’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:70: 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t864’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t863’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:64: 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t863’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4497:80: 4497 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:52: 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t86’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4747:29: 4747 | *t3382 | ^ Warning: ‘t859’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:47: 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t859’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4559:56: 4559 | t3497 = 0.2400000000e2_dp*t473*t852*t1483 | ^ Warning: ‘t852’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:29: 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t852’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4238:70: 4238 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:17: 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t85’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3485:108: 3485 | t46*t541))*sx | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3170:12: 3170 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t84’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4833:71: 4833 | *t3507 - t3512)*t149*t160 | ^ Warning: ‘t833’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:94: 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t833’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5426:37: 5426 | t6175 = t83*t597*t1688 | ^ Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:88: 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t83’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4555:38: 4555 | t165*t171*t3449 | ^ Warning: ‘t827’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:83: 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t827’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4682:40: 4682 | *t400*t1333*t1410 | ^ Warning: ‘t822’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:71: 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t822’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4555:38: 4555 | t165*t171*t3449 | ^ Warning: ‘t815’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:65: 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t815’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: 4870 | t3869 + t4657 + t4696) | ^ Warning: ‘t804’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:59: 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t804’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t801’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:53: 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t801’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t800’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:47: 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t800’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3558:118: 3558 | *t83*t653 - 0.2222222224e0_dp*t144*t46*t739))*sx | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:41: 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t8’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4536:32: 4536 | t12*t1058 | ^ Warning: ‘t797’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3169:37: 3169 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t797’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3485:108: 3485 | t46*t541))*sx | ^ Warning: ‘t79’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:95: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t79’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4879:42: 4879 | t4721 = 0.1e1_dp/t787*t2480 | ^ Warning: ‘t787’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:90: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t787’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4927:59: 4927 | - 0.2400000000e2_dp*t786/t2492*t1058 | ^ Warning: ‘t786’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:84: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t786’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4536:32: 4536 | t12*t1058 | ^ Warning: ‘t782’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:72: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t782’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4516:85: 4516 | + t3288) | ^ Warning: ‘t78’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:66: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t78’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4670:32: 4670 | t3925 = t777*t561 | ^ Warning: ‘t777’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:61: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t777’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: 4603 | *t3339 | ^ Warning: ‘t773’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:49: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t773’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: 4629 | *t321*t953*t1625 | ^ Warning: ‘t772’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:43: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t772’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t769’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:37: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t769’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4542:57: 4542 | *t102*t3363 - 0.20e1_dp*t102*t3379 | ^ Warning: ‘t766’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:31: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t766’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: 4613 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t764’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:19: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t764’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: 4870 | t3869 + t4657 + t4696) | ^ Warning: ‘t754’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3168:13: 3168 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t754’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: 4870 | t3869 + t4657 + t4696) | ^ Warning: ‘t753’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:95: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t753’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4884:55: 4884 | t4732 = 0.6666666672e0_dp*t747*t84*t4729 | ^ Warning: ‘t747’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:89: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t747’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3433:29: 3433 | t446 = t74*rho | ^ Warning: ‘t74’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:83: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t74’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3991:31: 3991 | t1694 = t45*t739 | ^ Warning: ‘t739’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:78: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t739’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4791:39: 4791 | *t429*t1928*t290 | ^ Warning: ‘t735’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:72: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t735’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5379:33: 5379 | t6053 = t732*t6052 | ^ Warning: ‘t732’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:66: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t732’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5344:51: 5344 | t5977 = 0.1111111112e0_dp*t1755*t729 | ^ Warning: ‘t729’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:60: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t729’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4712:66: 4712 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 | ^ Warning: ‘t728’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:54: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t728’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5386:33: 5386 | t6075 = t723*t6052 | ^ Warning: ‘t723’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:48: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t723’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5557:54: 5557 | + t5949 + t5952 + t5954 - t5958 | ^ Warning: ‘t722’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:42: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t722’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5357:33: 5357 | t6006 = t719*t1838 | ^ Warning: ‘t719’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:36: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t719’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5065:90: 5065 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 | ^ Warning: ‘t716’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:30: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t716’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4003:31: 4003 | t1715 = t713*t67 | ^ Warning: ‘t713’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:24: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t713’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4049:51: 4049 | t1797 = 0.8999999998e1_dp*t1795*t710 | ^ Warning: ‘t710’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:18: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t710’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3549:87: 3549 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 | ^ Warning: ‘t71’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:12: 3167 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t71’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4040:51: 4040 | t1779 = 0.5000000001e0_dp*t1777*t709 | ^ Warning: ‘t709’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:93: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t709’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5065:90: 5065 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 | ^ Warning: ‘t708’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:87: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t708’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4197:33: 4197 | t2114 = t707*t2113 | ^ Warning: ‘t707’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:81: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t707’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5384:42: 5384 | t6066 = t1519*t705*t561*t65 | ^ Warning: ‘t705’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:75: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t705’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4482:83: 4482 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t70’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:69: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t70’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3374:29: 3374 | t321 = t7*t219 | ^ Warning: ‘t7’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:64: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t7’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4451:30: 4451 | t3097 = t66*t69 | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:60: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t69’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4118:56: 4118 | t1952 = 0.5555555557e-1_dp*t165*t689*t433 | ^ Warning: ‘t689’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:55: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t689’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3419:30: 3419 | t406 = t68*t140 | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:49: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t68’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4907:73: 4907 | *t165*t166*t4729 + 0.3333333334e0_dp*t55*t57*t4782 | ^ Warning: ‘t679’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:44: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t679’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5592:76: 5592 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ Warning: ‘t673’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:38: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t673’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5418:38: 5418 | t6160 = t147*t1885*t672 | ^ Warning: ‘t672’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3166:32: 3166 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t672’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4139:55: 4139 | t1997 = 0.1666666667e0_dp*t165*t171*t668 | ^ Warning: ‘t668’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3165:76: 3165 | t6603, t6611, t6620, t6621, t6630, t6640, t6658, t6665, t6669, t668 | ^ note: ‘t668’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3458:30: 3458 | t516 = t66*t515 | ^ Warning: ‘t66’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3164:92: 3164 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & | ^ note: ‘t66’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5414:38: 5414 | t6141 = t658*t575*t1925 | ^ Warning: ‘t658’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3164:73: 3164 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & | ^ note: ‘t658’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3990:49: 3990 | t1693 = 0.3333333336e0_dp*t55*t653 | ^ Warning: ‘t653’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3164:33: 3164 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & | ^ note: ‘t653’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3903:49: 3903 | t1545 = 0.3333333336e0_dp*t55*t650 | ^ Warning: ‘t650’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3164:13: 3164 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & | ^ note: ‘t650’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3497:59: 3497 | *t71 - 0.5000000001e0_dp*t60*t561*t65 | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3163:93: 3163 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & | ^ note: ‘t65’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4096:31: 4096 | t1902 = t68*t649 | ^ Warning: ‘t649’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3163:74: 3163 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & | ^ note: ‘t649’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5031:34: 5031 | *t105*t5118 | ^ Warning: ‘t646’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3163:54: 3163 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & | ^ note: ‘t646’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5197:53: 5197 | t5579 = 0.80e1_dp*t102*t327*t645*t1443 | ^ Warning: ‘t645’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3163:41: 3163 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & | ^ note: ‘t645’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4169:32: 4169 | t2054 = t786*t640 | ^ Warning: ‘t640’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3162:88: 3162 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & | ^ note: ‘t640’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5024:66: 5024 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t637’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3162:47: 3162 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & | ^ note: ‘t637’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5024:66: 5024 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t635’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3162:20: 3162 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & | ^ note: ‘t635’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5024:66: 5024 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t628’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3161:40: 3161 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & | ^ note: ‘t628’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5157:51: 5157 | t5480 = 0.1760000000e3_dp*t5060*t627 | ^ Warning: ‘t627’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3161:27: 3161 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & | ^ note: ‘t627’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5200:56: 5200 | t5590 = 0.80e1_dp*t624*t22*t326*t136*t233 | ^ Warning: ‘t624’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3160:41: 3160 | t6219, t6222, t6223, t6227, t624, t6247, t6249, t6252, t6253, t6256, t6257, t6260, t6263, & | ^ note: ‘t624’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3450:35: 3450 | *t61*t262*t25 | ^ Warning: ‘t62’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3159:61: 3159 | REAL(kind=dp) :: t6186, t6189, t6192, t6194, t6198, t62, t6201, t6207, t6210, t6213, t6216, & | ^ note: ‘t62’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5031:34: 5031 | *t105*t5118 | ^ Warning: ‘t615’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3157:96: 3157 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & | ^ note: ‘t615’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3940:32: 3940 | t1608 = t953*t614 | ^ Warning: ‘t614’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3157:76: 3157 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & | ^ note: ‘t614’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3345:34: 3345 | t264 = t61*t262*t17 | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3156:73: 3156 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & | ^ note: ‘t61’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5031:34: 5031 | *t105*t5118 | ^ Warning: ‘t609’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3156:40: 3156 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & | ^ note: ‘t609’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3929:32: 3929 | t1592 = t949*t608 | ^ Warning: ‘t608’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3156:27: 3156 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & | ^ note: ‘t608’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t605’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3155:34: 3155 | t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, & | ^ note: ‘t605’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4037:31: 4037 | t1774 = t60*t496 | ^ Warning: ‘t60’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3153:64: 3153 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & | ^ note: ‘t60’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3393:30: 3393 | t365 = t6*ndrho | ^ Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3153:59: 3153 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & | ^ note: ‘t6’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3902:49: 3902 | t1543 = 0.3333333336e0_dp*t55*t598 | ^ Warning: ‘t598’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3153:27: 3153 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & | ^ note: ‘t598’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5426:37: 5426 | t6175 = t83*t597*t1688 | ^ Warning: ‘t597’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3152:76: 3152 | REAL(kind=dp) :: t5954, t5956, t5958, t5960, t5963, t5964, t5966, t597, t5971, t5973, t5975, & | ^ note: ‘t597’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4135:56: 4135 | t1987 = 0.8333333335e-1_dp*t429*t437*t593 | ^ Warning: ‘t593’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3151:20: 3151 | t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952 | ^ note: ‘t593’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3840:50: 3840 | t1408 = 0.4444444448e0_dp*t214*t590 | ^ Warning: ‘t590’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3150:32: 3150 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & | ^ note: ‘t590’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3534:30: 3534 | t707 = t187*t59 | ^ Warning: ‘t59’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3150:26: 3150 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & | ^ note: ‘t59’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4917:60: 4917 | t4812 = 0.1333333334e1_dp*t217*t46*t589*t1447 | ^ Warning: ‘t589’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3149:97: 3149 | t5850, t5854, t5857, t5861, t5864, t5868, t5869, t5875, t5880, t5881, t5885, t5888, t589, & | ^ note: ‘t589’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4122:31: 4122 | t1962 = t585*rho | ^ Warning: ‘t585’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3148:97: 3148 | t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, & | ^ note: ‘t585’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3348:30: 3348 | t268 = t58*t237 | ^ Warning: ‘t58’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3147:53: 3147 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & | ^ note: ‘t58’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4782:66: 4782 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t579’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3147:27: 3147 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & | ^ note: ‘t579’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4186:39: 4186 | t2081*t575*t2082 | ^ Warning: ‘t575’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3146:34: 3146 | t5742, t5745, t5749, t575, t5752, t5756, t5760, t5767, t5770, t5773, t5776, t5780, t5783, & | ^ note: ‘t575’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3619:69: 3619 | *t170*t455*t17 + 0.3333333334e0_dp*t55*t57*t889 | ^ Warning: ‘t57’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3144:53: 3144 | t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 | ^ note: ‘t57’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5481:36: 5481 | t5011 + t5001 | ^ Warning: ‘t569’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3144:13: 3144 | t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 | ^ note: ‘t569’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4907:73: 4907 | *t165*t166*t4729 + 0.3333333334e0_dp*t55*t57*t4782 | ^ Warning: ‘t567’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3143:41: 3143 | t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, t5686, t5689, & | ^ note: ‘t567’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4117:56: 4117 | t1946 = 0.1666666667e0_dp*t165*t1392*t561 | ^ Warning: ‘t561’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3141:60: 3141 | t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, t5622, & | ^ note: ‘t561’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3445:30: 3445 | t479 = t56*t140 | ^ Warning: ‘t56’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3141:26: 3141 | t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, t5622, & | ^ note: ‘t56’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5031:34: 5031 | *t105*t5118 | ^ Warning: ‘t558’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3140:68: 3140 | t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, t5593, & | ^ note: ‘t558’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5493:79: 5493 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468 | ^ Warning: ‘t557’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3140:34: 3140 | t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, t5593, & | ^ note: ‘t557’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5024:66: 5024 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t550’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3138:27: 3138 | REAL(kind=dp) :: t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, t5531, & | ^ note: ‘t550’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5084:55: 5084 | t5301 = 0.3333333336e0_dp*t55*t384*t4729 | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3137:75: 3137 | t5480, t5482, t5484, t5487, t5489, t5492, t5494, t5496, t5499, t55 | ^ note: ‘t55’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3701:31: 3701 | t1071 = t45*t541 | ^ Warning: ‘t541’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3134:83: 3134 | t5376, t5379, t5383, t5386, t5389, t5397, t5400, t5402, t5406, t5409, t541, t5412, t5415, & | ^ note: ‘t541’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4497:80: 4497 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t537’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3133:76: 3133 | t5343, t5345, t5347, t5351, t5354, t5357, t5360, t5363, t5367, t537, t5370, t5371, t5373, & | ^ note: ‘t537’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4450:69: 4450 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 | ^ Warning: ‘t534’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3132:90: 3132 | t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, t5342, & | ^ note: ‘t534’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4463:34: 4463 | *t503*t2312 | ^ Warning: ‘t531’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3131:87: 3131 | REAL(kind=dp) :: t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, t5311, & | ^ note: ‘t531’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4463:34: 4463 | *t503*t2312 | ^ Warning: ‘t530’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3131:53: 3131 | REAL(kind=dp) :: t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, t5311, & | ^ note: ‘t530’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4014:51: 4014 | t1735 = 0.3703703705e-1_dp*t719*t527 | ^ Warning: ‘t527’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3130:26: 3130 | t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284, t5291 | ^ note: ‘t527’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4472:64: 4472 | *t2622*t71 - 0.1666666668e0_dp*t1106*t886 | ^ Warning: ‘t526’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3130:13: 3130 | t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284, t5291 | ^ note: ‘t526’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4482:83: 4482 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t520’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3129:40: 3129 | t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, t5256, & | ^ note: ‘t520’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4482:83: 4482 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t517’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3129:20: 3129 | t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, t5256, & | ^ note: ‘t517’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4726:37: 4726 | *t58*t3796*t71 | ^ Warning: ‘t516’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3128:94: 3128 | t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, t516, & | ^ note: ‘t516’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4482:83: 4482 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t515’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3128:88: 3128 | t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, t516, & | ^ note: ‘t515’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4463:34: 4463 | *t503*t2312 | ^ Warning: ‘t512’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3128:40: 3128 | t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, t516, & | ^ note: ‘t512’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3756:32: 3756 | t1213 = t511*t225 | ^ Warning: ‘t511’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3128:20: 3128 | t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, t516, & | ^ note: ‘t511’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5380:52: 5380 | t6056 = 0.5555555558e-1_dp*t508*t5271 | ^ Warning: ‘t508’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3127:76: 3127 | t5043, t5044, t5047, t5050, t5051, t5060, t5065, t5069, t5079, t508, t5083, t5087, t5106, & | ^ note: ‘t508’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4774:64: 4774 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t503’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3126:69: 3126 | t5011, t5013, t5016, t5019, t5022, t5025, t5028, t5029, t503, t5032, t5035, t5036, t5040, & | ^ note: ‘t503’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3712:31: 3712 | t1106 = t500*t67 | ^ Warning: ‘t500’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3125:58: 3125 | t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, t5009, & | ^ note: ‘t500’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4295:40: 4295 | *t1368*t166*t2160 | ^ Warning: ‘t50’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3125:52: 3125 | t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, t5009, & | ^ note: ‘t50’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4450:69: 4450 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 | ^ Warning: ‘t498’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3125:33: 3125 | t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, t5009, & | ^ note: ‘t498’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4482:83: 4482 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t496’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3125:27: 3125 | t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, t5009, & | ^ note: ‘t496’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3341:30: 3341 | t245*t17 | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3122:67: 3122 | t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, t4907, & | ^ note: ‘t49’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4439:76: 4439 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ Warning: ‘t489’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3122:34: 3122 | t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, t4907, & | ^ note: ‘t489’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3358:35: 3358 | t289 = rho*t48*omega | ^ Warning: ‘t48’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3120:12: 3120 | t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, t4837, & | ^ note: ‘t48’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4430:33: 4430 | t1176*t804 | ^ Warning: ‘t479’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3119:68: 3119 | t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, t4797, & | ^ note: ‘t479’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4946:39: 4946 | t4895 = t478*t1500*t4729 | ^ Warning: ‘t478’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3119:41: 3119 | t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, t4797, & | ^ note: ‘t478’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4430:33: 4430 | t1176*t804 | ^ Warning: ‘t474’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3118:48: 3118 | t4733, t4734, t4736, t4738, t4739, t474, t4743, t4744, t4748, t4760, t4764, t4768, t4769, & | ^ note: ‘t474’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5469:45: 5469 | *t4901 - t4907 + t4911 | ^ Warning: ‘t473’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3117:88: 3117 | REAL(kind=dp) :: t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, t4732, & | ^ note: ‘t473’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4058:32: 4058 | t1821 = t472*t262 | ^ Warning: ‘t472’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3117:54: 3117 | REAL(kind=dp) :: t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, t4732, & | ^ note: ‘t472’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5550:29: 5550 | *t6271 | ^ Warning: ‘t471’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3117:27: 3117 | REAL(kind=dp) :: t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, t4732, & | ^ note: ‘t471’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3789:40: 3789 | t1300 = 0.1e1_dp/t41/t470 | ^ Warning: ‘t470’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3116:38: 3116 | t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707, t4708 | ^ note: ‘t470’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3415:30: 3415 | t399 = t47*t398 | ^ Warning: ‘t47’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3116:32: 3116 | t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707, t4708 | ^ note: ‘t47’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4366:104: 4366 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 | ^ Warning: ‘t466’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3116:20: 3116 | t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707, t4708 | ^ note: ‘t466’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4381:40: 4381 | *t2763*t446*t2779 | ^ Warning: ‘t462’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3115:85: 3115 | t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, t4627, & | ^ note: ‘t462’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3485:108: 3485 | t46*t541))*sx | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3115:72: 3115 | t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, t4627, & | ^ note: ‘t46’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4295:40: 4295 | *t1368*t166*t2160 | ^ Warning: ‘t455’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3115:46: 3115 | t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, t4627, & | ^ note: ‘t455’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4482:83: 4482 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t451’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3115:26: 3115 | t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, t4627, & | ^ note: ‘t451’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4366:104: 4366 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 | ^ Warning: ‘t450’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3115:13: 3115 | t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, t4627, & | ^ note: ‘t450’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4497:80: 4497 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t446’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3114:77: 3114 | t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, t4498, t45, & | ^ note: ‘t446’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5415:38: 5415 | t6144 = t445*t4512*t668 | ^ Warning: ‘t445’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3114:71: 3114 | t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, t4498, t45, & | ^ note: ‘t445’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4369:33: 4369 | t2763 = t1367*t444 | ^ Warning: ‘t444’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3114:65: 3114 | t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, t4498, t45, & | ^ note: ‘t444’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4497:80: 4497 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t437’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3114:33: 3114 | t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, t4498, t45, & | ^ note: ‘t437’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4418:57: 4418 | - 0.5000000001e0_dp*t429*t437*t914 | ^ Warning: ‘t433’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3114:13: 3114 | t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, t4498, t45, & | ^ note: ‘t433’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: 4870 | t3869 + t4657 + t4696) | ^ Warning: ‘t43’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3113:85: 3113 | t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, t4317, & | ^ note: ‘t43’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5413:38: 5413 | t6138 = t429*t1928*t593 | ^ Warning: ‘t429’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3113:73: 3113 | t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, t4317, & | ^ note: ‘t429’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4520:30: 4520 | t3305 = t4*t428 | ^ Warning: ‘t428’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3113:67: 3113 | t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, t4317, & | ^ note: ‘t428’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5409:56: 5409 | t6126 = 0.1800000000e2_dp*t658*t4764*t425 | ^ Warning: ‘t425’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3113:33: 3113 | t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, t4317, & | ^ note: ‘t425’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4418:57: 4418 | - 0.5000000001e0_dp*t429*t437*t914 | ^ Warning: ‘t424’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3113:27: 3113 | t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, t4317, & | ^ note: ‘t424’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3408:31: 3408 | t383 = t42*omega | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3112:90: 3112 | t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, t4201, & | ^ note: ‘t42’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4405:65: 4405 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 | ^ Warning: ‘t417’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3112:85: 3112 | t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, t4201, & | ^ note: ‘t417’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4497:80: 4497 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t413’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3112:65: 3112 | t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, t4201, & | ^ note: ‘t413’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3562:38: 3562 | t747 = lambda*t41*omega | ^ Warning: ‘t41’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3112:45: 3112 | t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, t4201, & | ^ note: ‘t41’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4405:65: 4405 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 | ^ Warning: ‘t406’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3112:26: 3112 | t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, t4201, & | ^ note: ‘t406’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3591:35: 3591 | *t49*t822*t14 | ^ Warning: ‘t405’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3112:20: 3112 | t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, t4201, & | ^ note: ‘t405’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4393:39: 4393 | *t400*t401*t2230 | ^ Warning: ‘t401’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3111:75: 3111 | t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, t4025, & | ^ note: ‘t401’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5221:38: 5221 | t5643 = t400*t3975*t561 | ^ Warning: ‘t400’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3111:69: 3111 | t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, t4025, & | ^ note: ‘t400’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4420:41: 4420 | t2992 = 0.1e1_dp/t1140/t40 | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3111:63: 3111 | t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, t4025, & | ^ note: ‘t40’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3841:30: 3841 | t1409 = t4*t164 | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3111:58: 3111 | t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, t4025, & | ^ note: ‘t4’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4099:32: 4099 | t1912 = t399*t245 | ^ Warning: ‘t399’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3111:54: 3111 | t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, t4025, & | ^ note: ‘t399’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4498:31: 4498 | t3278 = rho*t398 | ^ Warning: ‘t398’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3111:41: 3111 | t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, t4025, & | ^ note: ‘t398’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4366:104: 4366 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 | ^ Warning: ‘t394’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3110:88: 3110 | REAL(kind=dp) :: t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, t3940, & | ^ note: ‘t394’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4823:58: 4823 | + 0.3333333334e0_dp*t165*t437*t1688 | ^ Warning: ‘t393’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3110:68: 3110 | REAL(kind=dp) :: t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, t3940, & | ^ note: ‘t393’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4418:57: 4418 | - 0.5000000001e0_dp*t429*t437*t914 | ^ Warning: ‘t392’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3110:55: 3110 | REAL(kind=dp) :: t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, t3940, & | ^ note: ‘t392’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3834:29: 3834 | *t1397 | ^ Warning: ‘t387’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3109:74: 3109 | t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869, t387 | ^ note: ‘t387’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4508:66: 4508 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 | ^ Warning: ‘t384’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3109:26: 3109 | t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869, t387 | ^ note: ‘t384’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5099:51: 5099 | t5335 = 0.2222222224e0_dp*t383*t5281 | ^ Warning: ‘t383’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3109:20: 3109 | t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869, t387 | ^ note: ‘t383’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3834:29: 3834 | *t1397 | ^ Warning: ‘t380’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3108:90: 3108 | t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, t3826, & | ^ note: ‘t380’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4508:66: 4508 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 | ^ Warning: ‘t379’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3108:70: 3108 | t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, t3826, & | ^ note: ‘t379’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5205:42: 5205 | t5602 = 0.40e1_dp*t624*t376 | ^ Warning: ‘t376’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3108:57: 3108 | t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, t3826, & | ^ note: ‘t376’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4340:55: 4340 | 0.5866666667e2_dp*t962*t949*t375 | ^ Warning: ‘t375’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3108:44: 3108 | t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, t3826, & | ^ note: ‘t375’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3972:48: 3972 | t1662 = 0.3200000000e2_dp*t7*t372 | ^ Warning: ‘t372’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3108:31: 3108 | t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, t3826, & | ^ note: ‘t372’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4322:34: 4322 | *t2565*t796 | ^ Warning: ‘t371’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3108:18: 3108 | t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, t3826, & | ^ note: ‘t371’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3490:61: 3490 | t561 = 0.40e1_dp*t24*t37 - 0.20e1_dp*t102*t558 | ^ Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3108:12: 3108 | t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, t3826, & | ^ note: ‘t37’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4322:34: 4322 | *t2565*t796 | ^ Warning: ‘t368’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3107:86: 3107 | t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, t3682, & | ^ note: ‘t368’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3634:31: 3634 | t942 = t367*t306 | ^ Warning: ‘t367’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3107:52: 3107 | t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, t3682, & | ^ note: ‘t367’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5164:38: 5164 | t5496 = t366*t368*t1681 | ^ Warning: ‘t366’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3107:39: 3107 | t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, t3682, & | ^ note: ‘t366’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4322:34: 4322 | *t2565*t796 | ^ Warning: ‘t365’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3107:33: 3107 | t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, t3682, & | ^ note: ‘t365’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3973:42: 3973 | t1664 = 0.60e1_dp*t550*t362 | ^ Warning: ‘t362’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3107:27: 3107 | t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, t3682, & | ^ note: ‘t362’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4322:34: 4322 | *t2565*t796 | ^ Warning: ‘t360’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3106:93: 3106 | t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, t360, & | ^ note: ‘t360’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3331:30: 3331 | t221 = t220*t36 | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3106:87: 3106 | t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, t360, & | ^ note: ‘t36’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4439:76: 4439 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ Warning: ‘t357’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3106:54: 3106 | t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, t360, & | ^ note: ‘t357’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3677:32: 3677 | t1002*rho | ^ Warning: ‘t356’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3106:34: 3106 | t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, t360, & | ^ note: ‘t356’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3969:51: 3969 | t1656 = 0.8000000000e1_dp*t1429*t352 | ^ Warning: ‘t352’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3105:66: 3105 | t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, t3546, & | ^ note: ‘t352’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t350’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3105:18: 3105 | t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, t3546, & | ^ note: ‘t350’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4331:40: 4331 | t2585 = 0.1e1_dp/t972/t35 | ^ Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3105:12: 3105 | t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, t3546, & | ^ note: ‘t35’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5159:51: 5159 | t5484 = 0.1760000000e3_dp*t5460*t347 | ^ Warning: ‘t347’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3104:65: 3104 | t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, t3497, & | ^ note: ‘t347’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3965:51: 3965 | t1647 = 0.5600000000e2_dp*t1645*t343 | ^ Warning: ‘t343’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3104:45: 3104 | t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, t3497, & | ^ note: ‘t343’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: 4613 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t342’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3104:39: 3104 | t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, t3497, & | ^ note: ‘t342’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4497:80: 4497 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t341’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3104:33: 3104 | t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, t3497, & | ^ note: ‘t341’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t339’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3104:27: 3104 | t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, t3497, & | ^ note: ‘t339’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3960:49: 3960 | t1638 = 0.1200000000e3_dp*t24*t336 | ^ Warning: ‘t336’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3103:69: 3103 | REAL(kind=dp) :: t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, t3378, & | ^ note: ‘t336’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3974:76: 3974 | t1667 = 0.28e2_dp/0.3e1_dp*t332 - 0.28e2_dp/0.3e1_dp*t987*rho | ^ Warning: ‘t332’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3102:67: 3102 | t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329, t3339 | ^ note: ‘t332’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4519:73: 4519 | e_rho_rho_rho_spin(ii) = e_rho_rho_rho_spin(ii) + t3291*sx | ^ Warning: ‘t3291’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3102:40: 3102 | t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329, t3339 | ^ note: ‘t3291’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3944:42: 3944 | t1615 = 0.80e1_dp*t112*t329 | ^ Warning: ‘t329’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3102:33: 3102 | t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329, t3339 | ^ note: ‘t329’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4340:55: 4340 | 0.5866666667e2_dp*t962*t949*t375 | ^ Warning: ‘t328’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3102:20: 3102 | t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329, t3339 | ^ note: ‘t328’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4653:32: 4653 | t3842 = t3278*t46 | ^ Warning: ‘t3278’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3102:14: 3102 | t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329, t3339 | ^ note: ‘t3278’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4330:85: 4330 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 | ^ Warning: ‘t327’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3101:92: 3101 | t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & | ^ note: ‘t327’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4704:32: 4704 | t4025 = t3262*t57 | ^ Warning: ‘t3262’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3101:72: 3101 | t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & | ^ note: ‘t3262’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3933:31: 3933 | t1598 = t326*rho | ^ Warning: ‘t326’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3101:65: 3101 | t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & | ^ note: ‘t326’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4833:71: 4833 | *t3507 - t3512)*t149*t160 | ^ Warning: ‘t3248’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3101:59: 3101 | t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & | ^ note: ‘t3248’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4806:41: 4806 | *t1246*t3244*t1483 | ^ Warning: ‘t3244’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3101:52: 3101 | t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & | ^ note: ‘t3244’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5192:51: 5192 | t5568 = 0.1066666667e2_dp*t1645*t322 | ^ Warning: ‘t322’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3101:38: 3101 | t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & | ^ note: ‘t322’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5154:57: 5154 | t5472 = 0.3200000001e2_dp*t321*t2455*t5079 | ^ Warning: ‘t321’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3101:32: 3101 | t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & | ^ note: ‘t321’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3931:43: 3931 | t1596 = 0.320e2_dp*t605*t318 | ^ Warning: ‘t318’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3101:19: 3101 | t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & | ^ note: ‘t318’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4340:55: 4340 | 0.5866666667e2_dp*t962*t949*t375 | ^ Warning: ‘t317’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3101:13: 3101 | t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & | ^ note: ‘t317’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4340:55: 4340 | 0.5866666667e2_dp*t962*t949*t375 | ^ Warning: ‘t316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3100:97: 3100 | t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, t3141, t316, & | ^ note: ‘t316’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5149:51: 5149 | t5462 = 0.1173333333e3_dp*t5460*t313 | ^ Warning: ‘t313’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3100:84: 3100 | t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, t3141, t316, & | ^ note: ‘t313’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4482:83: 4482 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t311’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3100:71: 3100 | t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, t3141, t316, & | ^ note: ‘t311’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3487:29: 3487 | t551 = t27*t31 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3100:65: 3100 | t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, t3141, t316, & | ^ note: ‘t31’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4774:64: 4774 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t3097’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3100:53: 3100 | t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, t3141, t316, & | ^ note: ‘t3097’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3662:40: 3662 | t1002 = 0.1e1_dp/t19/t309 | ^ Warning: ‘t309’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3100:39: 3100 | t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, t3141, t316, & | ^ note: ‘t309’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3672:31: 3672 | t1033 = t308*t12 | ^ Warning: ‘t308’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3100:26: 3100 | t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, t3141, t316, & | ^ note: ‘t308’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5207:56: 5207 | t5607 = 0.5866666667e2_dp*t307*t949*t5069 | ^ Warning: ‘t307’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3100:13: 3100 | t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, t3141, t316, & | ^ note: ‘t307’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3630:31: 3630 | t929 = t306*t311 | ^ Warning: ‘t306’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:85: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t306’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4737:39: 4737 | *t478*t183*t3918 | ^ Warning: ‘t3030’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:79: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t3030’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t302’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:65: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t302’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4737:39: 4737 | *t478*t183*t3918 | ^ Warning: ‘t2998’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:59: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t2998’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4737:39: 4737 | *t478*t183*t3918 | ^ Warning: ‘t2994’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:52: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t2994’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5550:29: 5550 | *t6271 | ^ Warning: ‘t2992’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:45: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t2992’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3921:49: 3921 | t1579 = 0.1173333333e3_dp*t24*t299 | ^ Warning: ‘t299’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:38: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t299’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3932:30: 3932 | t1597 = t7*t298 | ^ Warning: ‘t298’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:32: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t298’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3834:29: 3834 | *t1397 | ^ Warning: ‘t295’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:26: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t295’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4516:85: 4516 | + t3288) | ^ Warning: ‘t294’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:20: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t294’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4823:58: 4823 | + 0.3333333334e0_dp*t165*t437*t1688 | ^ Warning: ‘t2937’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3099:14: 3099 | t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, t3069, & | ^ note: ‘t2937’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4508:66: 4508 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 | ^ Warning: ‘t290’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3098:88: 3098 | t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, t2935, & | ^ note: ‘t290’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5428:38: 5428 | t6181 = t289*t1564*t593 | ^ Warning: ‘t289’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3098:82: 3098 | t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, t2935, & | ^ note: ‘t289’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5115:39: 5115 | t5373 = t2885*t446*t5371 | ^ Warning: ‘t2885’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3098:76: 3098 | t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, t2935, & | ^ note: ‘t2885’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4695:34: 4695 | t1320*t1483 | ^ Warning: ‘t2873’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3098:62: 3098 | t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, t2935, & | ^ note: ‘t2873’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3838:106: 3838 | t804 - 0.4444444448e0_dp*t43*t894 + t8*t1401)*sx | ^ Warning: ‘t283’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3098:27: 3098 | t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, t2935, & | ^ note: ‘t283’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4682:40: 4682 | *t400*t1333*t1410 | ^ Warning: ‘t2823’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3098:21: 3098 | t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, t2935, & | ^ note: ‘t2823’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5481:36: 5481 | t5011 + t5001 | ^ Warning: ‘t2821’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3098:14: 3098 | t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, t2935, & | ^ note: ‘t2821’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4516:85: 4516 | + t3288) | ^ Warning: ‘t282’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3097:94: 3097 | t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, t282, & | ^ note: ‘t282’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4682:40: 4682 | *t400*t1333*t1410 | ^ Warning: ‘t2808’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3097:81: 3097 | t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, t282, & | ^ note: ‘t2808’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4497:80: 4497 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t278’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3097:67: 3097 | t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, t282, & | ^ note: ‘t278’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5118:59: 5118 | t5383 = 0.4166666667e-1_dp*t2763*t1247*t5002 | ^ Warning: ‘t2763’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3097:54: 3097 | t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, t282, & | ^ note: ‘t2763’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4463:34: 4463 | *t503*t2312 | ^ Warning: ‘t275’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3097:40: 3097 | t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, t282, & | ^ note: ‘t275’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4580:33: 4580 | t3569 = t274*t1505 | ^ Warning: ‘t274’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3097:34: 3097 | t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, t282, & | ^ note: ‘t274’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4806:41: 4806 | *t1246*t3244*t1483 | ^ Warning: ‘t2720’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3097:14: 3097 | t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, t282, & | ^ note: ‘t2720’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4450:69: 4450 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 | ^ Warning: ‘t271’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3096:91: 3096 | REAL(kind=dp) :: t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, t271, & | ^ note: ‘t271’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4842:60: 4842 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t2707’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3096:85: 3096 | REAL(kind=dp) :: t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, t271, & | ^ note: ‘t2707’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3487:29: 3487 | t551 = t27*t31 | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3096:78: 3096 | REAL(kind=dp) :: t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, t271, & | ^ note: ‘t27’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4482:83: 4482 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t268’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3096:73: 3096 | REAL(kind=dp) :: t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, t271, & | ^ note: ‘t268’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4482:83: 4482 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t267’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3096:67: 3096 | REAL(kind=dp) :: t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, t271, & | ^ note: ‘t267’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4450:69: 4450 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 | ^ Warning: ‘t266’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3096:61: 3096 | REAL(kind=dp) :: t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, t271, & | ^ note: ‘t266’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4851:39: 4851 | *t289*t294*t1553 | ^ Warning: ‘t2636’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3096:35: 3096 | REAL(kind=dp) :: t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, t271, & | ^ note: ‘t2636’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4859:42: 4859 | *t83*t45*t3581*t140 | ^ Warning: ‘t2631’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3095:80: 3095 | t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622, t2631 | ^ note: ‘t2631’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4058:32: 4058 | t1821 = t472*t262 | ^ Warning: ‘t262’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3095:59: 3095 | t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622, t2631 | ^ note: ‘t262’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5143:57: 5143 | t5449 = 0.1173333333e3_dp*t307*t2611*t5065 | ^ Warning: ‘t2611’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3095:53: 3095 | t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622, t2631 | ^ note: ‘t2611’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5248:73: 5248 | t5716 = 0.1620000000e3_dp*t4994*t392*t4769*t1141*t26*t5713 | ^ Warning: ‘t26’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3095:40: 3095 | t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622, t2631 | ^ note: ‘t26’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4630:33: 4630 | t3750 = t2585*t136 | ^ Warning: ‘t2585’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3095:35: 3095 | t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622, t2631 | ^ note: ‘t2585’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5172:67: 5172 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 | ^ Warning: ‘t2565’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3095:14: 3095 | t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622, t2631 | ^ note: ‘t2565’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4604:32: 4604 | t3668 = t2552*t23 | ^ Warning: ‘t2552’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3094:93: 3094 | t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, t2552, & | ^ note: ‘t2552’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: 4613 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t2537’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3094:86: 3094 | t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, t2552, & | ^ note: ‘t2537’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5005:38: 5005 | + t5032 + t5035 | ^ Warning: ‘t250’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3094:79: 3094 | t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, t2552, & | ^ note: ‘t250’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3479:26: 3479 | t537 | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3094:73: 3094 | t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, t2552, & | ^ note: ‘t25’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4927:59: 4927 | - 0.2400000000e2_dp*t786/t2492*t1058 | ^ Warning: ‘t2492’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3094:68: 3094 | t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, t2552, & | ^ note: ‘t2492’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4295:40: 4295 | *t1368*t166*t2160 | ^ Warning: ‘t249’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3094:61: 3094 | t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, t2552, & | ^ note: ‘t249’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5024:66: 5024 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t2480’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3094:55: 3094 | t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, t2552, & | ^ note: ‘t2480’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: 4629 | *t321*t953*t1625 | ^ Warning: ‘t2468’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3094:48: 3094 | t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, t2552, & | ^ note: ‘t2468’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5154:57: 5154 | t5472 = 0.3200000001e2_dp*t321*t2455*t5079 | ^ Warning: ‘t2455’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3094:41: 3094 | t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, t2552, & | ^ note: ‘t2455’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4099:32: 4099 | t1912 = t399*t245 | ^ Warning: ‘t245’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3094:27: 3094 | t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, t2552, & | ^ note: ‘t245’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4851:39: 4851 | *t289*t294*t1553 | ^ Warning: ‘t2404’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3093:79: 3093 | t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, t2424, & | ^ note: ‘t2404’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3387:30: 3387 | t350 = t24*t225 | ^ Warning: ‘t24’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3093:72: 3093 | t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, t2424, & | ^ note: ‘t24’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4516:85: 4516 | + t3288) | ^ Warning: ‘t237’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3093:46: 3093 | t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, t2424, & | ^ note: ‘t237’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3924:44: 3924 | t1584 = 0.320e2_dp*t1582*t234 | ^ Warning: ‘t234’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3093:26: 3093 | t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, t2424, & | ^ note: ‘t234’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4330:85: 4330 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 | ^ Warning: ‘t233’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3093:20: 3093 | t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, t2424, & | ^ note: ‘t233’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3855:53: 3855 | + 0.8000000000e1_dp*t366*t1440 | ^ Warning: ‘t230’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3092:46: 3092 | t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, t2319, & | ^ note: ‘t230’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3945:29: 3945 | t1616 = t7*t23 | ^ Warning: ‘t23’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3092:40: 3092 | t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, t2319, & | ^ note: ‘t23’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4422:31: 4422 | t2998 = t27*t225 | ^ Warning: ‘t225’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3090:87: 3090 | t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, t2257, & | ^ note: ‘t225’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3659:40: 3659 | t995 = 0.1e1_dp/t787/t224 | ^ Warning: ‘t224’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3090:81: 3090 | t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, t2257, & | ^ note: ‘t224’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t2220’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3090:54: 3090 | t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, t2257, & | ^ note: ‘t2220’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3859:28: 3859 | t1444 | ^ Warning: ‘t221’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3090:47: 3090 | t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, t2257, & | ^ note: ‘t221’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4322:34: 4322 | *t2565*t796 | ^ Warning: ‘t220’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3090:13: 3090 | t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, t2257, & | ^ note: ‘t220’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3377:30: 3377 | t327 = t22*t326 | ^ Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3089:93: 3089 | REAL(kind=dp) :: t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, t22, & | ^ note: ‘t22’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3657:31: 3657 | t987 = t219*t341 | ^ Warning: ‘t219’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3089:60: 3089 | REAL(kind=dp) :: t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, t22, & | ^ note: ‘t219’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5024:66: 5024 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t2182’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3089:40: 3089 | REAL(kind=dp) :: t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, t22, & | ^ note: ‘t2182’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4322:34: 4322 | *t2565*t796 | ^ Warning: ‘t218’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3089:33: 3089 | REAL(kind=dp) :: t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, t22, & | ^ note: ‘t218’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4936:42: 4936 | t4864 = t217*t46*t1535*t561 | ^ Warning: ‘t217’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3089:27: 3089 | REAL(kind=dp) :: t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, t22, & | ^ note: ‘t217’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4873:56: 4873 | t4704 = 0.3333333336e0_dp*t2147*t84*t4701 | ^ Warning: ‘t2147’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3088:55: 3088 | t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160, t2169 | ^ note: ‘t2147’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4908:55: 4908 | t4789 = 0.4444444448e0_dp*t214*t46*t4786 | ^ Warning: ‘t214’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3088:41: 3088 | t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160, t2169 | ^ note: ‘t214’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5510:79: 5510 | *t6181 - t6185 + t6189 - t6192 - 0.3333333336e0_dp*t6194 | ^ Warning: ‘t2139’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3088:35: 3088 | t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160, t2169 | ^ note: ‘t2139’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5525:90: 5525 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 | ^ Warning: ‘t2131’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3088:21: 3088 | t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160, t2169 | ^ note: ‘t2131’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5562:82: 5562 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 | ^ Warning: ‘t2126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:91: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5582:46: 5582 | *t60*t2124*t709 - t6044 | ^ Warning: ‘t2124’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:84: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2124’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5562:82: 5562 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 | ^ Warning: ‘t2118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:77: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2118’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5566:41: 5566 | *t5228*t2117*t2028 | ^ Warning: ‘t2117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:70: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2117’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5562:82: 5562 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 | ^ Warning: ‘t2114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:63: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2114’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5582:46: 5582 | *t60*t2124*t709 - t6044 | ^ Warning: ‘t2113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:56: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2113’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5572:60: 5572 | t6260 + 0.8999999998e1_dp*t5229*t2104 | ^ Warning: ‘t2104’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:42: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2104’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5550:29: 5550 | *t6271 | ^ Warning: ‘t2099’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:35: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2099’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5566:41: 5566 | *t5228*t2117*t2028 | ^ Warning: ‘t2098’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:28: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2098’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5562:82: 5562 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 | ^ Warning: ‘t2095’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:21: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2095’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5592:76: 5592 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ Warning: ‘t2088’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3087:14: 3087 | t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, t2126, & | ^ note: ‘t2088’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5592:76: 5592 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ Warning: ‘t2082’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:90: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t2082’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5540:38: 5540 | - t6090 + t6094 | ^ Warning: ‘t2081’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:83: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t2081’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5592:76: 5592 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ Warning: ‘t2077’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:76: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t2077’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5525:90: 5525 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 | ^ Warning: ‘t2074’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:69: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t2074’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4651:71: 4651 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 | ^ Warning: ‘t207’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:55: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t207’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5511:33: 5511 | t6400 = t2061*t561 | ^ Warning: ‘t2061’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:49: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t2061’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5503:78: 5503 | - t5595 + t5597 - t5600 - t5602 + t5604 + t5607 + t5610 | ^ Warning: ‘t2058’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:42: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t2058’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5493:79: 5493 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468 | ^ Warning: ‘t2057’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:35: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t2057’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5497:40: 5497 | *t1054*t640*t3679 | ^ Warning: ‘t2054’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:28: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t2054’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5597:132: 5597 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) | ^ Warning: ‘t2050’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:21: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t2050’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5601:73: 5601 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665) | ^ Warning: ‘t2046’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:14: 3086 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, & | ^ note: ‘t2046’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5536:63: 5536 | *t575*t161*t1447 + t5773 + t5776 + t5780 | ^ Warning: ‘t2042’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:97: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2042’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5592:76: 5592 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ Warning: ‘t2035’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:90: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2035’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5582:46: 5582 | *t60*t2124*t709 - t6044 | ^ Warning: ‘t2032’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:83: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2032’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5515:46: 5515 | *t27*t6291*t172 - t5397 | ^ Warning: ‘t2031’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:76: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2031’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3438:30: 3438 | t466 = t27*t203 | ^ Warning: ‘t203’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:69: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t203’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5566:41: 5566 | *t5228*t2117*t2028 | ^ Warning: ‘t2028’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:63: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2028’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5550:29: 5550 | *t6271 | ^ Warning: ‘t2027’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:56: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2027’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5005:38: 5005 | + t5032 + t5035 | ^ Warning: ‘t2022’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:49: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2022’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5488:54: 5488 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t2018’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:42: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2018’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5488:54: 5488 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t2014’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:35: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2014’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5488:54: 5488 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t2013’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:28: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2013’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5488:54: 5488 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t2009’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3085:21: 3085 | t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, t2042, & | ^ note: ‘t2009’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4667:32: 4667 | t3875 = t45*t2002 | ^ Warning: ‘t2002’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3084:94: 3084 | t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, t2002, & | ^ note: ‘t2002’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3549:87: 3549 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 | ^ Warning: ‘t200’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3084:73: 3084 | t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, t2002, & | ^ note: ‘t200’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4127:31: 4127 | t1972 = t177*t20 | ^ Warning: ‘t20’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3084:67: 3084 | t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, t2002, & | ^ note: ‘t20’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3465:31: 3465 | t534 = t199*t267 | ^ Warning: ‘t199’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3084:41: 3084 | t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, t2002, & | ^ note: ‘t199’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5250:56: 5250 | t5722 = 0.1111111111e0_dp*t165*t689*t1988 | ^ Warning: ‘t1988’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3084:35: 3084 | t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, t2002, & | ^ note: ‘t1988’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4798:66: 4798 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 | ^ Warning: ‘t1981’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3084:14: 3084 | t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, t2002, & | ^ note: ‘t1981’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5129:43: 5129 | t5421 = t657*t1884*t59*t1975 | ^ Warning: ‘t1975’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3083:83: 3083 | t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, t1980, & | ^ note: ‘t1975’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5528:70: 5528 | + t5619 + t5622 - t5625 - t5628 + t5631 + t5716 | ^ Warning: ‘t1974’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3083:76: 3083 | t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, t1980, & | ^ note: ‘t1974’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5488:54: 5488 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t1973’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3083:69: 3083 | t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, t1980, & | ^ note: ‘t1973’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5403:63: 5403 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 | ^ Warning: ‘t1972’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3083:62: 3083 | t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, t1980, & | ^ note: ‘t1972’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5403:63: 5403 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 | ^ Warning: ‘t1971’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3083:55: 3083 | t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, t1980, & | ^ note: ‘t1971’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5393:57: 5393 | t6087 = 0.1666666667e0_dp*t429*t1966*t1410 | ^ Warning: ‘t1966’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3083:41: 3083 | t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, t1980, & | ^ note: ‘t1966’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5077:68: 5077 | *t462*t4729 + 0.3333333334e0_dp*t55*t57*t5276 | ^ Warning: ‘t1962’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3083:27: 3083 | t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, t1980, & | ^ note: ‘t1962’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3549:87: 3549 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 | ^ Warning: ‘t196’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3083:13: 3083 | t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, t1980, & | ^ note: ‘t196’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3460:30: 3460 | t520 = t195*t25 | ^ Warning: ‘t195’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3082:75: 3082 | REAL(kind=dp) :: t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, t1958, & | ^ note: ‘t195’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4814:44: 4814 | + (2*t147*t1284*t672) | ^ Warning: ‘t1940’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3082:55: 3082 | REAL(kind=dp) :: t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, t1958, & | ^ note: ‘t1940’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3462:36: 3462 | t527 = t194*t187*t526 | ^ Warning: ‘t194’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3082:48: 3082 | REAL(kind=dp) :: t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, t1958, & | ^ note: ‘t194’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4806:41: 4806 | *t1246*t3244*t1483 | ^ Warning: ‘t1932’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3082:28: 3082 | REAL(kind=dp) :: t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, t1958, & | ^ note: ‘t1932’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5413:38: 5413 | t6138 = t429*t1928*t593 | ^ Warning: ‘t1928’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3081:62: 3081 | t1914, t1917, t192, t1920, t1923, t1924, t1925, t1928 | ^ note: ‘t1928’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5414:38: 5414 | t6141 = t658*t575*t1925 | ^ Warning: ‘t1925’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3081:55: 3081 | t1914, t1917, t192, t1920, t1923, t1924, t1925, t1928 | ^ note: ‘t1925’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4823:58: 4823 | + 0.3333333334e0_dp*t165*t437*t1688 | ^ Warning: ‘t1924’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3081:48: 3081 | t1914, t1917, t192, t1920, t1923, t1924, t1925, t1928 | ^ note: ‘t1924’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5328:38: 5328 | t5938 = t192*t728*t1505 | ^ Warning: ‘t192’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3081:27: 3081 | t1914, t1917, t192, t1920, t1923, t1924, t1925, t1928 | ^ note: ‘t192’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4695:34: 4695 | t1320*t1483 | ^ Warning: ‘t1912’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3080:95: 3080 | t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, t1912, & | ^ note: ‘t1912’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4695:34: 4695 | t1320*t1483 | ^ Warning: ‘t1902’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3080:74: 3080 | t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, t1912, & | ^ note: ‘t1902’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5488:54: 5488 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3080:60: 3080 | t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, t1912, & | ^ note: ‘t19’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5228:58: 5228 | t5666 = 0.1125000000e2_dp*t1302*t1892*t1410 | ^ Warning: ‘t1892’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3080:41: 3080 | t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, t1912, & | ^ note: ‘t1892’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3453:30: 3453 | t503 = t189*t67 | ^ Warning: ‘t189’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3080:27: 3080 | t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, t1912, & | ^ note: ‘t189’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4814:44: 4814 | + (2*t147*t1284*t672) | ^ Warning: ‘t1886’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3080:21: 3080 | t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, t1912, & | ^ note: ‘t1886’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5481:36: 5481 | t5011 + t5001 | ^ Warning: ‘t1885’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3080:14: 3080 | t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, t1912, & | ^ note: ‘t1885’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5129:43: 5129 | t5421 = t657*t1884*t59*t1975 | ^ Warning: ‘t1884’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3079:97: 3079 | t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, t1884, & | ^ note: ‘t1884’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4842:60: 4842 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t1875’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3079:76: 3079 | t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, t1884, & | ^ note: ‘t1875’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3534:30: 3534 | t707 = t187*t59 | ^ Warning: ‘t187’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3079:55: 3079 | t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, t1884, & | ^ note: ‘t187’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5404:58: 5404 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865 | ^ Warning: ‘t1865’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3079:42: 3079 | t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, t1884, & | ^ note: ‘t1865’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4807:32: 4807 | t4498 = t56*t1843 | ^ Warning: ‘t1843’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3078:83: 3078 | t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, t1852, & | ^ note: ‘t1843’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5357:33: 5357 | t6006 = t719*t1838 | ^ Warning: ‘t1838’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3078:69: 3078 | t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, t1852, & | ^ note: ‘t1838’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4719:70: 4719 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 | ^ Warning: ‘t1837’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3078:62: 3078 | t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, t1852, & | ^ note: ‘t1837’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5314:42: 5314 | t5908 = t1836*t59*t177*t710 | ^ Warning: ‘t1836’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3078:55: 3078 | t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, t1852, & | ^ note: ‘t1836’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4439:76: 4439 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ Warning: ‘t183’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3078:34: 3078 | t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, t1852, & | ^ note: ‘t183’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5276:40: 5276 | t5797 = t1373*t1962*t1829 | ^ Warning: ‘t1829’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3078:28: 3078 | t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, t1852, & | ^ note: ‘t1829’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5122:57: 5122 | t5400 = 0.3333333334e0_dp*t445*t1962*t1825 | ^ Warning: ‘t1825’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3078:14: 3078 | t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, t1852, & | ^ note: ‘t1825’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4747:29: 4747 | *t3382 | ^ Warning: ‘t1821’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3077:81: 3077 | t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, t1824, & | ^ note: ‘t1821’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4439:76: 4439 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ Warning: ‘t182’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3077:74: 3077 | t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, t1824, & | ^ note: ‘t182’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4737:39: 4737 | *t478*t183*t3918 | ^ Warning: ‘t1811’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3077:54: 3077 | t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, t1824, & | ^ note: ‘t1811’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5280:58: 5280 | t5810 = 0.1080000000e3_dp*t1143*t1801*t1410 | ^ Warning: ‘t1801’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3077:26: 3077 | t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, t1824, & | ^ note: ‘t1801’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5481:36: 5481 | t5011 + t5001 | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3077:12: 3077 | t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, t1824, & | ^ note: ‘t18’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5332:52: 5332 | t5949 = 0.8999999998e1_dp*t1795*t4909 | ^ Warning: ‘t1795’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3076:90: 3076 | t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, t1797, & | ^ note: ‘t1795’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5340:34: 5340 | t5966 = t1785*t1790 | ^ Warning: ‘t1790’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3076:76: 3076 | t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, t1797, & | ^ note: ‘t1790’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5340:34: 5340 | t5966 = t1785*t1790 | ^ Warning: ‘t1785’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3076:55: 3076 | t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, t1797, & | ^ note: ‘t1785’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5387:51: 5387 | t6078 = 0.1111111112e0_dp*t719*t1782 | ^ Warning: ‘t1782’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3076:41: 3076 | t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, t1797, & | ^ note: ‘t1782’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5356:38: 5356 | t6004 = t1709*t178*t710 | ^ Warning: ‘t178’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3076:34: 3076 | t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, t1797, & | ^ note: ‘t178’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5358:52: 5358 | t6009 = 0.5000000001e0_dp*t1777*t4908 | ^ Warning: ‘t1777’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3076:21: 3076 | t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, t1797, & | ^ note: ‘t1777’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5350:52: 5350 | t5985 = 0.5000000001e0_dp*t1774*t4908 | ^ Warning: ‘t1774’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3075:96: 3075 | REAL(kind=dp) :: t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, t1774, & | ^ note: ‘t1774’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3535:31: 3535 | t708 = t707*t177 | ^ Warning: ‘t177’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3075:82: 3075 | REAL(kind=dp) :: t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, t1774, & | ^ note: ‘t177’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5308:33: 5308 | t5885 = t719*t1769 | ^ Warning: ‘t1769’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3075:76: 3075 | REAL(kind=dp) :: t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, t1774, & | ^ note: ‘t1769’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5382:40: 5382 | t6060 = t1766*t5881*t4940 | ^ Warning: ‘t1766’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3075:62: 3075 | REAL(kind=dp) :: t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, t1774, & | ^ note: ‘t1766’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5375:52: 5375 | t6044 = 0.2000000002e1_dp*t1763*t5956 | ^ Warning: ‘t1763’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3075:48: 3075 | REAL(kind=dp) :: t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, t1774, & | ^ note: ‘t1763’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3722:30: 3722 | t1140 = t176**2 | ^ Warning: ‘t176’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3075:27: 3075 | REAL(kind=dp) :: t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, t1774, & | ^ note: ‘t176’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4774:64: 4774 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t1755’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3074:56: 3074 | t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757, t1758 | ^ note: ‘t1755’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5369:72: 5369 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 | ^ Warning: ‘t1748’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3074:35: 3074 | t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757, t1758 | ^ note: ‘t1748’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4782:66: 4782 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t1745’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3074:28: 3074 | t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757, t1758 | ^ note: ‘t1745’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5334:52: 5334 | t5954 = 0.8999999998e1_dp*t1741*t4909 | ^ Warning: ‘t1741’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3074:14: 3074 | t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757, t1758 | ^ note: ‘t1741’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5326:57: 5326 | t5929 = 0.2250000000e2_dp*t1740*t471*t4905 | ^ Warning: ‘t1740’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3073:97: 3073 | t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, t1737, t1740, & | ^ note: ‘t1740’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4768:67: 4768 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1737’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3073:90: 3073 | t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, t1737, t1740, & | ^ note: ‘t1737’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4775:32: 4775 | t4352 = t1731*t67 | ^ Warning: ‘t1731’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3073:76: 3073 | t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, t1737, t1740, & | ^ note: ‘t1731’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5360:52: 5360 | t6019 = 0.7407407410e-1_dp*t719*t1726 | ^ Warning: ‘t1726’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3073:55: 3073 | t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, t1737, t1740, & | ^ note: ‘t1726’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5392:37: 5392 | *t6075 - t6078 | ^ Warning: ‘t1722’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3073:41: 3073 | t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, t1737, t1740, & | ^ note: ‘t1722’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5383:52: 5383 | t6063 = 0.1000000000e1_dp*t1720*t5956 | ^ Warning: ‘t1720’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3073:34: 3073 | t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, t1737, t1740, & | ^ note: ‘t1720’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3554:70: 3554 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 | ^ Warning: ‘t172’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3073:27: 3073 | t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, t1737, t1740, & | ^ note: ‘t172’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5312:56: 5312 | t5902 = 0.1800000000e2_dp*t1718*t178*t710 | ^ Warning: ‘t1718’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3073:14: 3073 | t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, t1737, t1740, & | ^ note: ‘t1718’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5339:34: 5339 | t5964 = t1715*t1525 | ^ Warning: ‘t1715’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3072:89: 3072 | t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, t1715, t1717, & | ^ note: ‘t1715’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4768:67: 4768 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1712’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3072:75: 3072 | t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, t1715, t1717, & | ^ note: ‘t1712’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3479:26: 3479 | t537 | ^ Warning: ‘t171’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3072:68: 3072 | t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, t1715, t1717, & | ^ note: ‘t171’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5356:38: 5356 | t6004 = t1709*t178*t710 | ^ Warning: ‘t1709’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3072:62: 3072 | t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, t1715, t1717, & | ^ note: ‘t1709’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4859:42: 4859 | *t83*t45*t3581*t140 | ^ Warning: ‘t1706’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3072:48: 3072 | t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, t1715, t1717, & | ^ note: ‘t1706’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4665:39: 4665 | *t165*t3865*t237 | ^ Warning: ‘t1703’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3072:34: 3072 | t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, t1715, t1717, & | ^ note: ‘t1703’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4651:71: 4651 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 | ^ Warning: ‘t1700’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3072:20: 3072 | t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, t1715, t1717, & | ^ note: ‘t1700’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5255:61: 5255 | t5738 = 0.4444444445e0_dp*t170*t114*t4782*t451 | ^ Warning: ‘t170’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3072:13: 3072 | t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, t1715, t1717, & | ^ note: ‘t170’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3479:26: 3479 | t537 | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3071:96: 3071 | t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, t1699, t17, & | ^ note: ‘t17’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4859:42: 4859 | *t83*t45*t3581*t140 | ^ Warning: ‘t1694’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3071:77: 3071 | t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, t1699, t17, & | ^ note: ‘t1694’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4651:71: 4651 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 | ^ Warning: ‘t1689’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3071:63: 3071 | t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, t1699, t17, & | ^ note: ‘t1689’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5426:37: 5426 | t6175 = t83*t597*t1688 | ^ Warning: ‘t1688’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3071:56: 3071 | t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, t1699, t17, & | ^ note: ‘t1688’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5191:33: 5191 | t5565 = t112*t1685 | ^ Warning: ‘t1685’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3071:49: 3071 | t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, t1699, t17, & | ^ note: ‘t1685’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5175:43: 5175 | t5528 = t102*t327*t1684*t557 | ^ Warning: ‘t1684’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3071:42: 3071 | t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, t1699, t17, & | ^ note: ‘t1684’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5164:38: 5164 | t5496 = t366*t368*t1681 | ^ Warning: ‘t1681’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3071:35: 3071 | t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, t1699, t17, & | ^ note: ‘t1681’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5169:38: 5169 | t5511 = t1680*t3673*t23 | ^ Warning: ‘t1680’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3071:28: 3071 | t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, t1699, t17, & | ^ note: ‘t1680’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5163:49: 5163 | t5494 = 0.6400000000e2_dp*t7*t1677 | ^ Warning: ‘t1677’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3071:14: 3071 | t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, t1699, t17, & | ^ note: ‘t1677’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5165:44: 5165 | t5499 = 0.120e2_dp*t550*t1669 | ^ Warning: ‘t1669’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3070:82: 3070 | t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, t1675, & | ^ note: ‘t1669’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5167:52: 5167 | t5507 = 0.120e2_dp*t7*t640*t1667*t371 | ^ Warning: ‘t1667’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3070:75: 3070 | t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, t1675, & | ^ note: ‘t1667’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3479:26: 3479 | t537 | ^ Warning: ‘t166’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3070:47: 3070 | t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, t1675, & | ^ note: ‘t166’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5161:52: 5161 | t5489 = 0.1600000000e2_dp*t1429*t1658 | ^ Warning: ‘t1658’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3070:41: 3070 | t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, t1675, & | ^ note: ‘t1658’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5160:54: 5160 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 | ^ Warning: ‘t1652’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3070:20: 3070 | t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, t1675, & | ^ note: ‘t1652’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5271:57: 5271 | t5783 = 0.5555555557e-1_dp*t165*t5013*t433 | ^ Warning: ‘t165’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3070:13: 3070 | t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, t1675, & | ^ note: ‘t165’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4933:56: 4933 | t102*t4838 - 0.20e1_dp*t102*t4850 | ^ Warning: ‘t1645’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3069:83: 3069 | t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, t1649, & | ^ note: ‘t1645’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5158:49: 5158 | t5482 = 0.2160000000e3_dp*t7*t1642 | ^ Warning: ‘t1642’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3069:69: 3069 | t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, t1649, & | ^ note: ‘t1642’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5024:66: 5024 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t1640’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3069:62: 3069 | t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, t1649, & | ^ note: ‘t1640’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3432:31: 3432 | t445 = t164*t444 | ^ Warning: ‘t164’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3069:55: 3069 | t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, t1649, & | ^ note: ‘t164’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5177:44: 5177 | t5533 = 0.160e2_dp*t112*t1632 | ^ Warning: ‘t1632’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3069:28: 3069 | t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, t1649, & | ^ note: ‘t1632’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t1631’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3069:21: 3069 | t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, t1649, & | ^ note: ‘t1631’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5176:44: 5176 | t5531 = 0.160e2_dp*t112*t1626 | ^ Warning: ‘t1626’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3068:84: 3068 | REAL(kind=dp) :: t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, t1628, & | ^ note: ‘t1626’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: 4629 | *t321*t953*t1625 | ^ Warning: ‘t1625’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3068:77: 3068 | REAL(kind=dp) :: t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, t1628, & | ^ note: ‘t1625’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5179:44: 5179 | t5537 = 0.160e2_dp*t112*t1622 | ^ Warning: ‘t1622’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3068:63: 3068 | REAL(kind=dp) :: t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, t1628, & | ^ note: ‘t1622’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: 4629 | *t321*t953*t1625 | ^ Warning: ‘t1621’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3068:56: 3068 | REAL(kind=dp) :: t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, t1628, & | ^ note: ‘t1621’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5142:47: 5142 | t5446 = 0.480e2_dp*t24*t23*t1618 | ^ Warning: ‘t1618’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3068:42: 3068 | REAL(kind=dp) :: t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, t1628, & | ^ note: ‘t1618’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: 4629 | *t321*t953*t1625 | ^ Warning: ‘t1617’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3068:35: 3068 | REAL(kind=dp) :: t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, t1628, & | ^ note: ‘t1617’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: 4637 | *t339*t969 | ^ Warning: ‘t1616’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3068:28: 3068 | REAL(kind=dp) :: t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, t1628, & | ^ note: ‘t1616’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5174:51: 5174 | t5525 = 0.2133333334e2_dp*t339*t1611 | ^ Warning: ‘t1611’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3067:62: 3067 | t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613, t1615 | ^ note: ‘t1611’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4213:46: 4213 | - t1994 + t1997 - t2000 | ^ Warning: ‘t161’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3067:48: 3067 | t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613, t1615 | ^ note: ‘t161’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5155:51: 5155 | t5474 = 0.4266666668e2_dp*t339*t1608 | ^ Warning: ‘t1608’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3067:42: 3067 | t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613, t1615 | ^ note: ‘t1608’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5144:44: 5144 | t5451 = 0.640e2_dp*t605*t1603 | ^ Warning: ‘t1603’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3067:21: 3067 | t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613, t1615 | ^ note: ‘t1603’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: 4603 | *t3339 | ^ Warning: ‘t1602’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3067:14: 3067 | t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613, t1615 | ^ note: ‘t1602’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3413:31: 3413 | t394 = t393*t160 | ^ Warning: ‘t160’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3066:88: 3066 | t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, t1601, & | ^ note: ‘t160’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3852:46: 3852 | t1439 = 0.1e1_dp/t787/t16*t1438 | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3066:82: 3066 | t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, t1601, & | ^ note: ‘t16’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5185:49: 5185 | t5551 = 0.1280e3_dp*t24*t298*t1599 | ^ Warning: ‘t1599’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3066:77: 3066 | t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, t1601, & | ^ note: ‘t1599’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t1598’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3066:70: 3066 | t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, t1601, & | ^ note: ‘t1598’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4643:70: 4643 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t1597’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3066:63: 3066 | t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, t1601, & | ^ note: ‘t1597’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5188:52: 5188 | t5560 = 0.2346666666e3_dp*t1589*t1592 | ^ Warning: ‘t1592’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3066:42: 3066 | t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, t1601, & | ^ note: ‘t1592’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4637:33: 4637 | *t339*t969 | ^ Warning: ‘t1589’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3066:28: 3066 | t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, t1601, & | ^ note: ‘t1589’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5146:46: 5146 | t5456 = 0.1280e3_dp*t1582*t1426 | ^ Warning: ‘t1582’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3065:84: 3065 | t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, t1584, & | ^ note: ‘t1582’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4859:42: 4859 | *t83*t45*t3581*t140 | ^ Warning: ‘t1575’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3065:56: 3065 | t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, t1584, & | ^ note: ‘t1575’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5424:56: 5424 | t6170 = 0.3333333336e0_dp*t289*t597*t1571 | ^ Warning: ‘t1571’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3065:42: 3065 | t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, t1584, & | ^ note: ‘t1571’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4665:39: 4665 | *t165*t3865*t237 | ^ Warning: ‘t1568’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3065:28: 3065 | t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, t1584, & | ^ note: ‘t1568’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4665:39: 4665 | *t165*t3865*t237 | ^ Warning: ‘t1565’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3065:21: 3065 | t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, t1584, & | ^ note: ‘t1565’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5428:38: 5428 | t6181 = t289*t1564*t593 | ^ Warning: ‘t1564’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3065:14: 3065 | t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, t1584, & | ^ note: ‘t1564’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4405:65: 4405 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 | ^ Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3064:82: 3064 | t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, t1563, & | ^ note: ‘t156’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5438:56: 5438 | t6201 = 0.3333333336e0_dp*t289*t597*t1557 | ^ Warning: ‘t1557’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3064:76: 3064 | t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, t1563, & | ^ note: ‘t1557’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5429:56: 5429 | t6185 = 0.3333333336e0_dp*t289*t597*t1553 | ^ Warning: ‘t1553’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3064:62: 3064 | t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, t1563, & | ^ note: ‘t1553’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4393:39: 4393 | *t400*t401*t2230 | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3064:48: 3064 | t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, t1563, & | ^ note: ‘t155’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4651:71: 4651 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 | ^ Warning: ‘t1547’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3064:35: 3064 | t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, t1563, & | ^ note: ‘t1547’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4851:39: 4851 | *t289*t294*t1553 | ^ Warning: ‘t1546’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3064:28: 3064 | t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, t1563, & | ^ note: ‘t1546’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: 4870 | t3869 + t4657 + t4696) | ^ Warning: ‘t1536’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3063:84: 3063 | t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, t1541, & | ^ note: ‘t1536’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4936:42: 4936 | t4864 = t217*t46*t1535*t561 | ^ Warning: ‘t1535’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3063:77: 3063 | t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, t1541, & | ^ note: ‘t1535’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4842:60: 4842 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t1531’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3063:70: 3063 | t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, t1541, & | ^ note: ‘t1531’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4964:52: 4964 | t4932 = 0.5000000001e0_dp*t1528*t4908 | ^ Warning: ‘t1528’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3063:56: 3063 | t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, t1541, & | ^ note: ‘t1528’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4972:33: 4972 | t4952 = t719*t1525 | ^ Warning: ‘t1525’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3063:49: 3063 | t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, t1541, & | ^ note: ‘t1525’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5384:42: 5384 | t6066 = t1519*t705*t561*t65 | ^ Warning: ‘t1519’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3063:35: 3063 | t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, t1541, & | ^ note: ‘t1519’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5361:39: 5361 | t6021 = t649*t1518*t1722 | ^ Warning: ‘t1518’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3063:28: 3063 | t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, t1541, & | ^ note: ‘t1518’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4962:52: 4962 | t4925 = 0.5000000001e0_dp*t1513*t4908 | ^ Warning: ‘t1513’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3062:94: 3062 | t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, t1513, & | ^ note: ‘t1513’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4755:41: 4755 | t192*t68*t4256*t65 | ^ Warning: ‘t1510’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3062:80: 3062 | t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, t1513, & | ^ note: ‘t1510’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4167:80: 4167 | + t1482 + t1479 - t1489 + 0.3333333334e0_dp*t55*t57*t2042 | ^ Warning: ‘t151’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3062:73: 3062 | t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, t1513, & | ^ note: ‘t151’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4956:52: 4956 | t4911 = 0.8999999998e1_dp*t1507*t4909 | ^ Warning: ‘t1507’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3062:60: 3062 | t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, t1513, & | ^ note: ‘t1507’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4953:57: 4953 | t4907 = 0.2250000000e2_dp*t1506*t471*t4905 | ^ Warning: ‘t1506’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3062:53: 3062 | t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, t1513, & | ^ note: ‘t1506’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5328:38: 5328 | t5938 = t192*t728*t1505 | ^ Warning: ‘t1505’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3062:46: 3062 | t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, t1513, & | ^ note: ‘t1505’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5378:37: 5378 | t6052 = t1504*t561*t65 | ^ Warning: ‘t1504’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3062:39: 3062 | t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, t1513, & | ^ note: ‘t1504’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4946:39: 4946 | t4895 = t478*t1500*t4729 | ^ Warning: ‘t1500’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3062:25: 3062 | t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, t1513, & | ^ note: ‘t1500’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4516:85: 4516 | + t3288) | ^ Warning: ‘t150’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3062:18: 3062 | t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, t1513, & | ^ note: ‘t150’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4943:57: 4943 | t4887 = 0.1800000000e2_dp*t473*t1493*t4729 | ^ Warning: ‘t1493’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3061:83: 3061 | REAL(kind=dp) :: t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, t1498, & | ^ note: ‘t1493’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3342:31: 3342 | t250 = t149*t249 | ^ Warning: ‘t149’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3061:69: 3061 | REAL(kind=dp) :: t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, t1498, & | ^ note: ‘t149’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5405:59: 5405 | t6112 = 0.5555555556e-1_dp*t1246*t4553*t1483 | ^ Warning: ‘t1483’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3061:49: 3061 | REAL(kind=dp) :: t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, t1498, & | ^ note: ‘t1483’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5005:38: 5005 | + t5032 + t5035 | ^ Warning: ‘t1471’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3060:74: 3060 | t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470, t1471 | ^ note: ‘t1471’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4555:38: 4555 | t165*t171*t3449 | ^ Warning: ‘t1470’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3060:67: 3060 | t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470, t1471 | ^ note: ‘t1470’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5005:38: 5005 | + t5032 + t5035 | ^ Warning: ‘t1466’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3060:54: 3060 | t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470, t1471 | ^ note: ‘t1466’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5005:38: 5005 | + t5032 + t5035 | ^ Warning: ‘t1459’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3060:41: 3060 | t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470, t1471 | ^ note: ‘t1459’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5558:32: 5558 | t6557 = t1447*t59 | ^ Warning: ‘t1447’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3060:14: 3060 | t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470, t1471 | ^ note: ‘t1447’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5178:45: 5178 | t5535 = 0.640e2_dp*t1582*t1444 | ^ Warning: ‘t1444’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3059:97: 3059 | t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, t1444, & | ^ note: ‘t1444’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5197:53: 5197 | t5579 = 0.80e1_dp*t102*t327*t645*t1443 | ^ Warning: ‘t1443’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3059:90: 3059 | t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, t1444, & | ^ note: ‘t1443’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4927:59: 4927 | - 0.2400000000e2_dp*t786/t2492*t1058 | ^ Warning: ‘t1440’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3059:83: 3059 | t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, t1444, & | ^ note: ‘t1440’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4851:39: 4851 | *t289*t294*t1553 | ^ Warning: ‘t144’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3059:76: 3059 | t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, t1444, & | ^ note: ‘t144’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4614:34: 4614 | t3679 = t2565*t1439 | ^ Warning: ‘t1439’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3059:70: 3059 | t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, t1444, & | ^ note: ‘t1439’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5024:66: 5024 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t1438’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3059:63: 3059 | t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, t1444, & | ^ note: ‘t1438’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t1429’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3059:49: 3059 | t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, t1444, & | ^ note: ‘t1429’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5146:46: 5146 | t5456 = 0.1280e3_dp*t1582*t1426 | ^ Warning: ‘t1426’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3059:42: 3059 | t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, t1444, & | ^ note: ‘t1426’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5156:55: 5156 | t5478 = 0.240e2_dp*t1616*t973*t645*t1425 | ^ Warning: ‘t1425’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3059:35: 3059 | t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, t1444, & | ^ note: ‘t1425’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5151:51: 5151 | t5468 = 0.2346666666e3_dp*t605*t1420 | ^ Warning: ‘t1420’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3059:28: 3059 | t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, t1444, & | ^ note: ‘t1420’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: 4870 | t3869 + t4657 + t4696) | ^ Warning: ‘t1411’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3058:94: 3058 | t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, t1411, & | ^ note: ‘t1411’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5416:58: 5416 | t6155 = 0.2500000000e0_dp*t1981*t4032*t1410 | ^ Warning: ‘t1410’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3058:87: 3058 | t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, t1411, & | ^ note: ‘t1410’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3485:108: 3485 | t46*t541))*sx | ^ Warning: ‘t141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3058:80: 3058 | t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, t1411, & | ^ note: ‘t141’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4870:96: 4870 | t3869 + t4657 + t4696) | ^ Warning: ‘t1409’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3058:74: 3058 | t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, t1411, & | ^ note: ‘t1409’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3554:70: 3554 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 | ^ Warning: ‘t140’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3058:46: 3058 | t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, t1411, & | ^ note: ‘t140’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4497:80: 4497 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3058:40: 3058 | t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, t1411, & | ^ note: ‘t14’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5213:57: 5213 | t5622 = 0.1666666667e0_dp*t165*t1392*t4729 | ^ Warning: ‘t1392’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3058:21: 3058 | t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, t1411, & | ^ note: ‘t1392’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4814:44: 4814 | + (2*t147*t1284*t672) | ^ Warning: ‘t1388’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3058:14: 3058 | t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, t1411, & | ^ note: ‘t1388’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4842:60: 4842 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t1387’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3057:96: 3057 | t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, t1387, & | ^ note: ‘t1387’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4806:41: 4806 | *t1246*t3244*t1483 | ^ Warning: ‘t1377’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3057:89: 3057 | t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, t1387, & | ^ note: ‘t1377’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5138:39: 5138 | t5432 = t1373*t446*t5430 | ^ Warning: ‘t1373’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3057:82: 3057 | t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, t1387, & | ^ note: ‘t1373’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5031:34: 5031 | *t105*t5118 | ^ Warning: ‘t137’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3057:68: 3057 | t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, t1387, & | ^ note: ‘t137’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4555:38: 4555 | t165*t171*t3449 | ^ Warning: ‘t1368’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3057:62: 3057 | t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, t1387, & | ^ note: ‘t1368’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4823:58: 4823 | + 0.3333333334e0_dp*t165*t437*t1688 | ^ Warning: ‘t1360’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3057:48: 3057 | t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, t1387, & | ^ note: ‘t1360’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3378:31: 3378 | t328 = t136*t233 | ^ Warning: ‘t136’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3057:41: 3057 | t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, t1387, & | ^ note: ‘t136’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4798:66: 4798 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 | ^ Warning: ‘t1348’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3057:35: 3057 | t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, t1387, & | ^ note: ‘t1348’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4682:40: 4682 | *t400*t1333*t1410 | ^ Warning: ‘t1340’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3057:21: 3057 | t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, t1387, & | ^ note: ‘t1340’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5220:57: 5220 | t5641 = 0.1500000000e1_dp*t405*t1333*t4729 | ^ Warning: ‘t1333’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3057:14: 3057 | t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, t1387, & | ^ note: ‘t1333’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3517:73: 3517 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:92: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t133’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4695:34: 4695 | t1320*t1483 | ^ Warning: ‘t1320’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:86: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t1320’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3517:73: 3517 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t132’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:79: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t132’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4695:34: 4695 | t1320*t1483 | ^ Warning: ‘t1316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:73: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t1316’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4308:43: 4308 | t2565 = t126/t131/t1056/t130 | ^ Warning: ‘t131’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:66: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t131’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5231:57: 5231 | t5670 = 0.2250000000e1_dp*t400*t1309*t4729 | ^ Warning: ‘t1309’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:60: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t1309’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5235:57: 5235 | t5679 = 0.1875000000e1_dp*t1302*t406*t5002 | ^ Warning: ‘t1302’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:53: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t1302’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4672:33: 4672 | t3939 = t1301*t245 | ^ Warning: ‘t1301’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:46: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t1301’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5488:54: 5488 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t1300’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:39: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t1300’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4308:43: 4308 | t2565 = t126/t131/t1056/t130 | ^ Warning: ‘t130’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:32: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t130’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3580:44: 3580 | t796 = 0.1e1_dp/t787/t13*t795 | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:26: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t13’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5136:57: 5136 | t5429 = 0.1666666667e0_dp*t445*t1292*t5143 | ^ Warning: ‘t1292’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3056:21: 3056 | t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & | ^ note: ‘t1292’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4814:44: 4814 | + (2*t147*t1284*t672) | ^ Warning: ‘t1284’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3055:96: 3055 | t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, t1284, & | ^ note: ‘t1284’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4791:39: 4791 | *t429*t1928*t290 | ^ Warning: ‘t1283’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3055:89: 3055 | t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, t1284, & | ^ note: ‘t1283’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4833:71: 4833 | *t3507 - t3512)*t149*t160 | ^ Warning: ‘t1275’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3055:82: 3055 | t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, t1284, & | ^ note: ‘t1275’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4798:66: 4798 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 | ^ Warning: ‘t1264’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3055:68: 3055 | t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, t1284, & | ^ note: ‘t1264’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3517:73: 3517 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3055:61: 3055 | t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, t1284, & | ^ note: ‘t126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5269:59: 5269 | t5776 = 0.2777777778e-1_dp*t1246*t1247*t5009 | ^ Warning: ‘t1247’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3055:48: 3055 | t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, t1284, & | ^ note: ‘t1247’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5269:59: 5269 | t5776 = 0.2777777778e-1_dp*t1246*t1247*t5009 | ^ Warning: ‘t1246’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3055:41: 3055 | t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, t1284, & | ^ note: ‘t1246’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4782:66: 4782 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t1235’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3055:20: 3055 | t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, t1284, & | ^ note: ‘t1235’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4439:76: 4439 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ Warning: ‘t123’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3055:13: 3055 | t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, t1284, & | ^ note: ‘t123’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t1224’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3054:95: 3054 | REAL(kind=dp) :: t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, t1224, & | ^ note: ‘t1224’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4768:67: 4768 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1221’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3054:88: 3054 | REAL(kind=dp) :: t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, t1224, & | ^ note: ‘t1221’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3391:81: 3391 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 | ^ Warning: ‘t122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3054:81: 3054 | REAL(kind=dp) :: t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, t1224, & | ^ note: ‘t122’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4774:64: 4774 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t1216’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3054:75: 3054 | REAL(kind=dp) :: t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, t1224, & | ^ note: ‘t1216’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4755:41: 4755 | t192*t68*t4256*t65 | ^ Warning: ‘t1213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3054:68: 3054 | REAL(kind=dp) :: t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, t1224, & | ^ note: ‘t1213’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4726:37: 4726 | *t58*t3796*t71 | ^ Warning: ‘t1207’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3054:54: 3054 | REAL(kind=dp) :: t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, t1224, & | ^ note: ‘t1207’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4768:67: 4768 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1201’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3054:40: 3054 | REAL(kind=dp) :: t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, t1224, & | ^ note: ‘t1201’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t1200’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3054:33: 3054 | REAL(kind=dp) :: t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, t1224, & | ^ note: ‘t1200’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4575:35: 4575 | t3546 = 0.1e1_dp/t12 | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3054:26: 3054 | REAL(kind=dp) :: t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, t1224, & | ^ note: ‘t12’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4782:66: 4782 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t1194’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3053:76: 3053 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193, t1194 | ^ note: ‘t1194’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4712:66: 4712 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 | ^ Warning: ‘t1193’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3053:69: 3053 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193, t1194 | ^ note: ‘t1193’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4782:66: 4782 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t1192’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3053:62: 3053 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193, t1194 | ^ note: ‘t1192’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: 4613 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3053:48: 3053 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193, t1194 | ^ note: ‘t119’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4782:66: 4782 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t1189’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3053:42: 3053 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193, t1194 | ^ note: ‘t1189’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4747:29: 4747 | *t3382 | ^ Warning: ‘t1176’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3053:35: 3053 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193, t1194 | ^ note: ‘t1176’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4806:41: 4806 | *t1246*t3244*t1483 | ^ Warning: ‘t1172’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3053:28: 3053 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193, t1194 | ^ note: ‘t1172’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4806:41: 4806 | *t1246*t3244*t1483 | ^ Warning: ‘t1168’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3053:21: 3053 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193, t1194 | ^ note: ‘t1168’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4737:39: 4737 | *t478*t183*t3918 | ^ Warning: ‘t1161’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3053:14: 3053 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193, t1194 | ^ note: ‘t1161’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3517:73: 3517 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:95: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t116’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4747:29: 4747 | *t3382 | ^ Warning: ‘t1157’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:89: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1157’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5300:57: 5300 | t5864 = 0.1800000000e2_dp*t473*t1150*t4729 | ^ Warning: ‘t1150’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:82: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1150’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3959:50: 3959 | t1636 = 0.5600000000e2_dp*t624*t115 | ^ Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:75: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t115’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5277:57: 5277 | t5801 = 0.3600000000e2_dp*t1143*t479*t5002 | ^ Warning: ‘t1143’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:69: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1143’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4738:33: 4738 | t4230 = t1142*t262 | ^ Warning: ‘t1142’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:62: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1142’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5385:63: 5385 | t6074 = 0.8099999996e2_dp*t496*t4769*t1141*t4915 | ^ Warning: ‘t1141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:55: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1141’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3391:81: 3391 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 | ^ Warning: ‘t114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:41: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t114’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t1137’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:35: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1137’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t1134’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:28: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1134’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4774:64: 4774 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t1129’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:21: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1129’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4726:37: 4726 | *t58*t3796*t71 | ^ Warning: ‘t1126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3052:14: 3052 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4768:67: 4768 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:95: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1125’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4762:66: 4762 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t1122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:88: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1122’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5191:33: 5191 | t5565 = t112*t1685 | ^ Warning: ‘t112’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:81: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t112’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4768:67: 4768 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:75: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1119’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4726:37: 4726 | *t58*t3796*t71 | ^ Warning: ‘t1111’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:68: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1111’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4774:64: 4774 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t1109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:61: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1109’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4712:66: 4712 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 | ^ Warning: ‘t1106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:54: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1106’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4755:41: 4755 | t192*t68*t4256*t65 | ^ Warning: ‘t1101’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:47: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1101’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4842:60: 4842 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t1100’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:40: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1100’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3380:30: 3380 | t332 = t11*t114 | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:33: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t11’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4755:41: 4755 | t192*t68*t4256*t65 | ^ Warning: ‘t1097’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:21: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1097’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4842:60: 4842 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t1093’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3051:14: 3051 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1093’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4806:41: 4806 | *t1246*t3244*t1483 | ^ Warning: ‘t1085’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3050:89: 3050 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1085’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3512:42: 3512 | t635 = -4*t108 + 4*t332*rho | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3050:75: 3050 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t108’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5090:57: 5090 | t5311 = 0.1666666668e0_dp*t289*t1071*t4701 | ^ Warning: ‘t1071’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3050:55: 3050 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1071’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3517:73: 3517 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t107’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3050:48: 3050 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t107’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4825:33: 4825 | t4575 = t1067*t561 | ^ Warning: ‘t1067’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3050:35: 3050 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1067’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: 4603 | *t3339 | ^ Warning: ‘t1064’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3050:28: 3050 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1064’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4629:39: 4629 | *t321*t953*t1625 | ^ Warning: ‘t1063’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3050:21: 3050 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1063’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5497:40: 5497 | *t1054*t640*t3679 | ^ Warning: ‘t1060’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3050:14: 3050 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1060’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4233:31: 4233 | t2204 = t10*t106 | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3049:95: 3049 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t106’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4927:59: 4927 | - 0.2400000000e2_dp*t786/t2492*t1058 | ^ Warning: ‘t1058’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3049:82: 3049 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1058’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5172:67: 5172 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 | ^ Warning: ‘t1055’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3049:68: 3049 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1055’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5497:40: 5497 | *t1054*t640*t3679 | ^ Warning: ‘t1054’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3049:61: 3049 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1054’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t1050’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3049:54: 3049 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1050’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3337:31: 3337 | t234 = t105*t233 | ^ Warning: ‘t105’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3049:47: 3049 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t105’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: 4613 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t1046’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3049:41: 3049 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1046’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: 4613 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t1044’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3049:34: 3049 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1044’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3371:30: 3371 | t316 = t97*t104 | ^ Warning: ‘t104’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3049:20: 3049 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t104’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t1036’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3049:14: 3049 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1036’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t1034’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:96: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1034’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t1030’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:82: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1030’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3648:29: 3648 | t972 = t103**2 | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:75: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t103’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t1026’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:69: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1026’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t1024’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:62: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1024’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t1021’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:55: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1021’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:5175:43: 5175 | t5528 = t102*t327*t1684*t557 | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:48: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t102’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4536:32: 4536 | t12*t1058 | ^ Warning: ‘t1014’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:35: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1014’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t1012’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:28: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1012’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4622:40: 4622 | *t786*t1034*t1681 | ^ Warning: ‘t1008’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:21: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1008’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4613:54: 4613 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t1004’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3048:14: 3048 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1004’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:4603:29: 4603 | *t3339 | ^ Warning: ‘t1000’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3047:84: 3047 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t1000, t1002, & | ^ note: ‘t1000’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3667:50: 3667 | t1019 = 0.1e1_dp/t19/t1014*t787*t10 | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:3047:77: 3047 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t1000, t1002, & | ^ note: ‘t10’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1841:54: 1841 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t997’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:30: 400 | t99, t991, t995, t997, xx | ^ note: ‘t997’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2388:54: 2388 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 | ^ Warning: ‘t995’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:24: 400 | t99, t991, t995, t997, xx | ^ note: ‘t995’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1841:54: 1841 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t991’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:18: 400 | t99, t991, t995, t997, xx | ^ note: ‘t991’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2259:34: 2259 | *t105*t5118 | ^ Warning: ‘t99’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:12: 400 | t99, t991, t995, t997, xx | ^ note: ‘t99’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1841:54: 1841 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t987’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:95: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t987’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1831:29: 1831 | *t3339 | ^ Warning: ‘t984’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:89: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t984’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t980’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:77: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t980’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2418:50: 2418 | t5564 = 0.1173333333e3_dp*t5060*t98 | ^ Warning: ‘t98’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:71: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t98’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1865:33: 1865 | *t339*t969 | ^ Warning: ‘t976’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:60: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t976’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1857:39: 1857 | *t321*t953*t1625 | ^ Warning: ‘t974’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:48: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t974’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1865:33: 1865 | *t339*t969 | ^ Warning: ‘t973’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:42: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t973’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:738:30: 738 | t627 = t97*t132 | ^ Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:30: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t97’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1865:33: 1865 | *t339*t969 | ^ Warning: ‘t969’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:25: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t969’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t966’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:19: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t966’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1831:29: 1831 | *t3339 | ^ Warning: ‘t963’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:13: 399 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^ note: ‘t963’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1865:33: 1865 | *t339*t969 | ^ Warning: ‘t962’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:92: 398 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t962’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1831:29: 1831 | *t3339 | ^ Warning: ‘t959’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:86: 398 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t959’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t955’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:74: 398 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t955’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2429:56: 2429 | t5593 = 0.1066666667e2_dp*t321*t953*t5087 | ^ Warning: ‘t953’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:62: 398 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t953’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1865:33: 1865 | *t339*t969 | ^ Warning: ‘t950’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:56: 398 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t950’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:611:38: 611 | t341 = 0.1e1_dp/t19/t95 | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:50: 398 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t95’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2435:56: 2435 | t5607 = 0.5866666667e2_dp*t307*t949*t5069 | ^ Warning: ‘t949’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:45: 398 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t949’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t946’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:39: 398 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ note: ‘t946’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1857:39: 1857 | *t321*t953*t1625 | ^ Warning: ‘t941’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:76: 397 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t941’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1843:31: 1843 | t3682 = t24*t940 | ^ Warning: ‘t940’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:70: 397 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t940’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1466:70: 1466 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:64: 397 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t94’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1865:33: 1865 | *t339*t969 | ^ Warning: ‘t930’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:59: 397 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t930’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2417:50: 2417 | t5562 = 0.5866666667e2_dp*t93*t4820 | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:53: 397 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t93’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t929’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:48: 397 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t929’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1893:39: 1893 | *t165*t3865*t237 | ^ Warning: ‘t922’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:30: 397 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t922’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:590:29: 590 | t298 = t92*t97 | ^ Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:24: 397 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t92’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2079:39: 2079 | *t289*t294*t1553 | ^ Warning: ‘t918’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:19: 397 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t918’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2087:42: 2087 | *t83*t45*t3581*t140 | ^ Warning: ‘t914’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:13: 397 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 | ^ note: ‘t914’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2026:66: 2026 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 | ^ Warning: ‘t907’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:94: 396 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t907’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1879:71: 1879 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 | ^ Warning: ‘t906’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:88: 396 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t906’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1189:39: 1189 | t1640 = 0.1e1_dp/t787/t9 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:76: 396 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t9’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2670:57: 2670 | t6216 = 0.8333333340e-1_dp*t429*t897*t4701 | ^ Warning: ‘t897’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:72: 396 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t897’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2098:96: 2098 | t3869 + t4657 + t4696) | ^ Warning: ‘t893’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:60: 396 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t893’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1947:70: 1947 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 | ^ Warning: ‘t886’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:48: 396 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t886’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1947:70: 1947 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 | ^ Warning: ‘t882’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:42: 396 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t882’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:749:49: 749 | *t615 - 0.20e1_dp*t102*t646 | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:30: 396 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t88’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2010:66: 2010 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t878’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:25: 396 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t878’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1990:66: 1990 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t874’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:13: 396 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & | ^ note: ‘t874’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:745:73: 745 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:93: 395 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t87’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1954:37: 1954 | *t58*t3796*t71 | ^ Warning: ‘t866’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:82: 395 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t866’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1983:41: 1983 | t192*t68*t4256*t65 | ^ Warning: ‘t865’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:76: 395 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t865’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1940:66: 1940 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 | ^ Warning: ‘t864’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:70: 395 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t864’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1990:66: 1990 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t863’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:64: 395 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t863’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1725:80: 1725 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:52: 395 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t86’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1975:29: 1975 | *t3382 | ^ Warning: ‘t859’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:47: 395 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t859’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1787:56: 1787 | t3497 = 0.2400000000e2_dp*t473*t852*t1483 | ^ Warning: ‘t852’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:29: 395 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t852’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1466:70: 1466 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:17: 395 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t85’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:713:98: 713 | t46*t541))*sx | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:12: 395 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & | ^ note: ‘t84’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2061:71: 2061 | *t3507 - t3512)*t149*t160 | ^ Warning: ‘t833’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:94: 394 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t833’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2654:37: 2654 | t6175 = t83*t597*t1688 | ^ Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:88: 394 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t83’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1783:38: 1783 | t165*t171*t3449 | ^ Warning: ‘t827’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:83: 394 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t827’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1910:40: 1910 | *t400*t1333*t1410 | ^ Warning: ‘t822’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:71: 394 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t822’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1783:38: 1783 | t165*t171*t3449 | ^ Warning: ‘t815’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:65: 394 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t815’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2098:96: 2098 | t3869 + t4657 + t4696) | ^ Warning: ‘t804’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:59: 394 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t804’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t801’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:53: 394 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t801’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t800’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:47: 394 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t800’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:786:108: 786 | *t83*t653 - 0.2222222224e0_dp*t144*t46*t739))*sx | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:41: 394 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t8’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1764:32: 1764 | t12*t1058 | ^ Warning: ‘t797’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:37: 394 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ note: ‘t797’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:713:98: 713 | t46*t541))*sx | ^ Warning: ‘t79’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:95: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t79’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2107:42: 2107 | t4721 = 0.1e1_dp/t787*t2480 | ^ Warning: ‘t787’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:90: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t787’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2155:59: 2155 | - 0.2400000000e2_dp*t786/t2492*t1058 | ^ Warning: ‘t786’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:84: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t786’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1764:32: 1764 | t12*t1058 | ^ Warning: ‘t782’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:72: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t782’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1744:85: 1744 | + t3288) | ^ Warning: ‘t78’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:66: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t78’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1898:32: 1898 | t3925 = t777*t561 | ^ Warning: ‘t777’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:61: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t777’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1831:29: 1831 | *t3339 | ^ Warning: ‘t773’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:49: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t773’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1857:39: 1857 | *t321*t953*t1625 | ^ Warning: ‘t772’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:43: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t772’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t769’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:37: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t769’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1770:57: 1770 | *t102*t3363 - 0.20e1_dp*t102*t3379 | ^ Warning: ‘t766’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:31: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t766’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1841:54: 1841 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t764’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:19: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t764’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2098:96: 2098 | t3869 + t4657 + t4696) | ^ Warning: ‘t754’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:13: 393 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^ note: ‘t754’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2098:96: 2098 | t3869 + t4657 + t4696) | ^ Warning: ‘t753’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:95: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t753’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2112:55: 2112 | t4732 = 0.6666666672e0_dp*t747*t84*t4729 | ^ Warning: ‘t747’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:89: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t747’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:661:32: 661 | t446 = t74*my_rho | ^ Warning: ‘t74’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:83: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t74’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1219:31: 1219 | t1694 = t45*t739 | ^ Warning: ‘t739’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:78: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t739’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2019:39: 2019 | *t429*t1928*t290 | ^ Warning: ‘t735’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:72: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t735’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2607:33: 2607 | t6053 = t732*t6052 | ^ Warning: ‘t732’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:66: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t732’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2572:51: 2572 | t5977 = 0.1111111112e0_dp*t1755*t729 | ^ Warning: ‘t729’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:60: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t729’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1940:66: 1940 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 | ^ Warning: ‘t728’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:54: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t728’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2614:33: 2614 | t6075 = t723*t6052 | ^ Warning: ‘t723’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:48: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t723’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2785:54: 2785 | + t5949 + t5952 + t5954 - t5958 | ^ Warning: ‘t722’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:42: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t722’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2585:33: 2585 | t6006 = t719*t1838 | ^ Warning: ‘t719’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:36: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t719’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2293:90: 2293 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 | ^ Warning: ‘t716’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:30: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t716’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1231:31: 1231 | t1715 = t713*t67 | ^ Warning: ‘t713’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:24: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t713’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1277:51: 1277 | t1797 = 0.8999999998e1_dp*t1795*t710 | ^ Warning: ‘t710’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:18: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t710’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:777:87: 777 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 | ^ Warning: ‘t71’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:12: 392 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: ‘t71’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1268:51: 1268 | t1779 = 0.5000000001e0_dp*t1777*t709 | ^ Warning: ‘t709’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:93: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t709’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2293:90: 2293 | t729 - 0.5555555558e-1_dp*t192*t5271 - 0.5000000001e0_dp*t732*t4908 | ^ Warning: ‘t708’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:87: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t708’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1425:33: 1425 | t2114 = t707*t2113 | ^ Warning: ‘t707’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:81: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t707’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2612:42: 2612 | t6066 = t1519*t705*t561*t65 | ^ Warning: ‘t705’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:75: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t705’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1710:83: 1710 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t70’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:69: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t70’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:602:29: 602 | t321 = t7*t219 | ^ Warning: ‘t7’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:64: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t7’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1679:30: 1679 | t3097 = t66*t69 | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:60: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t69’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1346:56: 1346 | t1952 = 0.5555555557e-1_dp*t165*t689*t433 | ^ Warning: ‘t689’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:55: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t689’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:647:30: 647 | t406 = t68*t140 | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:49: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t68’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2135:73: 2135 | *t165*t166*t4729 + 0.3333333334e0_dp*t55*t57*t4782 | ^ Warning: ‘t679’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:44: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t679’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2820:76: 2820 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ Warning: ‘t673’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:38: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t673’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2646:38: 2646 | t6160 = t147*t1885*t672 | ^ Warning: ‘t672’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:32: 391 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^ note: ‘t672’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1367:55: 1367 | t1997 = 0.1666666667e0_dp*t165*t171*t668 | ^ Warning: ‘t668’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:76: 390 | t6603, t6611, t6620, t6621, t6630, t6640, t6658, t6665, t6669, t668 | ^ note: ‘t668’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:686:30: 686 | t516 = t66*t515 | ^ Warning: ‘t66’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:92: 389 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & | ^ note: ‘t66’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2642:38: 2642 | t6141 = t658*t575*t1925 | ^ Warning: ‘t658’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:73: 389 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & | ^ note: ‘t658’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1218:49: 1218 | t1693 = 0.3333333336e0_dp*t55*t653 | ^ Warning: ‘t653’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:33: 389 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & | ^ note: ‘t653’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1131:49: 1131 | t1545 = 0.3333333336e0_dp*t55*t650 | ^ Warning: ‘t650’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:13: 389 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & | ^ note: ‘t650’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:725:59: 725 | *t71 - 0.5000000001e0_dp*t60*t561*t65 | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:93: 388 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & | ^ note: ‘t65’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1324:31: 1324 | t1902 = t68*t649 | ^ Warning: ‘t649’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:74: 388 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & | ^ note: ‘t649’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2259:34: 2259 | *t105*t5118 | ^ Warning: ‘t646’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:54: 388 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & | ^ note: ‘t646’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2425:53: 2425 | t5579 = 0.80e1_dp*t102*t327*t645*t1443 | ^ Warning: ‘t645’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:41: 388 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & | ^ note: ‘t645’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1397:32: 1397 | t2054 = t786*t640 | ^ Warning: ‘t640’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:88: 387 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & | ^ note: ‘t640’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2252:66: 2252 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t637’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:47: 387 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & | ^ note: ‘t637’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2252:66: 2252 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t635’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:20: 387 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & | ^ note: ‘t635’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2252:66: 2252 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t628’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:386:40: 386 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & | ^ note: ‘t628’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2385:51: 2385 | t5480 = 0.1760000000e3_dp*t5060*t627 | ^ Warning: ‘t627’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:386:27: 386 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & | ^ note: ‘t627’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2428:56: 2428 | t5590 = 0.80e1_dp*t624*t22*t326*t136*t233 | ^ Warning: ‘t624’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:385:41: 385 | t6219, t6222, t6223, t6227, t624, t6247, t6249, t6252, t6253, t6256, t6257, t6260, t6263, & | ^ note: ‘t624’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:678:35: 678 | *t61*t262*t25 | ^ Warning: ‘t62’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:384:61: 384 | REAL(KIND=dp) :: t6186, t6189, t6192, t6194, t6198, t62, t6201, t6207, t6210, t6213, t6216, & | ^ note: ‘t62’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2259:34: 2259 | *t105*t5118 | ^ Warning: ‘t615’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:96: 382 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & | ^ note: ‘t615’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1168:32: 1168 | t1608 = t953*t614 | ^ Warning: ‘t614’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:76: 382 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & | ^ note: ‘t614’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:573:34: 573 | t264 = t61*t262*t17 | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:381:73: 381 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & | ^ note: ‘t61’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2259:34: 2259 | *t105*t5118 | ^ Warning: ‘t609’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:381:40: 381 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & | ^ note: ‘t609’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1157:32: 1157 | t1592 = t949*t608 | ^ Warning: ‘t608’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:381:27: 381 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & | ^ note: ‘t608’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t605’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:380:34: 380 | t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, & | ^ note: ‘t605’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1265:31: 1265 | t1774 = t60*t496 | ^ Warning: ‘t60’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:378:64: 378 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & | ^ note: ‘t60’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:621:33: 621 | t365 = t6*my_ndrho | ^ Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:378:59: 378 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & | ^ note: ‘t6’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1130:49: 1130 | t1543 = 0.3333333336e0_dp*t55*t598 | ^ Warning: ‘t598’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:378:27: 378 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & | ^ note: ‘t598’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2654:37: 2654 | t6175 = t83*t597*t1688 | ^ Warning: ‘t597’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:377:76: 377 | REAL(KIND=dp) :: t5954, t5956, t5958, t5960, t5963, t5964, t5966, t597, t5971, t5973, t5975, & | ^ note: ‘t597’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1363:56: 1363 | t1987 = 0.8333333335e-1_dp*t429*t437*t593 | ^ Warning: ‘t593’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:376:20: 376 | t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952 | ^ note: ‘t593’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1068:50: 1068 | t1408 = 0.4444444448e0_dp*t214*t590 | ^ Warning: ‘t590’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:375:32: 375 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & | ^ note: ‘t590’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:762:30: 762 | t707 = t187*t59 | ^ Warning: ‘t59’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:375:26: 375 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & | ^ note: ‘t59’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2145:60: 2145 | t4812 = 0.1333333334e1_dp*t217*t46*t589*t1447 | ^ Warning: ‘t589’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:374:97: 374 | t5850, t5854, t5857, t5861, t5864, t5868, t5869, t5875, t5880, t5881, t5885, t5888, t589, & | ^ note: ‘t589’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1350:34: 1350 | t1962 = t585*my_rho | ^ Warning: ‘t585’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:373:97: 373 | t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, & | ^ note: ‘t585’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:576:30: 576 | t268 = t58*t237 | ^ Warning: ‘t58’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:372:53: 372 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & | ^ note: ‘t58’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2010:66: 2010 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t579’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:372:27: 372 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & | ^ note: ‘t579’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1414:39: 1414 | t2081*t575*t2082 | ^ Warning: ‘t575’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:371:34: 371 | t5742, t5745, t5749, t575, t5752, t5756, t5760, t5767, t5770, t5773, t5776, t5780, t5783, & | ^ note: ‘t575’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:847:69: 847 | *t170*t455*t17 + 0.3333333334e0_dp*t55*t57*t889 | ^ Warning: ‘t57’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:369:67: 369 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 | ^ note: ‘t57’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2709:36: 2709 | t5011 + t5001 | ^ Warning: ‘t569’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:369:27: 369 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 | ^ note: ‘t569’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2135:73: 2135 | *t165*t166*t4729 + 0.3333333334e0_dp*t55*t57*t4782 | ^ Warning: ‘t567’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:368:54: 368 | t5657, t566, t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, & | ^ note: ‘t567’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1345:56: 1345 | t1946 = 0.1666666667e0_dp*t165*t1392*t561 | ^ Warning: ‘t561’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:366:67: 366 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, & | ^ note: ‘t561’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:673:30: 673 | t479 = t56*t140 | ^ Warning: ‘t56’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:366:33: 366 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, & | ^ note: ‘t56’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2259:34: 2259 | *t105*t5118 | ^ Warning: ‘t558’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:365:75: 365 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, & | ^ note: ‘t558’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2721:79: 2721 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468 | ^ Warning: ‘t557’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:365:41: 365 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, & | ^ note: ‘t557’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2252:66: 2252 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t550’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:363:32: 363 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & | ^ note: ‘t550’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2312:55: 2312 | t5301 = 0.3333333336e0_dp*t55*t384*t4729 | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:363:26: 363 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & | ^ note: ‘t55’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:929:31: 929 | t1071 = t45*t541 | ^ Warning: ‘t541’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:359:90: 359 | t5373, t5376, t5379, t5383, t5386, t5389, t5397, t5400, t5402, t5406, t5409, t541, t5412, & | ^ note: ‘t541’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1725:80: 1725 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t537’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:358:83: 358 | t5342, t5343, t5345, t5347, t5351, t5354, t5357, t5360, t5363, t5367, t537, t5370, t5371, & | ^ note: ‘t537’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1678:69: 1678 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 | ^ Warning: ‘t534’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:357:97: 357 | t5311, t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, & | ^ note: ‘t534’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1691:34: 1691 | *t503*t2312 | ^ Warning: ‘t531’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:356:94: 356 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, & | ^ note: ‘t531’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1691:34: 1691 | *t503*t2312 | ^ Warning: ‘t530’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:356:60: 356 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, & | ^ note: ‘t530’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1242:51: 1242 | t1735 = 0.3703703705e-1_dp*t719*t527 | ^ Warning: ‘t527’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:33: 355 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 | ^ note: ‘t527’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1700:64: 1700 | *t2622*t71 - 0.1666666668e0_dp*t1106*t886 | ^ Warning: ‘t526’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:20: 355 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 | ^ note: ‘t526’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1710:83: 1710 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t520’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:46: 354 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & | ^ note: ‘t520’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1710:83: 1710 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t517’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:26: 354 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & | ^ note: ‘t517’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1954:37: 1954 | *t58*t3796*t71 | ^ Warning: ‘t516’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:13: 354 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & | ^ note: ‘t516’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1710:83: 1710 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t515’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:353:95: 353 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & | ^ note: ‘t515’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1691:34: 1691 | *t503*t2312 | ^ Warning: ‘t512’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:353:47: 353 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & | ^ note: ‘t512’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:984:32: 984 | t1213 = t511*t225 | ^ Warning: ‘t511’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:353:27: 353 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & | ^ note: ‘t511’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2608:52: 2608 | t6056 = 0.5555555558e-1_dp*t508*t5271 | ^ Warning: ‘t508’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:352:83: 352 | t5040, t5043, t5044, t5047, t5050, t5051, t5060, t5065, t5069, t5079, t508, t5083, t5087, & | ^ note: ‘t508’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2002:64: 2002 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t503’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:76: 351 | t5009, t5011, t5013, t5016, t5019, t5022, t5025, t5028, t5029, t503, t5032, t5035, t5036, & | ^ note: ‘t503’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:940:31: 940 | t1106 = t500*t67 | ^ Warning: ‘t500’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:350:65: 350 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & | ^ note: ‘t500’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1523:40: 1523 | *t1368*t166*t2160 | ^ Warning: ‘t50’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:350:59: 350 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & | ^ note: ‘t50’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1678:69: 1678 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 | ^ Warning: ‘t498’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:350:40: 350 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & | ^ note: ‘t498’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1710:83: 1710 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t496’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:350:34: 350 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & | ^ note: ‘t496’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:569:30: 569 | t245*t17 | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:347:74: 347 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, & | ^ note: ‘t49’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1667:76: 1667 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ Warning: ‘t489’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:347:41: 347 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, & | ^ note: ‘t489’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:586:38: 586 | t289 = my_rho*t48*omega | ^ Warning: ‘t48’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:345:19: 345 | t4797, t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, & | ^ note: ‘t48’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1658:33: 1658 | t1176*t804 | ^ Warning: ‘t479’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:344:75: 344 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, & | ^ note: ‘t479’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2174:39: 2174 | t4895 = t478*t1500*t4729 | ^ Warning: ‘t478’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:344:48: 344 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, & | ^ note: ‘t478’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1658:33: 1658 | t1176*t804 | ^ Warning: ‘t474’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:55: 343 | t4732, t4733, t4734, t4736, t4738, t4739, t474, t4743, t4744, t4748, t4760, t4764, t4768, & | ^ note: ‘t474’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2697:45: 2697 | *t4901 - t4907 + t4911 | ^ Warning: ‘t473’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:95: 342 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & | ^ note: ‘t473’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1286:32: 1286 | t1821 = t472*t262 | ^ Warning: ‘t472’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:61: 342 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & | ^ note: ‘t472’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2778:29: 2778 | *t6271 | ^ Warning: ‘t471’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:34: 342 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & | ^ note: ‘t471’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1017:40: 1017 | t1300 = 0.1e1_dp/t41/t470 | ^ Warning: ‘t470’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:45: 341 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 | ^ note: ‘t470’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:643:30: 643 | t399 = t47*t398 | ^ Warning: ‘t47’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:39: 341 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 | ^ note: ‘t47’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1594:104: 1594 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 | ^ Warning: ‘t466’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:27: 341 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 | ^ note: ‘t466’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1609:40: 1609 | *t2763*t446*t2779 | ^ Warning: ‘t462’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:97: 340 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & | ^ note: ‘t462’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:713:98: 713 | t46*t541))*sx | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:84: 340 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & | ^ note: ‘t46’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1523:40: 1523 | *t1368*t166*t2160 | ^ Warning: ‘t455’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:58: 340 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & | ^ note: ‘t455’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1710:83: 1710 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t451’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:38: 340 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & | ^ note: ‘t451’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1594:104: 1594 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 | ^ Warning: ‘t450’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:25: 340 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & | ^ note: ‘t450’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1725:80: 1725 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t446’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:84: 339 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & | ^ note: ‘t446’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2643:38: 2643 | t6144 = t445*t4512*t668 | ^ Warning: ‘t445’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:78: 339 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & | ^ note: ‘t445’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1597:33: 1597 | t2763 = t1367*t444 | ^ Warning: ‘t444’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:72: 339 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & | ^ note: ‘t444’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1725:80: 1725 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t437’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:40: 339 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & | ^ note: ‘t437’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1646:57: 1646 | - 0.5000000001e0_dp*t429*t437*t914 | ^ Warning: ‘t433’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:20: 339 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & | ^ note: ‘t433’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2098:96: 2098 | t3869 + t4657 + t4696) | ^ Warning: ‘t43’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:92: 338 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & | ^ note: ‘t43’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2641:38: 2641 | t6138 = t429*t1928*t593 | ^ Warning: ‘t429’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:80: 338 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & | ^ note: ‘t429’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1748:30: 1748 | t3305 = t4*t428 | ^ Warning: ‘t428’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:74: 338 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & | ^ note: ‘t428’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2637:56: 2637 | t6126 = 0.1800000000e2_dp*t658*t4764*t425 | ^ Warning: ‘t425’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:40: 338 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & | ^ note: ‘t425’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1646:57: 1646 | - 0.5000000001e0_dp*t429*t437*t914 | ^ Warning: ‘t424’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:34: 338 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & | ^ note: ‘t424’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:636:31: 636 | t383 = t42*omega | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:97: 337 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & | ^ note: ‘t42’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1633:65: 1633 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 | ^ Warning: ‘t417’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:92: 337 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & | ^ note: ‘t417’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1725:80: 1725 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t413’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:72: 337 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & | ^ note: ‘t413’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:790:38: 790 | t747 = lambda*t41*omega | ^ Warning: ‘t41’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:52: 337 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & | ^ note: ‘t41’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1633:65: 1633 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 | ^ Warning: ‘t406’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:33: 337 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & | ^ note: ‘t406’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:819:35: 819 | *t49*t822*t14 | ^ Warning: ‘t405’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:27: 337 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & | ^ note: ‘t405’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1621:39: 1621 | *t400*t401*t2230 | ^ Warning: ‘t401’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:82: 336 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & | ^ note: ‘t401’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2449:38: 2449 | t5643 = t400*t3975*t561 | ^ Warning: ‘t400’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:76: 336 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & | ^ note: ‘t400’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1648:41: 1648 | t2992 = 0.1e1_dp/t1140/t40 | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:70: 336 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & | ^ note: ‘t40’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1069:30: 1069 | t1409 = t4*t164 | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:65: 336 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & | ^ note: ‘t4’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1327:32: 1327 | t1912 = t399*t245 | ^ Warning: ‘t399’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:61: 336 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & | ^ note: ‘t399’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:34: 1726 | t3278 = my_rho*t398 | ^ Warning: ‘t398’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:48: 336 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & | ^ note: ‘t398’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1594:104: 1594 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 | ^ Warning: ‘t394’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:94: 335 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & | ^ note: ‘t394’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2051:58: 2051 | + 0.3333333334e0_dp*t165*t437*t1688 | ^ Warning: ‘t393’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:74: 335 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & | ^ note: ‘t393’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1646:57: 1646 | - 0.5000000001e0_dp*t429*t437*t914 | ^ Warning: ‘t392’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:61: 335 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & | ^ note: ‘t392’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1062:29: 1062 | *t1397 | ^ Warning: ‘t387’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:27: 335 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & | ^ note: ‘t387’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1736:66: 1736 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 | ^ Warning: ‘t384’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:33: 334 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869 | ^ note: ‘t384’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2327:51: 2327 | t5335 = 0.2222222224e0_dp*t383*t5281 | ^ Warning: ‘t383’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:27: 334 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869 | ^ note: ‘t383’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1062:29: 1062 | *t1397 | ^ Warning: ‘t380’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:97: 333 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & | ^ note: ‘t380’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1736:66: 1736 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 | ^ Warning: ‘t379’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:77: 333 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & | ^ note: ‘t379’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2433:42: 2433 | t5602 = 0.40e1_dp*t624*t376 | ^ Warning: ‘t376’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:64: 333 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & | ^ note: ‘t376’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1568:55: 1568 | 0.5866666667e2_dp*t962*t949*t375 | ^ Warning: ‘t375’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:51: 333 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & | ^ note: ‘t375’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1200:48: 1200 | t1662 = 0.3200000000e2_dp*t7*t372 | ^ Warning: ‘t372’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:38: 333 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & | ^ note: ‘t372’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1550:34: 1550 | *t2565*t796 | ^ Warning: ‘t371’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:25: 333 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & | ^ note: ‘t371’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:718:61: 718 | t561 = 0.40e1_dp*t24*t37 - 0.20e1_dp*t102*t558 | ^ Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:19: 333 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & | ^ note: ‘t37’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1550:34: 1550 | *t2565*t796 | ^ Warning: ‘t368’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:92: 332 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & | ^ note: ‘t368’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:862:31: 862 | t942 = t367*t306 | ^ Warning: ‘t367’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:58: 332 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & | ^ note: ‘t367’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2392:38: 2392 | t5496 = t366*t368*t1681 | ^ Warning: ‘t366’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:45: 332 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & | ^ note: ‘t366’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1550:34: 1550 | *t2565*t796 | ^ Warning: ‘t365’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:39: 332 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & | ^ note: ‘t365’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1201:42: 1201 | t1664 = 0.60e1_dp*t550*t362 | ^ Warning: ‘t362’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:33: 332 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & | ^ note: ‘t362’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1550:34: 1550 | *t2565*t796 | ^ Warning: ‘t360’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:13: 332 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & | ^ note: ‘t360’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:559:30: 559 | t221 = t220*t36 | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:94: 331 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & | ^ note: ‘t36’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1667:76: 1667 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ Warning: ‘t357’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:61: 331 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & | ^ note: ‘t357’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:905:35: 905 | t1002*my_rho | ^ Warning: ‘t356’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:41: 331 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & | ^ note: ‘t356’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1197:51: 1197 | t1656 = 0.8000000000e1_dp*t1429*t352 | ^ Warning: ‘t352’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:73: 330 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & | ^ note: ‘t352’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t350’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:25: 330 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & | ^ note: ‘t350’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1559:40: 1559 | t2585 = 0.1e1_dp/t972/t35 | ^ Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:19: 330 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & | ^ note: ‘t35’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2387:51: 2387 | t5484 = 0.1760000000e3_dp*t5460*t347 | ^ Warning: ‘t347’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:329:72: 329 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & | ^ note: ‘t347’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1193:51: 1193 | t1647 = 0.5600000000e2_dp*t1645*t343 | ^ Warning: ‘t343’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:329:52: 329 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & | ^ note: ‘t343’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1841:54: 1841 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t342’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:329:46: 329 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & | ^ note: ‘t342’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1725:80: 1725 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t341’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:329:40: 329 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & | ^ note: ‘t341’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t339’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:329:34: 329 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & | ^ note: ‘t339’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1188:49: 1188 | t1638 = 0.1200000000e3_dp*t24*t336 | ^ Warning: ‘t336’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:76: 328 | REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, & | ^ note: ‘t336’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1202:79: 1202 | t1667 = 0.28e2_dp/0.3e1_dp*t332 - 0.28e2_dp/0.3e1_dp*t987*my_rho | ^ Warning: ‘t332’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:80: 327 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 | ^ note: ‘t332’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1747:63: 1747 | e_rho_rho_rho(ii) = e_rho_rho_rho(ii) + t3291*sx | ^ Warning: ‘t3291’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:53: 327 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 | ^ note: ‘t3291’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1172:42: 1172 | t1615 = 0.80e1_dp*t112*t329 | ^ Warning: ‘t329’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:46: 327 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 | ^ note: ‘t329’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1568:55: 1568 | 0.5866666667e2_dp*t962*t949*t375 | ^ Warning: ‘t328’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:33: 327 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 | ^ note: ‘t328’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1881:32: 1881 | t3842 = t3278*t46 | ^ Warning: ‘t3278’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:27: 327 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 | ^ note: ‘t3278’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1558:85: 1558 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 | ^ Warning: ‘t327’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:20: 327 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 | ^ note: ‘t327’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1932:32: 1932 | t4025 = t3262*t57 | ^ Warning: ‘t3262’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:85: 326 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & | ^ note: ‘t3262’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1161:34: 1161 | t1598 = t326*my_rho | ^ Warning: ‘t326’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:78: 326 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & | ^ note: ‘t326’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2061:71: 2061 | *t3507 - t3512)*t149*t160 | ^ Warning: ‘t3248’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:72: 326 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & | ^ note: ‘t3248’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2034:41: 2034 | *t1246*t3244*t1483 | ^ Warning: ‘t3244’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:65: 326 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & | ^ note: ‘t3244’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2420:51: 2420 | t5568 = 0.1066666667e2_dp*t1645*t322 | ^ Warning: ‘t322’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:51: 326 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & | ^ note: ‘t322’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:57: 2382 | t5472 = 0.3200000001e2_dp*t321*t2455*t5079 | ^ Warning: ‘t321’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:45: 326 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & | ^ note: ‘t321’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1159:43: 1159 | t1596 = 0.320e2_dp*t605*t318 | ^ Warning: ‘t318’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:32: 326 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & | ^ note: ‘t318’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1568:55: 1568 | 0.5866666667e2_dp*t962*t949*t375 | ^ Warning: ‘t317’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:26: 326 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & | ^ note: ‘t317’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1568:55: 1568 | 0.5866666667e2_dp*t962*t949*t375 | ^ Warning: ‘t316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:20: 326 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & | ^ note: ‘t316’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2377:51: 2377 | t5462 = 0.1173333333e3_dp*t5460*t313 | ^ Warning: ‘t313’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:91: 325 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & | ^ note: ‘t313’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1710:83: 1710 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t311’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:78: 325 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & | ^ note: ‘t311’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:715:29: 715 | t551 = t27*t31 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:72: 325 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & | ^ note: ‘t31’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2002:64: 2002 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t3097’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:60: 325 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & | ^ note: ‘t3097’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:890:40: 890 | t1002 = 0.1e1_dp/t19/t309 | ^ Warning: ‘t309’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:46: 325 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & | ^ note: ‘t309’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:900:31: 900 | t1033 = t308*t12 | ^ Warning: ‘t308’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:33: 325 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & | ^ note: ‘t308’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2435:56: 2435 | t5607 = 0.5866666667e2_dp*t307*t949*t5069 | ^ Warning: ‘t307’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:20: 325 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & | ^ note: ‘t307’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:858:31: 858 | t929 = t306*t311 | ^ Warning: ‘t306’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:92: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t306’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1965:39: 1965 | *t478*t183*t3918 | ^ Warning: ‘t3030’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:86: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t3030’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t302’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:72: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t302’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1965:39: 1965 | *t478*t183*t3918 | ^ Warning: ‘t2998’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:66: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t2998’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1965:39: 1965 | *t478*t183*t3918 | ^ Warning: ‘t2994’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:59: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t2994’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2778:29: 2778 | *t6271 | ^ Warning: ‘t2992’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:52: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t2992’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1149:49: 1149 | t1579 = 0.1173333333e3_dp*t24*t299 | ^ Warning: ‘t299’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:45: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t299’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1160:30: 1160 | t1597 = t7*t298 | ^ Warning: ‘t298’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:39: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t298’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1062:29: 1062 | *t1397 | ^ Warning: ‘t295’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:33: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t295’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1744:85: 1744 | + t3288) | ^ Warning: ‘t294’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:27: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t294’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2051:58: 2051 | + 0.3333333334e0_dp*t165*t437*t1688 | ^ Warning: ‘t2937’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:21: 324 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & | ^ note: ‘t2937’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1736:66: 1736 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 | ^ Warning: ‘t290’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:94: 323 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & | ^ note: ‘t290’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2656:38: 2656 | t6181 = t289*t1564*t593 | ^ Warning: ‘t289’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:88: 323 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & | ^ note: ‘t289’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2343:39: 2343 | t5373 = t2885*t446*t5371 | ^ Warning: ‘t2885’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:82: 323 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & | ^ note: ‘t2885’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1923:34: 1923 | t1320*t1483 | ^ Warning: ‘t2873’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:68: 323 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & | ^ note: ‘t2873’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1066:96: 1066 | t804 - 0.4444444448e0_dp*t43*t894 + t8*t1401)*sx | ^ Warning: ‘t283’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:33: 323 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & | ^ note: ‘t283’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1910:40: 1910 | *t400*t1333*t1410 | ^ Warning: ‘t2823’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:27: 323 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & | ^ note: ‘t2823’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2709:36: 2709 | t5011 + t5001 | ^ Warning: ‘t2821’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:20: 323 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & | ^ note: ‘t2821’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1744:85: 1744 | + t3288) | ^ Warning: ‘t282’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:13: 323 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & | ^ note: ‘t282’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1910:40: 1910 | *t400*t1333*t1410 | ^ Warning: ‘t2808’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:87: 322 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & | ^ note: ‘t2808’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1725:80: 1725 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t278’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:73: 322 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & | ^ note: ‘t278’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2346:59: 2346 | t5383 = 0.4166666667e-1_dp*t2763*t1247*t5002 | ^ Warning: ‘t2763’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:60: 322 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & | ^ note: ‘t2763’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1691:34: 1691 | *t503*t2312 | ^ Warning: ‘t275’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:46: 322 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & | ^ note: ‘t275’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1808:33: 1808 | t3569 = t274*t1505 | ^ Warning: ‘t274’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:40: 322 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & | ^ note: ‘t274’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2034:41: 2034 | *t1246*t3244*t1483 | ^ Warning: ‘t2720’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:20: 322 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & | ^ note: ‘t2720’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1678:69: 1678 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 | ^ Warning: ‘t271’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:13: 322 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & | ^ note: ‘t271’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2070:60: 2070 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t2707’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:92: 321 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & | ^ note: ‘t2707’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:715:29: 715 | t551 = t27*t31 | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:85: 321 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & | ^ note: ‘t27’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1710:83: 1710 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t268’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:80: 321 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & | ^ note: ‘t268’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1710:83: 1710 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 | ^ Warning: ‘t267’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:74: 321 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & | ^ note: ‘t267’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1678:69: 1678 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 | ^ Warning: ‘t266’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:68: 321 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & | ^ note: ‘t266’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2079:39: 2079 | *t289*t294*t1553 | ^ Warning: ‘t2636’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:42: 321 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & | ^ note: ‘t2636’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2087:42: 2087 | *t83*t45*t3581*t140 | ^ Warning: ‘t2631’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:28: 321 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & | ^ note: ‘t2631’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1286:32: 1286 | t1821 = t472*t262 | ^ Warning: ‘t262’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:66: 320 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 | ^ note: ‘t262’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2371:57: 2371 | t5449 = 0.1173333333e3_dp*t307*t2611*t5065 | ^ Warning: ‘t2611’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:60: 320 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 | ^ note: ‘t2611’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2476:73: 2476 | t5716 = 0.1620000000e3_dp*t4994*t392*t4769*t1141*t26*t5713 | ^ Warning: ‘t26’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:47: 320 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 | ^ note: ‘t26’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:33: 1858 | t3750 = t2585*t136 | ^ Warning: ‘t2585’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:42: 320 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 | ^ note: ‘t2585’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2400:67: 2400 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 | ^ Warning: ‘t2565’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:21: 320 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 | ^ note: ‘t2565’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:32: 1832 | t3668 = t2552*t23 | ^ Warning: ‘t2552’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:14: 320 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 | ^ note: ‘t2552’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1841:54: 1841 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t2537’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:93: 319 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & | ^ note: ‘t2537’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2233:38: 2233 | + t5032 + t5035 | ^ Warning: ‘t250’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:86: 319 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & | ^ note: ‘t250’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:707:26: 707 | t537 | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:80: 319 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & | ^ note: ‘t25’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2155:59: 2155 | - 0.2400000000e2_dp*t786/t2492*t1058 | ^ Warning: ‘t2492’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:75: 319 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & | ^ note: ‘t2492’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1523:40: 1523 | *t1368*t166*t2160 | ^ Warning: ‘t249’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:68: 319 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & | ^ note: ‘t249’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2252:66: 2252 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t2480’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:62: 319 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & | ^ note: ‘t2480’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1857:39: 1857 | *t321*t953*t1625 | ^ Warning: ‘t2468’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:55: 319 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & | ^ note: ‘t2468’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2382:57: 2382 | t5472 = 0.3200000001e2_dp*t321*t2455*t5079 | ^ Warning: ‘t2455’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:48: 319 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & | ^ note: ‘t2455’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1327:32: 1327 | t1912 = t399*t245 | ^ Warning: ‘t245’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:34: 319 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & | ^ note: ‘t245’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2079:39: 2079 | *t289*t294*t1553 | ^ Warning: ‘t2404’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:86: 318 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & | ^ note: ‘t2404’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:615:30: 615 | t350 = t24*t225 | ^ Warning: ‘t24’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:79: 318 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & | ^ note: ‘t24’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1744:85: 1744 | + t3288) | ^ Warning: ‘t237’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:53: 318 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & | ^ note: ‘t237’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1152:44: 1152 | t1584 = 0.320e2_dp*t1582*t234 | ^ Warning: ‘t234’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:33: 318 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & | ^ note: ‘t234’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1558:85: 1558 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 | ^ Warning: ‘t233’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:27: 318 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & | ^ note: ‘t233’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1083:53: 1083 | + 0.8000000000e1_dp*t366*t1440 | ^ Warning: ‘t230’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:317:53: 317 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, & | ^ note: ‘t230’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1173:29: 1173 | t1616 = t7*t23 | ^ Warning: ‘t23’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:317:47: 317 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, & | ^ note: ‘t23’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1650:31: 1650 | t2998 = t27*t225 | ^ Warning: ‘t225’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:92: 315 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & | ^ note: ‘t225’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:887:40: 887 | t995 = 0.1e1_dp/t787/t224 | ^ Warning: ‘t224’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:86: 315 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & | ^ note: ‘t224’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t2220’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:59: 315 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & | ^ note: ‘t2220’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1087:28: 1087 | t1444 | ^ Warning: ‘t221’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:52: 315 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & | ^ note: ‘t221’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1550:34: 1550 | *t2565*t796 | ^ Warning: ‘t220’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:18: 315 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & | ^ note: ‘t220’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:605:30: 605 | t327 = t22*t326 | ^ Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:12: 315 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & | ^ note: ‘t22’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:885:31: 885 | t987 = t219*t341 | ^ Warning: ‘t219’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:67: 314 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & | ^ note: ‘t219’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2252:66: 2252 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t2182’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:47: 314 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & | ^ note: ‘t2182’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1550:34: 1550 | *t2565*t796 | ^ Warning: ‘t218’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:40: 314 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & | ^ note: ‘t218’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2164:42: 2164 | t4864 = t217*t46*t1535*t561 | ^ Warning: ‘t217’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:34: 314 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & | ^ note: ‘t217’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2101:56: 2101 | t4704 = 0.3333333336e0_dp*t2147*t84*t4701 | ^ Warning: ‘t2147’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:62: 313 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 | ^ note: ‘t2147’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2136:55: 2136 | t4789 = 0.4444444448e0_dp*t214*t46*t4786 | ^ Warning: ‘t214’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:48: 313 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 | ^ note: ‘t214’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2738:79: 2738 | *t6181 - t6185 + t6189 - t6192 - 0.3333333336e0_dp*t6194 | ^ Warning: ‘t2139’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:42: 313 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 | ^ note: ‘t2139’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2753:90: 2753 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 | ^ Warning: ‘t2131’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:28: 313 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 | ^ note: ‘t2131’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2790:82: 2790 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 | ^ Warning: ‘t2126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:14: 313 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 | ^ note: ‘t2126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2810:46: 2810 | *t60*t2124*t709 - t6044 | ^ Warning: ‘t2124’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:91: 312 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ note: ‘t2124’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2790:82: 2790 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 | ^ Warning: ‘t2118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:84: 312 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ note: ‘t2118’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2794:41: 2794 | *t5228*t2117*t2028 | ^ Warning: ‘t2117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:77: 312 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ note: ‘t2117’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2790:82: 2790 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 | ^ Warning: ‘t2114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:70: 312 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ note: ‘t2114’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2810:46: 2810 | *t60*t2124*t709 - t6044 | ^ Warning: ‘t2113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:63: 312 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ note: ‘t2113’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2800:60: 2800 | t6260 + 0.8999999998e1_dp*t5229*t2104 | ^ Warning: ‘t2104’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:49: 312 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ note: ‘t2104’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2778:29: 2778 | *t6271 | ^ Warning: ‘t2099’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:42: 312 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ note: ‘t2099’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2794:41: 2794 | *t5228*t2117*t2028 | ^ Warning: ‘t2098’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:35: 312 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ note: ‘t2098’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2790:82: 2790 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 | ^ Warning: ‘t2095’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:28: 312 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ note: ‘t2095’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2820:76: 2820 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ Warning: ‘t2088’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:21: 312 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & | ^ note: ‘t2088’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2820:76: 2820 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ Warning: ‘t2082’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:97: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2082’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2768:38: 2768 | - t6090 + t6094 | ^ Warning: ‘t2081’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:90: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2081’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2820:76: 2820 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ Warning: ‘t2077’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:83: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2077’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2753:90: 2753 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 | ^ Warning: ‘t2074’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:76: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2074’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1879:71: 1879 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 | ^ Warning: ‘t207’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:62: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t207’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2739:33: 2739 | t6400 = t2061*t561 | ^ Warning: ‘t2061’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:56: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2061’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2731:78: 2731 | - t5595 + t5597 - t5600 - t5602 + t5604 + t5607 + t5610 | ^ Warning: ‘t2058’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:49: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2058’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2721:79: 2721 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468 | ^ Warning: ‘t2057’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:42: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2057’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2725:40: 2725 | *t1054*t640*t3679 | ^ Warning: ‘t2054’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:35: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2054’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2825:132: 2825 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) | ^ Warning: ‘t2050’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:28: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2050’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2829:73: 2829 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665) | ^ Warning: ‘t2046’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:21: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2046’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2764:63: 2764 | *t575*t161*t1447 + t5773 + t5776 + t5780 | ^ Warning: ‘t2042’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:14: 311 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: ‘t2042’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2820:76: 2820 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) | ^ Warning: ‘t2035’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:97: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2035’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2810:46: 2810 | *t60*t2124*t709 - t6044 | ^ Warning: ‘t2032’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:90: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2032’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2743:46: 2743 | *t27*t6291*t172 - t5397 | ^ Warning: ‘t2031’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:83: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2031’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:666:30: 666 | t466 = t27*t203 | ^ Warning: ‘t203’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:76: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t203’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2794:41: 2794 | *t5228*t2117*t2028 | ^ Warning: ‘t2028’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:70: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2028’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2778:29: 2778 | *t6271 | ^ Warning: ‘t2027’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:63: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2027’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2233:38: 2233 | + t5032 + t5035 | ^ Warning: ‘t2022’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:56: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2022’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2716:54: 2716 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t2018’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:49: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2018’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2716:54: 2716 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t2014’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:42: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2014’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2716:54: 2716 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t2013’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:35: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2013’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2716:54: 2716 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t2009’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:28: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2009’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1895:32: 1895 | t3875 = t45*t2002 | ^ Warning: ‘t2002’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:14: 310 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: ‘t2002’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:777:87: 777 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 | ^ Warning: ‘t200’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:80: 309 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & | ^ note: ‘t200’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1355:31: 1355 | t1972 = t177*t20 | ^ Warning: ‘t20’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:74: 309 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & | ^ note: ‘t20’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:693:31: 693 | t534 = t199*t267 | ^ Warning: ‘t199’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:48: 309 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & | ^ note: ‘t199’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2478:56: 2478 | t5722 = 0.1111111111e0_dp*t165*t689*t1988 | ^ Warning: ‘t1988’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:42: 309 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & | ^ note: ‘t1988’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2026:66: 2026 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 | ^ Warning: ‘t1981’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:21: 309 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & | ^ note: ‘t1981’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2357:43: 2357 | t5421 = t657*t1884*t59*t1975 | ^ Warning: ‘t1975’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:90: 308 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ note: ‘t1975’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2756:70: 2756 | + t5619 + t5622 - t5625 - t5628 + t5631 + t5716 | ^ Warning: ‘t1974’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:83: 308 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ note: ‘t1974’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2716:54: 2716 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t1973’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:76: 308 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ note: ‘t1973’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2631:63: 2631 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 | ^ Warning: ‘t1972’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:69: 308 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ note: ‘t1972’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2631:63: 2631 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 | ^ Warning: ‘t1971’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:62: 308 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ note: ‘t1971’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:57: 2621 | t6087 = 0.1666666667e0_dp*t429*t1966*t1410 | ^ Warning: ‘t1966’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:48: 308 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ note: ‘t1966’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2305:68: 2305 | *t462*t4729 + 0.3333333334e0_dp*t55*t57*t5276 | ^ Warning: ‘t1962’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:34: 308 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ note: ‘t1962’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:777:87: 777 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 | ^ Warning: ‘t196’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:20: 308 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ note: ‘t196’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:688:30: 688 | t520 = t195*t25 | ^ Warning: ‘t195’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:82: 307 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & | ^ note: ‘t195’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2042:44: 2042 | + (2*t147*t1284*t672) | ^ Warning: ‘t1940’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:62: 307 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & | ^ note: ‘t1940’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:690:36: 690 | t527 = t194*t187*t526 | ^ Warning: ‘t194’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:55: 307 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & | ^ note: ‘t194’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2034:41: 2034 | *t1246*t3244*t1483 | ^ Warning: ‘t1932’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:35: 307 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & | ^ note: ‘t1932’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2641:38: 2641 | t6138 = t429*t1928*t593 | ^ Warning: ‘t1928’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:28: 307 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & | ^ note: ‘t1928’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2642:38: 2642 | t6141 = t658*t575*t1925 | ^ Warning: ‘t1925’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:62: 306 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 | ^ note: ‘t1925’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2051:58: 2051 | + 0.3333333334e0_dp*t165*t437*t1688 | ^ Warning: ‘t1924’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:55: 306 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 | ^ note: ‘t1924’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2556:38: 2556 | t5938 = t192*t728*t1505 | ^ Warning: ‘t192’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:34: 306 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 | ^ note: ‘t192’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1923:34: 1923 | t1320*t1483 | ^ Warning: ‘t1912’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:14: 306 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 | ^ note: ‘t1912’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1923:34: 1923 | t1320*t1483 | ^ Warning: ‘t1902’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:81: 305 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & | ^ note: ‘t1902’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2716:54: 2716 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:67: 305 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & | ^ note: ‘t19’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2456:58: 2456 | t5666 = 0.1125000000e2_dp*t1302*t1892*t1410 | ^ Warning: ‘t1892’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:48: 305 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & | ^ note: ‘t1892’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:681:30: 681 | t503 = t189*t67 | ^ Warning: ‘t189’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:34: 305 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & | ^ note: ‘t189’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2042:44: 2042 | + (2*t147*t1284*t672) | ^ Warning: ‘t1886’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:28: 305 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & | ^ note: ‘t1886’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2709:36: 2709 | t5011 + t5001 | ^ Warning: ‘t1885’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:21: 305 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & | ^ note: ‘t1885’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2357:43: 2357 | t5421 = t657*t1884*t59*t1975 | ^ Warning: ‘t1884’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:14: 305 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & | ^ note: ‘t1884’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2070:60: 2070 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t1875’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:83: 304 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & | ^ note: ‘t1875’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:762:30: 762 | t707 = t187*t59 | ^ Warning: ‘t187’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:62: 304 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & | ^ note: ‘t187’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2632:58: 2632 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865 | ^ Warning: ‘t1865’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:49: 304 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & | ^ note: ‘t1865’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:32: 2035 | t4498 = t56*t1843 | ^ Warning: ‘t1843’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:90: 303 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & | ^ note: ‘t1843’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2585:33: 2585 | t6006 = t719*t1838 | ^ Warning: ‘t1838’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:76: 303 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & | ^ note: ‘t1838’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1947:70: 1947 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 | ^ Warning: ‘t1837’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:69: 303 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & | ^ note: ‘t1837’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2542:42: 2542 | t5908 = t1836*t59*t177*t710 | ^ Warning: ‘t1836’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:62: 303 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & | ^ note: ‘t1836’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1667:76: 1667 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ Warning: ‘t183’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:41: 303 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & | ^ note: ‘t183’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2504:40: 2504 | t5797 = t1373*t1962*t1829 | ^ Warning: ‘t1829’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:35: 303 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & | ^ note: ‘t1829’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2350:57: 2350 | t5400 = 0.3333333334e0_dp*t445*t1962*t1825 | ^ Warning: ‘t1825’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:21: 303 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & | ^ note: ‘t1825’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1975:29: 1975 | *t3382 | ^ Warning: ‘t1821’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:88: 302 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & | ^ note: ‘t1821’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1667:76: 1667 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ Warning: ‘t182’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:81: 302 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & | ^ note: ‘t182’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1965:39: 1965 | *t478*t183*t3918 | ^ Warning: ‘t1811’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:61: 302 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & | ^ note: ‘t1811’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2508:58: 2508 | t5810 = 0.1080000000e3_dp*t1143*t1801*t1410 | ^ Warning: ‘t1801’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:33: 302 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & | ^ note: ‘t1801’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2709:36: 2709 | t5011 + t5001 | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:19: 302 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & | ^ note: ‘t18’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2560:52: 2560 | t5949 = 0.8999999998e1_dp*t1795*t4909 | ^ Warning: ‘t1795’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:97: 301 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & | ^ note: ‘t1795’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34: 2568 | t5966 = t1785*t1790 | ^ Warning: ‘t1790’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:83: 301 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & | ^ note: ‘t1790’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34: 2568 | t5966 = t1785*t1790 | ^ Warning: ‘t1785’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:62: 301 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & | ^ note: ‘t1785’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2615:51: 2615 | t6078 = 0.1111111112e0_dp*t719*t1782 | ^ Warning: ‘t1782’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:48: 301 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & | ^ note: ‘t1782’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2584:38: 2584 | t6004 = t1709*t178*t710 | ^ Warning: ‘t178’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:41: 301 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & | ^ note: ‘t178’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2586:52: 2586 | t6009 = 0.5000000001e0_dp*t1777*t4908 | ^ Warning: ‘t1777’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:28: 301 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & | ^ note: ‘t1777’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2578:52: 2578 | t5985 = 0.5000000001e0_dp*t1774*t4908 | ^ Warning: ‘t1774’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:14: 301 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & | ^ note: ‘t1774’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:763:31: 763 | t708 = t707*t177 | ^ Warning: ‘t177’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:89: 300 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & | ^ note: ‘t177’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2536:33: 2536 | t5885 = t719*t1769 | ^ Warning: ‘t1769’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:83: 300 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & | ^ note: ‘t1769’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2610:40: 2610 | t6060 = t1766*t5881*t4940 | ^ Warning: ‘t1766’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:69: 300 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & | ^ note: ‘t1766’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2603:52: 2603 | t6044 = 0.2000000002e1_dp*t1763*t5956 | ^ Warning: ‘t1763’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:55: 300 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & | ^ note: ‘t1763’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:950:30: 950 | t1140 = t176**2 | ^ Warning: ‘t176’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:34: 300 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & | ^ note: ‘t176’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2002:64: 2002 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t1755’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:70: 299 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 | ^ note: ‘t1755’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2597:72: 2597 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 | ^ Warning: ‘t1748’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:49: 299 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 | ^ note: ‘t1748’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2010:66: 2010 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t1745’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:42: 299 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 | ^ note: ‘t1745’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2562:52: 2562 | t5954 = 0.8999999998e1_dp*t1741*t4909 | ^ Warning: ‘t1741’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:28: 299 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 | ^ note: ‘t1741’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2554:57: 2554 | t5929 = 0.2250000000e2_dp*t1740*t471*t4905 | ^ Warning: ‘t1740’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:21: 299 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 | ^ note: ‘t1740’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1996:67: 1996 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1737’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:14: 299 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 | ^ note: ‘t1737’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:32: 2003 | t4352 = t1731*t67 | ^ Warning: ‘t1731’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:90: 298 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & | ^ note: ‘t1731’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2588:52: 2588 | t6019 = 0.7407407410e-1_dp*t719*t1726 | ^ Warning: ‘t1726’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:69: 298 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & | ^ note: ‘t1726’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2620:37: 2620 | *t6075 - t6078 | ^ Warning: ‘t1722’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:55: 298 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & | ^ note: ‘t1722’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2611:52: 2611 | t6063 = 0.1000000000e1_dp*t1720*t5956 | ^ Warning: ‘t1720’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:48: 298 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & | ^ note: ‘t1720’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:782:70: 782 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 | ^ Warning: ‘t172’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:41: 298 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & | ^ note: ‘t172’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2540:56: 2540 | t5902 = 0.1800000000e2_dp*t1718*t178*t710 | ^ Warning: ‘t1718’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:28: 298 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & | ^ note: ‘t1718’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2567:34: 2567 | t5964 = t1715*t1525 | ^ Warning: ‘t1715’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:14: 298 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & | ^ note: ‘t1715’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1996:67: 1996 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1712’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:87: 297 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & | ^ note: ‘t1712’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:707:26: 707 | t537 | ^ Warning: ‘t171’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:80: 297 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & | ^ note: ‘t171’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2584:38: 2584 | t6004 = t1709*t178*t710 | ^ Warning: ‘t1709’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:74: 297 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & | ^ note: ‘t1709’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2087:42: 2087 | *t83*t45*t3581*t140 | ^ Warning: ‘t1706’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:60: 297 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & | ^ note: ‘t1706’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1893:39: 1893 | *t165*t3865*t237 | ^ Warning: ‘t1703’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:46: 297 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & | ^ note: ‘t1703’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1879:71: 1879 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 | ^ Warning: ‘t1700’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:32: 297 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & | ^ note: ‘t1700’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2483:61: 2483 | t5738 = 0.4444444445e0_dp*t170*t114*t4782*t451 | ^ Warning: ‘t170’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:25: 297 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & | ^ note: ‘t170’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:707:26: 707 | t537 | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:19: 297 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & | ^ note: ‘t17’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2087:42: 2087 | *t83*t45*t3581*t140 | ^ Warning: ‘t1694’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:84: 296 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & | ^ note: ‘t1694’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1879:71: 1879 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 | ^ Warning: ‘t1689’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:70: 296 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & | ^ note: ‘t1689’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2654:37: 2654 | t6175 = t83*t597*t1688 | ^ Warning: ‘t1688’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:63: 296 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & | ^ note: ‘t1688’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2419:33: 2419 | t5565 = t112*t1685 | ^ Warning: ‘t1685’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:56: 296 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & | ^ note: ‘t1685’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2403:43: 2403 | t5528 = t102*t327*t1684*t557 | ^ Warning: ‘t1684’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:49: 296 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & | ^ note: ‘t1684’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2392:38: 2392 | t5496 = t366*t368*t1681 | ^ Warning: ‘t1681’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:42: 296 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & | ^ note: ‘t1681’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2397:38: 2397 | t5511 = t1680*t3673*t23 | ^ Warning: ‘t1680’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:35: 296 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & | ^ note: ‘t1680’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2391:49: 2391 | t5494 = 0.6400000000e2_dp*t7*t1677 | ^ Warning: ‘t1677’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:21: 296 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & | ^ note: ‘t1677’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2393:44: 2393 | t5499 = 0.120e2_dp*t550*t1669 | ^ Warning: ‘t1669’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:89: 295 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & | ^ note: ‘t1669’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2395:52: 2395 | t5507 = 0.120e2_dp*t7*t640*t1667*t371 | ^ Warning: ‘t1667’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:82: 295 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & | ^ note: ‘t1667’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:707:26: 707 | t537 | ^ Warning: ‘t166’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:54: 295 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & | ^ note: ‘t166’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2389:52: 2389 | t5489 = 0.1600000000e2_dp*t1429*t1658 | ^ Warning: ‘t1658’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:48: 295 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & | ^ note: ‘t1658’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2388:54: 2388 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 | ^ Warning: ‘t1652’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:27: 295 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & | ^ note: ‘t1652’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2499:57: 2499 | t5783 = 0.5555555557e-1_dp*t165*t5013*t433 | ^ Warning: ‘t165’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:20: 295 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & | ^ note: ‘t165’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2161:56: 2161 | t102*t4838 - 0.20e1_dp*t102*t4850 | ^ Warning: ‘t1645’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:90: 294 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & | ^ note: ‘t1645’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2386:49: 2386 | t5482 = 0.2160000000e3_dp*t7*t1642 | ^ Warning: ‘t1642’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:76: 294 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & | ^ note: ‘t1642’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2252:66: 2252 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t1640’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:69: 294 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & | ^ note: ‘t1640’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:660:31: 660 | t445 = t164*t444 | ^ Warning: ‘t164’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:62: 294 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & | ^ note: ‘t164’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2405:44: 2405 | t5533 = 0.160e2_dp*t112*t1632 | ^ Warning: ‘t1632’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:35: 294 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & | ^ note: ‘t1632’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t1631’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:28: 294 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & | ^ note: ‘t1631’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2404:44: 2404 | t5531 = 0.160e2_dp*t112*t1626 | ^ Warning: ‘t1626’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:91: 293 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & | ^ note: ‘t1626’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1857:39: 1857 | *t321*t953*t1625 | ^ Warning: ‘t1625’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:84: 293 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & | ^ note: ‘t1625’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2407:44: 2407 | t5537 = 0.160e2_dp*t112*t1622 | ^ Warning: ‘t1622’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:70: 293 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & | ^ note: ‘t1622’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1857:39: 1857 | *t321*t953*t1625 | ^ Warning: ‘t1621’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:63: 293 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & | ^ note: ‘t1621’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2370:47: 2370 | t5446 = 0.480e2_dp*t24*t23*t1618 | ^ Warning: ‘t1618’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:49: 293 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & | ^ note: ‘t1618’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1857:39: 1857 | *t321*t953*t1625 | ^ Warning: ‘t1617’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:42: 293 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & | ^ note: ‘t1617’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1865:33: 1865 | *t339*t969 | ^ Warning: ‘t1616’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:35: 293 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & | ^ note: ‘t1616’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2402:51: 2402 | t5525 = 0.2133333334e2_dp*t339*t1611 | ^ Warning: ‘t1611’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:69: 292 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 | ^ note: ‘t1611’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1441:46: 1441 | - t1994 + t1997 - t2000 | ^ Warning: ‘t161’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:55: 292 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 | ^ note: ‘t161’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2383:51: 2383 | t5474 = 0.4266666668e2_dp*t339*t1608 | ^ Warning: ‘t1608’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:49: 292 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 | ^ note: ‘t1608’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2372:44: 2372 | t5451 = 0.640e2_dp*t605*t1603 | ^ Warning: ‘t1603’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:28: 292 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 | ^ note: ‘t1603’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1831:29: 1831 | *t3339 | ^ Warning: ‘t1602’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:21: 292 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 | ^ note: ‘t1602’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:641:31: 641 | t394 = t393*t160 | ^ Warning: ‘t160’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:95: 291 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & | ^ note: ‘t160’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1080:46: 1080 | t1439 = 0.1e1_dp/t787/t16*t1438 | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:89: 291 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & | ^ note: ‘t16’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2413:49: 2413 | t5551 = 0.1280e3_dp*t24*t298*t1599 | ^ Warning: ‘t1599’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:84: 291 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & | ^ note: ‘t1599’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t1598’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:77: 291 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & | ^ note: ‘t1598’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1871:70: 1871 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 | ^ Warning: ‘t1597’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:70: 291 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & | ^ note: ‘t1597’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2416:52: 2416 | t5560 = 0.2346666666e3_dp*t1589*t1592 | ^ Warning: ‘t1592’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:49: 291 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & | ^ note: ‘t1592’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1865:33: 1865 | *t339*t969 | ^ Warning: ‘t1589’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:35: 291 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & | ^ note: ‘t1589’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2374:46: 2374 | t5456 = 0.1280e3_dp*t1582*t1426 | ^ Warning: ‘t1582’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:91: 290 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & | ^ note: ‘t1582’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2087:42: 2087 | *t83*t45*t3581*t140 | ^ Warning: ‘t1575’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:63: 290 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & | ^ note: ‘t1575’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2652:56: 2652 | t6170 = 0.3333333336e0_dp*t289*t597*t1571 | ^ Warning: ‘t1571’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:49: 290 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & | ^ note: ‘t1571’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1893:39: 1893 | *t165*t3865*t237 | ^ Warning: ‘t1568’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:35: 290 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & | ^ note: ‘t1568’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1893:39: 1893 | *t165*t3865*t237 | ^ Warning: ‘t1565’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:28: 290 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & | ^ note: ‘t1565’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2656:38: 2656 | t6181 = t289*t1564*t593 | ^ Warning: ‘t1564’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:21: 290 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & | ^ note: ‘t1564’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1633:65: 1633 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 | ^ Warning: ‘t156’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:89: 289 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & | ^ note: ‘t156’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2666:56: 2666 | t6201 = 0.3333333336e0_dp*t289*t597*t1557 | ^ Warning: ‘t1557’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:83: 289 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & | ^ note: ‘t1557’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2657:56: 2657 | t6185 = 0.3333333336e0_dp*t289*t597*t1553 | ^ Warning: ‘t1553’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:69: 289 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & | ^ note: ‘t1553’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1621:39: 1621 | *t400*t401*t2230 | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:55: 289 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & | ^ note: ‘t155’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1879:71: 1879 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 | ^ Warning: ‘t1547’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:42: 289 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & | ^ note: ‘t1547’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2079:39: 2079 | *t289*t294*t1553 | ^ Warning: ‘t1546’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:35: 289 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & | ^ note: ‘t1546’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2098:96: 2098 | t3869 + t4657 + t4696) | ^ Warning: ‘t1536’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:91: 288 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & | ^ note: ‘t1536’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2164:42: 2164 | t4864 = t217*t46*t1535*t561 | ^ Warning: ‘t1535’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:84: 288 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & | ^ note: ‘t1535’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2070:60: 2070 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t1531’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:77: 288 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & | ^ note: ‘t1531’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2192:52: 2192 | t4932 = 0.5000000001e0_dp*t1528*t4908 | ^ Warning: ‘t1528’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:63: 288 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & | ^ note: ‘t1528’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2200:33: 2200 | t4952 = t719*t1525 | ^ Warning: ‘t1525’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:56: 288 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & | ^ note: ‘t1525’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2612:42: 2612 | t6066 = t1519*t705*t561*t65 | ^ Warning: ‘t1519’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:42: 288 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & | ^ note: ‘t1519’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2589:39: 2589 | t6021 = t649*t1518*t1722 | ^ Warning: ‘t1518’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:35: 288 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & | ^ note: ‘t1518’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2190:52: 2190 | t4925 = 0.5000000001e0_dp*t1513*t4908 | ^ Warning: ‘t1513’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:14: 288 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & | ^ note: ‘t1513’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1983:41: 1983 | t192*t68*t4256*t65 | ^ Warning: ‘t1510’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:87: 287 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & | ^ note: ‘t1510’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1395:80: 1395 | + t1482 + t1479 - t1489 + 0.3333333334e0_dp*t55*t57*t2042 | ^ Warning: ‘t151’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:80: 287 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & | ^ note: ‘t151’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2184:52: 2184 | t4911 = 0.8999999998e1_dp*t1507*t4909 | ^ Warning: ‘t1507’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:67: 287 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & | ^ note: ‘t1507’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2181:57: 2181 | t4907 = 0.2250000000e2_dp*t1506*t471*t4905 | ^ Warning: ‘t1506’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:60: 287 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & | ^ note: ‘t1506’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2556:38: 2556 | t5938 = t192*t728*t1505 | ^ Warning: ‘t1505’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:53: 287 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & | ^ note: ‘t1505’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2606:37: 2606 | t6052 = t1504*t561*t65 | ^ Warning: ‘t1504’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:46: 287 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & | ^ note: ‘t1504’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2174:39: 2174 | t4895 = t478*t1500*t4729 | ^ Warning: ‘t1500’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:32: 287 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & | ^ note: ‘t1500’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1744:85: 1744 | + t3288) | ^ Warning: ‘t150’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:25: 287 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & | ^ note: ‘t150’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2171:57: 2171 | t4887 = 0.1800000000e2_dp*t473*t1493*t4729 | ^ Warning: ‘t1493’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:90: 286 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & | ^ note: ‘t1493’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:570:31: 570 | t250 = t149*t249 | ^ Warning: ‘t149’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:76: 286 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & | ^ note: ‘t149’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2633:59: 2633 | t6112 = 0.5555555556e-1_dp*t1246*t4553*t1483 | ^ Warning: ‘t1483’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:56: 286 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & | ^ note: ‘t1483’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2233:38: 2233 | + t5032 + t5035 | ^ Warning: ‘t1471’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:28: 286 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & | ^ note: ‘t1471’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1783:38: 1783 | t165*t171*t3449 | ^ Warning: ‘t1470’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:74: 285 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 | ^ note: ‘t1470’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2233:38: 2233 | + t5032 + t5035 | ^ Warning: ‘t1466’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:61: 285 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 | ^ note: ‘t1466’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2233:38: 2233 | + t5032 + t5035 | ^ Warning: ‘t1459’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:48: 285 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 | ^ note: ‘t1459’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2786:32: 2786 | t6557 = t1447*t59 | ^ Warning: ‘t1447’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:21: 285 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 | ^ note: ‘t1447’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2406:45: 2406 | t5535 = 0.640e2_dp*t1582*t1444 | ^ Warning: ‘t1444’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:14: 285 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 | ^ note: ‘t1444’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2425:53: 2425 | t5579 = 0.80e1_dp*t102*t327*t645*t1443 | ^ Warning: ‘t1443’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:97: 284 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: ‘t1443’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2155:59: 2155 | - 0.2400000000e2_dp*t786/t2492*t1058 | ^ Warning: ‘t1440’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:90: 284 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: ‘t1440’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2079:39: 2079 | *t289*t294*t1553 | ^ Warning: ‘t144’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:83: 284 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: ‘t144’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:34: 1842 | t3679 = t2565*t1439 | ^ Warning: ‘t1439’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:77: 284 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: ‘t1439’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2252:66: 2252 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 | ^ Warning: ‘t1438’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:70: 284 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: ‘t1438’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t1429’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:56: 284 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: ‘t1429’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2374:46: 2374 | t5456 = 0.1280e3_dp*t1582*t1426 | ^ Warning: ‘t1426’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:49: 284 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: ‘t1426’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2384:55: 2384 | t5478 = 0.240e2_dp*t1616*t973*t645*t1425 | ^ Warning: ‘t1425’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:42: 284 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: ‘t1425’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2379:51: 2379 | t5468 = 0.2346666666e3_dp*t605*t1420 | ^ Warning: ‘t1420’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:35: 284 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: ‘t1420’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2098:96: 2098 | t3869 + t4657 + t4696) | ^ Warning: ‘t1411’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:14: 284 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: ‘t1411’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2644:58: 2644 | t6155 = 0.2500000000e0_dp*t1981*t4032*t1410 | ^ Warning: ‘t1410’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:94: 283 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & | ^ note: ‘t1410’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:713:98: 713 | t46*t541))*sx | ^ Warning: ‘t141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:87: 283 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & | ^ note: ‘t141’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2098:96: 2098 | t3869 + t4657 + t4696) | ^ Warning: ‘t1409’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:81: 283 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & | ^ note: ‘t1409’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:782:70: 782 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 | ^ Warning: ‘t140’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:53: 283 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & | ^ note: ‘t140’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1725:80: 1725 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 | ^ Warning: ‘t14’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:47: 283 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & | ^ note: ‘t14’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2441:57: 2441 | t5622 = 0.1666666667e0_dp*t165*t1392*t4729 | ^ Warning: ‘t1392’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:28: 283 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & | ^ note: ‘t1392’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2042:44: 2042 | + (2*t147*t1284*t672) | ^ Warning: ‘t1388’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:21: 283 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & | ^ note: ‘t1388’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2070:60: 2070 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t1387’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:14: 283 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & | ^ note: ‘t1387’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2034:41: 2034 | *t1246*t3244*t1483 | ^ Warning: ‘t1377’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:95: 282 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ note: ‘t1377’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2366:39: 2366 | t5432 = t1373*t446*t5430 | ^ Warning: ‘t1373’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:88: 282 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ note: ‘t1373’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2259:34: 2259 | *t105*t5118 | ^ Warning: ‘t137’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:74: 282 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ note: ‘t137’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1783:38: 1783 | t165*t171*t3449 | ^ Warning: ‘t1368’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:68: 282 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ note: ‘t1368’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2051:58: 2051 | + 0.3333333334e0_dp*t165*t437*t1688 | ^ Warning: ‘t1360’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:54: 282 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ note: ‘t1360’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:606:31: 606 | t328 = t136*t233 | ^ Warning: ‘t136’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:47: 282 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ note: ‘t136’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2026:66: 2026 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 | ^ Warning: ‘t1348’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:41: 282 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ note: ‘t1348’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1910:40: 1910 | *t400*t1333*t1410 | ^ Warning: ‘t1340’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:27: 282 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ note: ‘t1340’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2448:57: 2448 | t5641 = 0.1500000000e1_dp*t405*t1333*t4729 | ^ Warning: ‘t1333’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:20: 282 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ note: ‘t1333’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:745:73: 745 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:13: 282 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^ note: ‘t133’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1923:34: 1923 | t1320*t1483 | ^ Warning: ‘t1320’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:93: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t1320’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:745:73: 745 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t132’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:86: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t132’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1923:34: 1923 | t1320*t1483 | ^ Warning: ‘t1316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:80: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t1316’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1536:43: 1536 | t2565 = t126/t131/t1056/t130 | ^ Warning: ‘t131’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:73: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t131’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2459:57: 2459 | t5670 = 0.2250000000e1_dp*t400*t1309*t4729 | ^ Warning: ‘t1309’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:67: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t1309’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2463:57: 2463 | t5679 = 0.1875000000e1_dp*t1302*t406*t5002 | ^ Warning: ‘t1302’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:60: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t1302’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1900:33: 1900 | t3939 = t1301*t245 | ^ Warning: ‘t1301’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:53: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t1301’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2716:54: 2716 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: ‘t1300’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:46: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t1300’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1536:43: 1536 | t2565 = t126/t131/t1056/t130 | ^ Warning: ‘t130’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:39: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t130’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:808:44: 808 | t796 = 0.1e1_dp/t787/t13*t795 | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:33: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t13’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2364:57: 2364 | t5429 = 0.1666666667e0_dp*t445*t1292*t5143 | ^ Warning: ‘t1292’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:28: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t1292’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2042:44: 2042 | + (2*t147*t1284*t672) | ^ Warning: ‘t1284’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:14: 281 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & | ^ note: ‘t1284’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2019:39: 2019 | *t429*t1928*t290 | ^ Warning: ‘t1283’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:96: 280 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & | ^ note: ‘t1283’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2061:71: 2061 | *t3507 - t3512)*t149*t160 | ^ Warning: ‘t1275’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:89: 280 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & | ^ note: ‘t1275’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2026:66: 2026 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 | ^ Warning: ‘t1264’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:75: 280 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & | ^ note: ‘t1264’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:745:73: 745 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:68: 280 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & | ^ note: ‘t126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2497:59: 2497 | t5776 = 0.2777777778e-1_dp*t1246*t1247*t5009 | ^ Warning: ‘t1247’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:55: 280 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & | ^ note: ‘t1247’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2497:59: 2497 | t5776 = 0.2777777778e-1_dp*t1246*t1247*t5009 | ^ Warning: ‘t1246’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:48: 280 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & | ^ note: ‘t1246’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2010:66: 2010 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t1235’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:27: 280 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & | ^ note: ‘t1235’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1667:76: 1667 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 | ^ Warning: ‘t123’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:20: 280 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & | ^ note: ‘t123’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1990:66: 1990 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t1224’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:14: 280 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & | ^ note: ‘t1224’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1996:67: 1996 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1221’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:95: 279 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & | ^ note: ‘t1221’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:619:81: 619 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 | ^ Warning: ‘t122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:88: 279 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & | ^ note: ‘t122’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2002:64: 2002 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t1216’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:82: 279 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & | ^ note: ‘t1216’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1983:41: 1983 | t192*t68*t4256*t65 | ^ Warning: ‘t1213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:75: 279 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & | ^ note: ‘t1213’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1954:37: 1954 | *t58*t3796*t71 | ^ Warning: ‘t1207’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:61: 279 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & | ^ note: ‘t1207’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1996:67: 1996 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1201’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:47: 279 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & | ^ note: ‘t1201’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1990:66: 1990 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t1200’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:40: 279 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & | ^ note: ‘t1200’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1803:35: 1803 | t3546 = 0.1e1_dp/t12 | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:33: 279 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & | ^ note: ‘t12’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2010:66: 2010 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t1194’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:28: 279 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & | ^ note: ‘t1194’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1940:66: 1940 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 | ^ Warning: ‘t1193’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:69: 278 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 | ^ note: ‘t1193’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2010:66: 2010 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t1192’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:62: 278 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 | ^ note: ‘t1192’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1841:54: 1841 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:48: 278 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 | ^ note: ‘t119’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2010:66: 2010 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: ‘t1189’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:42: 278 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 | ^ note: ‘t1189’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1975:29: 1975 | *t3382 | ^ Warning: ‘t1176’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:35: 278 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 | ^ note: ‘t1176’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2034:41: 2034 | *t1246*t3244*t1483 | ^ Warning: ‘t1172’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:28: 278 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 | ^ note: ‘t1172’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2034:41: 2034 | *t1246*t3244*t1483 | ^ Warning: ‘t1168’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:21: 278 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 | ^ note: ‘t1168’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1965:39: 1965 | *t478*t183*t3918 | ^ Warning: ‘t1161’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:14: 278 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 | ^ note: ‘t1161’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:745:73: 745 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:95: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t116’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1975:29: 1975 | *t3382 | ^ Warning: ‘t1157’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:89: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1157’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2528:57: 2528 | t5864 = 0.1800000000e2_dp*t473*t1150*t4729 | ^ Warning: ‘t1150’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:82: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1150’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1187:50: 1187 | t1636 = 0.5600000000e2_dp*t624*t115 | ^ Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:75: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t115’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2505:57: 2505 | t5801 = 0.3600000000e2_dp*t1143*t479*t5002 | ^ Warning: ‘t1143’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:69: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1143’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:33: 1966 | t4230 = t1142*t262 | ^ Warning: ‘t1142’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:62: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1142’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2613:63: 2613 | t6074 = 0.8099999996e2_dp*t496*t4769*t1141*t4915 | ^ Warning: ‘t1141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:55: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1141’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:619:81: 619 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 | ^ Warning: ‘t114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:41: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t114’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1990:66: 1990 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t1137’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:35: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1137’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1990:66: 1990 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t1134’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:28: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1134’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2002:64: 2002 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t1129’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:21: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1129’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1954:37: 1954 | *t58*t3796*t71 | ^ Warning: ‘t1126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:14: 277 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & | ^ note: ‘t1126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1996:67: 1996 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:95: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1125’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1990:66: 1990 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 | ^ Warning: ‘t1122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:88: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1122’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2419:33: 2419 | t5565 = t112*t1685 | ^ Warning: ‘t112’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:81: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t112’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1996:67: 1996 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 | ^ Warning: ‘t1119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:75: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1119’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1954:37: 1954 | *t58*t3796*t71 | ^ Warning: ‘t1111’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:68: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1111’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2002:64: 2002 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ Warning: ‘t1109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:61: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1109’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1940:66: 1940 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 | ^ Warning: ‘t1106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:54: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1106’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1983:41: 1983 | t192*t68*t4256*t65 | ^ Warning: ‘t1101’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:47: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1101’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2070:60: 2070 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t1100’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:40: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1100’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:608:30: 608 | t332 = t11*t114 | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:33: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t11’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1983:41: 1983 | t192*t68*t4256*t65 | ^ Warning: ‘t1097’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:21: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1097’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2070:60: 2070 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: ‘t1093’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:14: 276 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & | ^ note: ‘t1093’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2034:41: 2034 | *t1246*t3244*t1483 | ^ Warning: ‘t1085’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:89: 275 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1085’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:740:45: 740 | t635 = -4*t108 + 4*t332*my_rho | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:75: 275 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t108’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2318:57: 2318 | t5311 = 0.1666666668e0_dp*t289*t1071*t4701 | ^ Warning: ‘t1071’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:55: 275 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1071’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:745:73: 745 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 | ^ Warning: ‘t107’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:48: 275 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t107’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2053:33: 2053 | t4575 = t1067*t561 | ^ Warning: ‘t1067’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:35: 275 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1067’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1831:29: 1831 | *t3339 | ^ Warning: ‘t1064’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:28: 275 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1064’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1857:39: 1857 | *t321*t953*t1625 | ^ Warning: ‘t1063’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:21: 275 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1063’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2725:40: 2725 | *t1054*t640*t3679 | ^ Warning: ‘t1060’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:14: 275 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & | ^ note: ‘t1060’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1461:31: 1461 | t2204 = t10*t106 | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:95: 274 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t106’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2155:59: 2155 | - 0.2400000000e2_dp*t786/t2492*t1058 | ^ Warning: ‘t1058’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:82: 274 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1058’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2400:67: 2400 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 | ^ Warning: ‘t1055’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:68: 274 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1055’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2725:40: 2725 | *t1054*t640*t3679 | ^ Warning: ‘t1054’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:61: 274 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1054’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t1050’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:54: 274 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1050’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:565:31: 565 | t234 = t105*t233 | ^ Warning: ‘t105’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:47: 274 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t105’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1841:54: 1841 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t1046’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:41: 274 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1046’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1841:54: 1841 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t1044’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:34: 274 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1044’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:599:30: 599 | t316 = t97*t104 | ^ Warning: ‘t104’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:20: 274 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t104’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t1036’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:14: 274 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & | ^ note: ‘t1036’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t1034’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:96: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1034’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t1030’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:82: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1030’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:876:29: 876 | t972 = t103**2 | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:75: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t103’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t1026’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:69: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1026’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t1024’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:62: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1024’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t1021’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:55: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1021’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:2403:43: 2403 | t5528 = t102*t327*t1684*t557 | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:48: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t102’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1764:32: 1764 | t12*t1058 | ^ Warning: ‘t1014’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:35: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1014’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t1012’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:28: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1012’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1850:40: 1850 | *t786*t1034*t1681 | ^ Warning: ‘t1008’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:21: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1008’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1841:54: 1841 | + 0.3200000000e2_dp*t1055*t3674 | ^ Warning: ‘t1004’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:14: 273 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & | ^ note: ‘t1004’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:1831:29: 1831 | *t3339 | ^ Warning: ‘t1000’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:272:90: 272 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & | ^ note: ‘t1000’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:895:50: 895 | t1019 = 0.1e1_dp/t19/t1014*t787*t10 | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F:272:83: 272 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & | ^ note: ‘t10’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_xbecke88_lr_adiabatic.mod' due to: xc_xbecke88_lr_adiabatic.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_lr_adiabatic.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_xbeef.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbeef.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbeef.F xc_xbeef.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:43:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbeef.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbeef.F:489:109: 489 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx | ^ Warning: ‘dt’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbeef.F:489:109: Warning: ‘ds_rho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbeef.F:490:89: 490 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx | ^ Warning: ‘ds_ndrho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbeef.F:287:99: 287 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx | ^ Warning: ‘dt’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbeef.F:287:99: Warning: ‘ds_rho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbeef.F:288:79: 288 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx | ^ Warning: ‘ds_ndrho’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_xbeef.mod' due to: xc_xbeef.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbeef.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_pade.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pade.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pade.F xc_pade.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:43:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_pade.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_pade.mod' due to: xc_pade.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_pade.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_tpss.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_tpss.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_tpss.F xc_tpss.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:43:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_tpss.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_tpss.mod' due to: xc_tpss.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_tpss.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_xbecke_roussel.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:43:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbecke_roussel.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2472:31: 2472 | t305 = t99*t271*R*t302 | ^ Warning: ‘t99’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2304:36: 2304 | t9, t91, t94, t97, t98, t99 | ^ note: ‘t99’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2578:28: 2578 | t614 = t43*t612*t98 | ^ Warning: ‘t98’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2304:31: 2304 | t9, t91, t94, t97, t98, t99 | ^ note: ‘t98’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2572:34: 2572 | + t36*t37/0.4e1_dp | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2304:11: 2304 | t9, t91, t94, t97, t98, t99 | ^ note: ‘t9’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2477:24: 2477 | t318 = t123*t81 | ^ Warning: ‘t81’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:81: 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & | ^ note: ‘t81’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2479:28: 2479 | t330 = t179*t80*t98 | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:76: 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & | ^ note: ‘t80’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2572:34: 2572 | + t36*t37/0.4e1_dp | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:71: 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & | ^ note: ‘t8’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2435:25: 2435 | t215 = t76*gamma | ^ Warning: ‘t76’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:62: 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & | ^ note: ‘t76’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2542:24: 2542 | t504 = t74*t227 | ^ Warning: ‘t74’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:57: 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & | ^ note: ‘t74’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2434:22: 2434 | t213 = t7*t54 | ^ Warning: ‘t7’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2303:37: 2303 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & | ^ note: ‘t7’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2430:25: 2430 | t205 = t66*gamma | ^ Warning: ‘t66’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2302:58: 2302 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 | ^ note: ‘t66’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2440:32: 2440 | t227 = 0.1e1_dp/t65/t29 | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2302:35: 2302 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 | ^ note: ‘t65’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2540:23: 2540 | t500 = t64*t76 | ^ Warning: ‘t64’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2302:18: 2302 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 | ^ note: ‘t64’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2439:22: 2439 | t224 = t6*t63 | ^ Warning: ‘t63’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2301:96: 2301 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & | ^ note: ‘t63’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2412:22: 2412 | t161 = t6*rho | ^ Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2301:51: 2301 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & | ^ note: ‘t6’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2413:25: 2413 | t163 = t57*gamma | ^ Warning: ‘t57’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2301:12: 2301 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & | ^ note: ‘t57’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2538:23: 2538 | t496 = t55*t66 | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2300:81: 2300 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & | ^ note: ‘t55’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2437:26: 2437 | t220 = t6*t54*t27 | ^ Warning: ‘t54’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2300:58: 2300 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & | ^ note: ‘t54’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2425:22: 2425 | t187 = t7*t45 | ^ Warning: ‘t45’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2298:69: 2298 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & | ^ note: ‘t45’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2475:21: 2475 | t310 = R*t43 | ^ Warning: ‘t43’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2298:35: 2298 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & | ^ note: ‘t43’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2420:28: 2420 | t179 = 0.1e1_dp/t41 | ^ Warning: ‘t41’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2297:87: 2297 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & | ^ note: ‘t41’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2533:31: 2533 | - t36*t37*gamma | ^ Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2297:30: 2297 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & | ^ note: ‘t37’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2533:31: 2533 | - t36*t37*gamma | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2296:97: 2296 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & | ^ note: ‘t36’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2409:28: 2409 | t154 = 0.1e1_dp/t35 | ^ Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2296:74: 2296 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & | ^ note: ‘t35’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2427:25: 2427 | t192 = t30*gamma | ^ Warning: ‘t30’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2295:39: 2295 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 | ^ note: ‘t30’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2440:32: 2440 | t227 = 0.1e1_dp/t65/t29 | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2295:18: 2295 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 | ^ note: ‘t29’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2536:23: 2536 | t492 = t28*t57 | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2294:80: 2294 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & | ^ note: ‘t28’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2437:26: 2437 | t220 = t6*t54*t27 | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2294:51: 2294 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & | ^ note: ‘t27’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2471:42: 2471 | *t110*t275 - t109*t112/t26 | ^ Warning: ‘t26’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2294:34: 2294 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & | ^ note: ‘t26’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2419:49: 2419 | *t4*t144*t19 - t175*t151/0.8e1_dp | ^ Warning: ‘t20’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2292:75: 2292 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & | ^ note: ‘t20’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2419:49: 2419 | *t4*t144*t19 - t175*t151/0.8e1_dp | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2292:48: 2292 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & | ^ note: ‘t19’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2601:66: 2601 | *t271*t650/0.24e2_dp)*sx | ^ Warning: ‘t138’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:37: 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & | ^ note: ‘t138’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2490:76: 2490 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx | ^ Warning: ‘t136’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:31: 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & | ^ note: ‘t136’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2490:76: 2490 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx | ^ Warning: ‘t134’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:25: 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & | ^ note: ‘t134’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2490:76: 2490 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:19: 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & | ^ note: ‘t133’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2599:36: 2599 | - 0.4e1_dp*t679*t131 | ^ Warning: ‘t131’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2291:13: 2291 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & | ^ note: ‘t131’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2471:42: 2471 | *t110*t275 - t109*t112/t26 | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:89: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t13’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: 2487 | - 0.4e1_dp*t337*t131 | ^ Warning: ‘t128’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:84: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t128’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2599:36: 2599 | - 0.4e1_dp*t679*t131 | ^ Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:78: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2467:25: 2467 | t292 = t180*t125 | ^ Warning: ‘t125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:72: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t125’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: 2487 | - 0.4e1_dp*t337*t131 | ^ Warning: ‘t124’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:66: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t124’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: 2487 | - 0.4e1_dp*t337*t131 | ^ Warning: ‘t123’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:60: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t123’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2591:28: 2591 | *t653)*t121 | ^ Warning: ‘t121’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:54: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t121’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2442:24: 2442 | t229 = t228*t12 | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:48: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t12’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2450:25: 2450 | t235 = t234*t118 | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:37: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t118’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2599:36: 2599 | - 0.4e1_dp*t679*t131 | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:31: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t117’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2487:36: 2487 | - 0.4e1_dp*t337*t131 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:25: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t116’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2460:34: 2460 | t270 = 0.1e1_dp/t115/t114 | ^ Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:19: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t115’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2460:34: 2460 | t270 = 0.1e1_dp/t115/t114 | ^ Warning: ‘t114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2290:13: 2290 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & | ^ note: ‘t114’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2471:42: 2471 | *t110*t275 - t109*t112/t26 | ^ Warning: ‘t112’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:97: 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t112’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2588:26: 2588 | *t110*t275 | ^ Warning: ‘t110’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:85: 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t110’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2588:26: 2588 | *t110*t275 | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:79: 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t109’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2464:30: 2464 | t280 = t102*t103*t108 | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:73: 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t108’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2465:23: 2465 | t285 = t106**2 | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:67: 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t106’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2466:25: 2466 | t287 = t105/t285 | ^ Warning: ‘t105’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:61: 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t105’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2462:35: 2462 | t274 = t101*t104*t108*t110 | ^ Warning: ‘t104’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:55: 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t104’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2464:30: 2464 | t280 = t102*t103*t108 | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:49: 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t103’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2464:30: 2464 | t280 = t102*t103*t108 | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:43: 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t102’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2462:35: 2462 | t274 = t101*t104*t108*t110 | ^ Warning: ‘t101’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2289:37: 2289 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t101’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2118:33: 2118 | t301 = t99*t299/0.3e1_dp | ^ Warning: ‘t99’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:95: 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: ‘t99’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2231:28: 2231 | t614 = t43*t612*t98 | ^ Warning: ‘t98’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:90: 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: ‘t98’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2225:34: 2225 | + t36*t37/0.4e1_dp | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:70: 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: ‘t9’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2102:29: 2102 | t259 = t81*t231*t257 | ^ Warning: ‘t81’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:51: 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: ‘t81’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2124:24: 2124 | t312 = t80*t231 | ^ Warning: ‘t80’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:46: 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: ‘t80’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2225:34: 2225 | + t36*t37/0.4e1_dp | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:41: 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: ‘t8’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2080:25: 2080 | t211 = t76*gamma | ^ Warning: ‘t76’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:32: 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: ‘t76’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2192:24: 2192 | t502 = t74*t223 | ^ Warning: ‘t74’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1953:27: 1953 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: ‘t74’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2079:22: 2079 | t209 = t7*t54 | ^ Warning: ‘t7’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1952:94: 1952 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & | ^ note: ‘t7’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2075:25: 2075 | t201 = t66*gamma | ^ Warning: ‘t66’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1952:55: 1952 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & | ^ note: ‘t66’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2085:32: 2085 | t223 = 0.1e1_dp/t65/t29 | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1952:26: 1952 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & | ^ note: ‘t65’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2190:23: 2190 | t498 = t64*t76 | ^ Warning: ‘t64’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1951:70: 1951 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 | ^ note: ‘t64’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2084:22: 2084 | t220 = t6*t63 | ^ Warning: ‘t63’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1951:47: 1951 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 | ^ note: ‘t63’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2059:22: 2059 | t162 = t6*rho | ^ Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1950:80: 1950 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & | ^ note: ‘t6’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2060:25: 2060 | t164 = t57*gamma | ^ Warning: ‘t57’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1950:53: 1950 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & | ^ note: ‘t57’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2188:23: 2188 | t494 = t55*t66 | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1950:24: 1950 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & | ^ note: ‘t55’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2082:26: 2082 | t216 = t6*t54*t27 | ^ Warning: ‘t54’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1949:82: 1949 | t502, t503, t506, t508, t519, t52, t521, t523, t524, t526, t527, t53, t54, t543, t545, & | ^ note: ‘t54’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2070:22: 2070 | t183 = t7*t45 | ^ Warning: ‘t45’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1947:81: 1947 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & | ^ note: ‘t45’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2094:28: 2094 | t230 = t43*t228*t98 | ^ Warning: ‘t43’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1947:35: 1947 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & | ^ note: ‘t43’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2067:28: 2067 | t180 = 0.1e1_dp/t41 | ^ Warning: ‘t41’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1946:93: 1946 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & | ^ note: ‘t41’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2183:31: 2183 | - t36*t37*gamma | ^ Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1946:24: 1946 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & | ^ note: ‘t37’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2183:31: 2183 | - t36*t37*gamma | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1945:85: 1945 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & | ^ note: ‘t36’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2056:28: 2056 | t155 = 0.1e1_dp/t35 | ^ Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1945:62: 1945 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & | ^ note: ‘t35’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2072:25: 2072 | t188 = t30*gamma | ^ Warning: ‘t30’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1944:28: 1944 | t297, t299, t3, t30, t301, t303, t306, t307, t308, t31, t310, t312 | ^ note: ‘t30’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2085:32: 2085 | t223 = 0.1e1_dp/t65/t29 | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:93: 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & | ^ note: ‘t29’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2186:23: 2186 | t490 = t28*t57 | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:76: 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & | ^ note: ‘t28’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2082:26: 2082 | t216 = t6*t54*t27 | ^ Warning: ‘t27’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:53: 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & | ^ note: ‘t27’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2116:42: 2116 | *t110*t273 - t109*t112/t26 | ^ Warning: ‘t26’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1943:12: 1943 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & | ^ note: ‘t26’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2066:49: 2066 | *t4*t145*t19 - t176*t152/0.8e1_dp | ^ Warning: ‘t20’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1941:57: 1941 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & | ^ note: ‘t20’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2066:49: 2066 | *t4*t145*t19 - t176*t152/0.8e1_dp | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1941:42: 1941 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & | ^ note: ‘t19’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2137:56: 2137 | - t139*t269*t297/0.24e2_dp)*sx | ^ Warning: ‘t139’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1940:25: 1940 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & | ^ note: ‘t139’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2137:56: 2137 | - t139*t269*t297/0.24e2_dp)*sx | ^ Warning: ‘t138’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1940:19: 1940 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & | ^ note: ‘t138’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: 2135 | /0.3e1_dp | ^ Warning: ‘t135’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1940:13: 1940 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & | ^ note: ‘t135’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: 2135 | /0.3e1_dp | ^ Warning: ‘t134’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:95: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t134’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2249:70: 2249 | t674 = (-t601 - t614 + t627 - t629 - t630 + t633 + t653)*t132 | ^ Warning: ‘t132’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:89: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t132’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2116:42: 2116 | *t110*t273 - t109*t112/t26 | ^ Warning: ‘t13’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:83: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t13’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2256:25: 2256 | /0.3e1_dp | ^ Warning: ‘t129’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:78: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t129’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: 2135 | /0.3e1_dp | ^ Warning: ‘t125’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:72: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t125’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2069:25: 2069 | t182 = t181*t124 | ^ Warning: ‘t124’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:66: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t124’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2135:25: 2135 | /0.3e1_dp | ^ Warning: ‘t123’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:60: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t123’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2245:69: 2245 | t655 = (t601 + t614 - t627 - t629 - t630 + t633 + t653)*t121 | ^ Warning: ‘t121’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:54: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t121’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2087:24: 2087 | t225 = t224*t12 | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:48: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t12’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2104:25: 2104 | t262 = t230*t118 | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:37: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t118’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2106:27: 2106 | t265 = t117*R*t257 | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:31: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t117’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2137:56: 2137 | - t139*t269*t297/0.24e2_dp)*sx | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:25: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t116’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2108:45: 2108 | t269 = REAL(t100, KIND=dp)/t115/t114 | ^ Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:19: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t115’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2108:45: 2108 | t269 = REAL(t100, KIND=dp)/t115/t114 | ^ Warning: ‘t114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1939:13: 1939 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: ‘t114’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2116:42: 2116 | *t110*t273 - t109*t112/t26 | ^ Warning: ‘t112’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:97: 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t112’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2242:26: 2242 | *t110*t273 | ^ Warning: ‘t110’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:85: 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t110’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2242:26: 2242 | *t110*t273 | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:79: 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t109’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2111:30: 2111 | t278 = t102*t103*t108 | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:73: 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t108’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2112:23: 2112 | t283 = t106**2 | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:67: 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t106’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2113:25: 2113 | t285 = t105/t283 | ^ Warning: ‘t105’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:61: 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t105’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2109:35: 2109 | t272 = t101*t104*t108*t110 | ^ Warning: ‘t104’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:55: 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t104’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2111:30: 2111 | t278 = t102*t103*t108 | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:49: 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t103’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2111:30: 2111 | t278 = t102*t103*t108 | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:43: 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t102’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:2109:35: 2109 | t272 = t101*t104*t108*t110 | ^ Warning: ‘t101’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1938:37: 1938 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: ‘t101’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1666:33: 1666 | t232 = 0.1e1_dp/t100/t99 | ^ Warning: ‘t99’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1527:22: 1527 | t96, t97, t99 | ^ note: ‘t99’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1722:46: 1722 | (-t385 - t341 + t387)*t95*t237 | ^ Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1527:17: 1527 | t96, t97, t99 | ^ note: ‘t97’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1802:88: 1802 | - t580 + t618)*t95*t237 | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:95: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t95’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1802:88: 1802 | - t580 + t618)*t95*t237 | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:90: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t94’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1722:46: 1722 | (-t385 - t341 + t387)*t95*t237 | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:85: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t93’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1672:22: 1672 | t247 = t91**2 | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:80: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t91’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1673:24: 1673 | t249 = t90/t247 | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:75: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t90’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1623:23: 1623 | t134 = t133*t9 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:70: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t9’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1668:23: 1668 | t234 = t86*t89 | ^ Warning: ‘t89’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:66: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t89’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1671:27: 1671 | t242 = t87*t88*t93 | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:61: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t88’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1671:27: 1671 | t242 = t87*t88*t93 | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:56: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t87’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1668:23: 1668 | t234 = t86*t89 | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:51: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t86’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1679:31: 1679 | t267 = t84*t233*R*t264 | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:41: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t84’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1789:28: 1789 | t580 = t23*t578*t83 | ^ Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1526:36: 1526 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & | ^ note: ‘t83’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1684:24: 1684 | t280 = t108*t66 | ^ Warning: ‘t66’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1525:53: 1525 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 | ^ note: ‘t66’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1525:24: 1525 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 | ^ note: ‘t65’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1641:25: 1641 | t177 = t61*gamma | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1524:50: 1524 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & | ^ note: ‘t61’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1795:21: 1795 | t612 = t3*t6 | ^ Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1524:45: 1524 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & | ^ note: ‘t6’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1749:24: 1749 | t462 = t59*t189 | ^ Warning: ‘t59’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1524:29: 1524 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & | ^ note: ‘t59’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1636:25: 1636 | t167 = t51*gamma | ^ Warning: ‘t51’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:90: 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & | ^ note: ‘t51’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1646:32: 1646 | t189 = 0.1e1_dp/t50/t32 | ^ Warning: ‘t50’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:67: 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & | ^ note: ‘t50’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1640:22: 1640 | t175 = t5*t39 | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:62: 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & | ^ note: ‘t5’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1747:23: 1747 | t458 = t49*t61 | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:58: 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & | ^ note: ‘t49’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1645:22: 1645 | t186 = t4*t48 | ^ Warning: ‘t48’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1522:35: 1522 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & | ^ note: ‘t48’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1633:25: 1633 | t159 = t42*gamma | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:74: 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & | ^ note: ‘t42’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1745:23: 1745 | t454 = t40*t51 | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:51: 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & | ^ note: ‘t40’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1632:22: 1632 | t157 = t4*rho | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:46: 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & | ^ note: ‘t4’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1643:26: 1643 | t182 = t4*t39*t30 | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1520:24: 1520 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & | ^ note: ‘t39’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1622:25: 1622 | t133 = t33*gamma | ^ Warning: ‘t33’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1518:70: 1518 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 | ^ note: ‘t33’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1646:32: 1646 | t189 = 0.1e1_dp/t50/t32 | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1518:53: 1518 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 | ^ note: ‘t32’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1743:23: 1743 | t450 = t31*t42 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1518:18: 1518 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 | ^ note: ‘t31’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1664:25: 1664 | t186*t191 | ^ Warning: ‘t30’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1517:97: 1517 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & | ^ note: ‘t30’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1630:22: 1630 | t153 = t4*t29 | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1517:64: 1517 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & | ^ note: ‘t29’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1682:21: 1682 | t272 = R*t23 | ^ Warning: ‘t23’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1516:29: 1516 | t22, t226, t229, t23, t232, t233, t234, t235, t237, t24, t242, t247, t249, t254, t256, & | ^ note: ‘t23’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1625:22: 1625 | t138 = t21**2 | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1515:93: 1515 | t178, t18, t182, t183, t186, t189, t190, t191, t194, t196, t197, t199, t2, t200, t21, & | ^ note: ‘t21’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1620:22: 1620 | t128 = t5*t17 | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1514:71: 1514 | t146, t153, t154, t157, t159, t16, t160, t163, t167, t168, t17, t171, t172, t175, t177, & | ^ note: ‘t17’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1816:66: 1816 | *t233*t623/0.24e2_dp)*sx | ^ Warning: ‘t123’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:43: 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & | ^ note: ‘t123’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1697:76: 1697 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx | ^ Warning: ‘t121’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:37: 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & | ^ note: ‘t121’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1697:76: 1697 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx | ^ Warning: ‘t119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:31: 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & | ^ note: ‘t119’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1697:76: 1697 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:25: 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & | ^ note: ‘t118’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1513:19: 1513 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & | ^ note: ‘t116’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1694:36: 1694 | - 0.4e1_dp*t299*t116 | ^ Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:96: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t113’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 | ^ Warning: ‘t111’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:90: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t111’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1785:38: 1785 | t566 = t3*t443*t140*t110*t103 | ^ Warning: ‘t110’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:84: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t110’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1694:36: 1694 | - 0.4e1_dp*t299*t116 | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:78: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t109’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1694:36: 1694 | - 0.4e1_dp*t299*t116 | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:72: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t108’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1805:37: 1805 | /0.3e1_dp*t626)*t106 | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:66: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t106’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1785:38: 1785 | t566 = t3*t443*t140*t110*t103 | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:54: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t103’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1814:57: 1814 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:48: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t102’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1771:25: 1771 | t525 = t143*t101 | ^ Warning: ‘t101’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:42: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t101’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1666:33: 1666 | t232 = 0.1e1_dp/t100/t99 | ^ Warning: ‘t100’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:36: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t100’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1678:86: 1678 | t256)*t95*t237 - t94*t97/t29 | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1512:30: 1512 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & | ^ note: ‘t10’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1328:43: 1328 | t231 = REAL(t85, KIND=dp)/t100/t99 | ^ Warning: ‘t99’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:51: 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 | ^ note: ‘t99’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1384:50: 1384 | t94*(-t317 - t340 + t358)*t95*t235 | ^ Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:46: 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 | ^ note: ‘t97’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1466:88: 1466 | - t587 + t600)*t95*t235 | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:36: 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 | ^ note: ‘t95’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1466:88: 1466 | - t587 + t600)*t95*t235 | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:31: 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 | ^ note: ‘t94’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1384:50: 1384 | t94*(-t317 - t340 + t358)*t95*t235 | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:26: 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 | ^ note: ‘t93’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1333:22: 1333 | t245 = t91**2 | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:21: 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 | ^ note: ‘t91’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1334:24: 1334 | t247 = t90/t245 | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:16: 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 | ^ note: ‘t90’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1283:23: 1283 | t135 = t134*t9 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1189:11: 1189 | t9, t90, t91, t93, t94, t95, t96, t97, t99 | ^ note: ‘t9’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1329:23: 1329 | t232 = t86*t89 | ^ Warning: ‘t89’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:97: 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & | ^ note: ‘t89’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1332:27: 1332 | t240 = t87*t88*t93 | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:92: 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & | ^ note: ‘t88’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1332:27: 1332 | t240 = t87*t88*t93 | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:87: 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & | ^ note: ‘t87’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1329:23: 1329 | t232 = t86*t89 | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:82: 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & | ^ note: ‘t86’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1339:33: 1339 | t263 = t84*t261/0.3e1_dp | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:72: 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & | ^ note: ‘t84’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1455:28: 1455 | t587 = t23*t585*t83 | ^ Warning: ‘t83’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:67: 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & | ^ note: ‘t83’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1322:29: 1322 | t221 = t66*t193*t219 | ^ Warning: ‘t66’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1188:26: 1188 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & | ^ note: ‘t66’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1394:35: 1394 | t414 = ndrho*t141*t65*t114 | ^ Warning: ‘t65’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1187:70: 1187 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 | ^ note: ‘t65’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1300:25: 1300 | t173 = t61*gamma | ^ Warning: ‘t61’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1187:18: 1187 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 | ^ note: ‘t61’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1451:35: 1451 | t574 = t3*t6*t572/0.9e1_dp | ^ Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1186:73: 1186 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & | ^ note: ‘t6’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1414:24: 1414 | t471 = t59*t185 | ^ Warning: ‘t59’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1186:63: 1186 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & | ^ note: ‘t59’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1295:25: 1295 | t163 = t51*gamma | ^ Warning: ‘t51’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1185:27: 1185 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & | ^ note: ‘t51’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1305:32: 1305 | t185 = 0.1e1_dp/t50/t32 | ^ Warning: ‘t50’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1185:22: 1185 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & | ^ note: ‘t50’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1359:22: 1359 | t312 = t5*t33 | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1185:17: 1185 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & | ^ note: ‘t5’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1412:23: 1412 | t467 = t49*t61 | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1184:64: 1184 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & | ^ note: ‘t49’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1304:22: 1304 | t182 = t4*t48 | ^ Warning: ‘t48’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1184:53: 1184 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & | ^ note: ‘t48’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1292:25: 1292 | t155 = t42*gamma | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1183:18: 1183 | t414, t42, t423, t426, t43, t434, t443, t450, t455, t456, t459, t46, t460, t463, t464, & | ^ note: ‘t42’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1410:23: 1410 | t463 = t40*t51 | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1182:73: 1182 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & | ^ note: ‘t40’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1291:22: 1291 | t153 = t4*rho | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1182:68: 1182 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & | ^ note: ‘t4’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1302:26: 1302 | t178 = t4*t39*t30 | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1182:34: 1182 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & | ^ note: ‘t39’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1282:25: 1282 | t134 = t33*gamma | ^ Warning: ‘t33’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1180:70: 1180 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 | ^ note: ‘t33’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1305:32: 1305 | t185 = 0.1e1_dp/t50/t32 | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1180:53: 1180 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 | ^ note: ‘t32’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1408:23: 1408 | t459 = t31*t42 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1180:18: 1180 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 | ^ note: ‘t31’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1321:25: 1321 | t182*t187 | ^ Warning: ‘t30’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1179:91: 1179 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & | ^ note: ‘t30’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1289:22: 1289 | t149 = t4*t29 | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1179:76: 1179 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & | ^ note: ‘t29’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1314:28: 1314 | t192 = t23*t190*t83 | ^ Warning: ‘t23’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1178:30: 1178 | t225, t227, t228, t23, t231, t232, t233, t235, t24, t240, t245, t247, t259, t261, t263, & | ^ note: ‘t23’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1285:22: 1285 | t139 = t21**2 | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1177:63: 1177 | t18, t182, t185, t186, t187, t190, t192, t193, t2, t21, t219, t22, t221, t223, t224, & | ^ note: ‘t21’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1280:22: 1280 | t129 = t5*t17 | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1176:65: 1176 | t153, t155, t156, t159, t16, t163, t164, t167, t168, t17, t171, t173, t174, t178, t179, & | ^ note: ‘t17’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1358:56: 1358 | - t124*t231*t259/0.24e2_dp)*sx | ^ Warning: ‘t124’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:31: 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & | ^ note: ‘t124’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1358:56: 1358 | - t124*t231*t259/0.24e2_dp)*sx | ^ Warning: ‘t123’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:25: 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & | ^ note: ‘t123’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: 1356 | /0.3e1_dp | ^ Warning: ‘t120’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:19: 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & | ^ note: ‘t120’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: 1356 | /0.3e1_dp | ^ Warning: ‘t119’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1175:13: 1175 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & | ^ note: ‘t119’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1473:70: 1473 | t655 = (-t574 - t587 + t600 - t605 - t606 + t609 + t632)*t117 | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:96: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t117’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1479:54: 1479 | *t114 - t301*t608 - t120*t630/0.3e1_dp | ^ Warning: ‘t114’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:90: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t114’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: 1356 | /0.3e1_dp | ^ Warning: ‘t110’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:84: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t110’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1460:47: 1460 | t605 = t3*t450*t141*t109*t103/0.9e1_dp | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:78: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t109’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1356:25: 1356 | /0.3e1_dp | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:72: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t108’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1469:69: 1469 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:66: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t106’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1460:47: 1460 | t605 = t3*t450*t141*t109*t103/0.9e1_dp | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:54: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t103’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1326:27: 1326 | t227 = t102*R*t219 | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:48: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t102’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1358:56: 1358 | - t124*t231*t259/0.24e2_dp)*sx | ^ Warning: ‘t101’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:42: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t101’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1328:43: 1328 | t231 = REAL(t85, KIND=dp)/t100/t99 | ^ Warning: ‘t100’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:36: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t100’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1337:86: 1337 | t221)*t95*t235 - t94*t97/t29 | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1174:30: 1174 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^ note: ‘t10’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:959:23: 959 | t204 = t203*t9 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:941:24: 941 | t160 = t85*t103 | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:952:25: 952 | t190 = t81*gamma | ^ Warning: ‘t81’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1026:24: 1026 | t399 = t79*t202 | ^ Warning: ‘t79’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:947:25: 947 | t180 = t71*gamma | ^ Warning: ‘t71’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:957:32: 957 | t202 = 0.1e1_dp/t70/t35 | ^ Warning: ‘t70’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1024:23: 1024 | t395 = t69*t81 | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:956:22: 956 | t199 = t3*t68 | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:932:25: 932 | t142 = t62*gamma | ^ Warning: ‘t62’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1022:23: 1022 | t391 = t60*t71 | ^ Warning: ‘t60’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1043:32: 1043 | t42*t43/0.4e1_dp | ^ Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1007:58: 1007 | *t313 - 0.80e2_dp/0.729e3_dp*t99*t195*t317 | ^ Warning: ‘t59’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1015:22: 1015 | t376 = t5*t36 | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:976:22: 976 | t245 = t49**2 | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:939:28: 939 | t158 = 0.1e1_dp/t47 | ^ Warning: ‘t47’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1018:31: 1018 | - t42*t43*gamma | ^ Warning: ‘t43’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:934:23: 934 | t154 = t42*t23 | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:929:28: 929 | t134 = 0.1e1_dp/t41 | ^ Warning: ‘t41’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:994:51: 994 | ndrho/0.9e1_dp + t154*t285/0.4e1_dp | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:944:25: 944 | t167 = t36*gamma | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:957:32: 957 | t202 = 0.1e1_dp/t70/t35 | ^ Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1020:23: 1020 | t387 = t34*t62 | ^ Warning: ‘t34’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:928:40: 928 | t131 = 0.1e1_dp/t4/t33*gamma*t9 | ^ Warning: ‘t33’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:930:22: 930 | t137 = t3*t32 | ^ Warning: ‘t32’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx | ^ Warning: ‘t3’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:938:53: 938 | t42*t23*t124*t16 - t154*t131/0.8e1_dp | ^ Warning: ‘t26’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1043:32: 1043 | t42*t43/0.4e1_dp | ^ Warning: ‘t25’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:977:29: 977 | t248 = t21*t106/t245 | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:974:21: 974 | *t204 | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:942:22: 942 | t162 = t4*t17 | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:938:53: 938 | t42*t23*t124*t16 - t154*t131/0.8e1_dp | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: 1058 | /0.2e1_dp))*sx | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: Warning: ‘t115’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: Warning: ‘t112’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: Warning: ‘t111’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx | ^ Warning: ‘t110’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:978:25: 978 | t249 = t109*t102 | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:979:29: 979 | t255 = t21*t106*t108 | ^ Warning: ‘t108’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx | ^ Warning: ‘t107’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1058:72: 1058 | /0.2e1_dp))*sx | ^ Warning: ‘t106’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:1052:53: 1052 | t487 = t459*t160 + t472*t103 - t86*t211*t484 | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:989:125: 989 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx | ^ Warning: ‘t97’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: Warning: ‘t96’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:719:27: 719 | t217 = t21*t91*t93 | ^ Warning: ‘t93’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx | ^ Warning: ‘t92’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:699:23: 699 | t166 = t165*t9 | ^ Warning: ‘t9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:792:24: 792 | t436 = t435*t88 | ^ Warning: ‘t88’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: Warning: ‘t71’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:731:24: 731 | t249 = t120*t70 | ^ Warning: ‘t70’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:692:25: 692 | t152 = t66*gamma | ^ Warning: ‘t66’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:768:24: 768 | t361 = t64*t164 | ^ Warning: ‘t64’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:687:25: 687 | t142 = t56*gamma | ^ Warning: ‘t56’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:697:32: 697 | t164 = 0.1e1_dp/t55/t37 | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:766:23: 766 | t357 = t54*t66 | ^ Warning: ‘t54’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:696:22: 696 | t161 = t3*t53 | ^ Warning: ‘t53’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:757:22: 757 | t340 = t5*t38 | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:684:25: 684 | t134 = t47*gamma | ^ Warning: ‘t47’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:764:23: 764 | t353 = t45*t56 | ^ Warning: ‘t45’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:745:58: 745 | *t267 - 0.80e2_dp/0.729e3_dp*t84*t157*t271 | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:730:22: 730 | t246 = t4*t38 | ^ Warning: ‘t4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx | ^ Warning: ‘t38’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:697:32: 697 | t164 = 0.1e1_dp/t55/t37 | ^ Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:762:23: 762 | t349 = t36*t47 | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:694:26: 694 | t157 = t3*t44*t35 | ^ Warning: ‘t35’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:756:46: 756 | /0.2e1_dp))*sx | ^ Warning: ‘t34’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:729:74: 729 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx | ^ Warning: ‘t3’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:716:22: 716 | t207 = t28**2 | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:678:22: 678 | t118 = t26**2 | ^ Warning: ‘t26’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:714:21: 714 | *t166 | ^ Warning: ‘t19’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:673:22: 673 | t108 = t4*t17 | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: 802 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx | ^ Warning: ‘t102’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: Warning: ‘t101’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F:802:105: Warning: ‘t100’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_xbecke_roussel.mod' due to: xc_xbecke_roussel.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke_roussel.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_thomas_fermi.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_thomas_fermi.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod cp_array_utils.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:43:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_thomas_fermi.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_thomas_fermi.mod' due to: xc_thomas_fermi.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_thomas_fermi.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod cp_array_utils.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_sr_lda.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_sr_lda.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod xc_input_constants.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_sr_lda.F xc_sr_lda.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:43:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_sr_lda.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_sr_lda.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_sr_lda.mod' due to: xc_sr_lda.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_sr_lda.F /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew_wang.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_functionals_utilities.mod xc_input_constants.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_xbr_pbe_lda_hole_t_c_lr.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_xlda_hole_t_c_lr.mod xc_xpbe_hole_t_c_lr.mod mathconstants.mod kinds.mod base_hooks.mod xc_xbecke_roussel.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:43:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbr_pbe_lda_hole_t_c_lr.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_xbr_pbe_lda_hole_t_c_lr.mod' due to: xc_xbr_pbe_lda_hole_t_c_lr.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_xlda_hole_t_c_lr.mod xc_xpbe_hole_t_c_lr.mod mathconstants.mod kinds.mod base_hooks.mod xc_xbecke_roussel.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_lyp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp.F xc_lyp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:43:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_lyp.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_lyp.mod' due to: xc_lyp.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_lyp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_perdew86.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew86.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_perdew_zunger.mod xc_functionals_utilities.mod xc_input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew86.F xc_perdew86.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:43:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_perdew86.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_perdew86.mod' due to: xc_perdew86.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_perdew86.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod xc_perdew_zunger.mod xc_functionals_utilities.mod xc_input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_xbecke88_long_range.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:43:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_xbecke88_long_range.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 | ^ Warning: ‘t98’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:72: 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 | ^ note: ‘t98’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1261:104: 1261 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:61: 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 | ^ note: ‘t95’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1313:70: 1313 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:56: 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 | ^ note: ‘t94’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1276:72: 1276 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:45: 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 | ^ note: ‘t91’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1202:30: 1202 | t226 = t225*t90 | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:40: 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 | ^ note: ‘t90’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1273:55: 1273 | t87 + 0.8000000000e1_dp*t393*t397 | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:29: 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 | ^ note: ‘t87’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1328:66: 1328 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1057:12: 1057 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 | ^ note: ‘t86’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1375:39: 1375 | t669 = 0.1e1_dp/t85/t667 | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:89: 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & | ^ note: ‘t85’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1374:28: 1374 | t667 = t84**2 | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:72: 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & | ^ note: ‘t84’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1159:28: 1159 | t140 = t8*rho | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:61: 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & | ^ note: ‘t8’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1393:67: 1393 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 | ^ Warning: ‘t79’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:45: 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & | ^ note: ‘t79’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1215:30: 1215 | t255 = t77*t254 | ^ Warning: ‘t77’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:40: 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & | ^ note: ‘t77’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t76’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:29: 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & | ^ note: ‘t76’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1370:28: 1370 | t639 = t75**2 | ^ Warning: ‘t75’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1056:24: 1056 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & | ^ note: ‘t75’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1276:72: 1276 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 | ^ Warning: ‘t72’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:84: 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & | ^ note: ‘t72’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t71’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:73: 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & | ^ note: ‘t71’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1120:27: 1120 | t69 = t7*rho | ^ Warning: ‘t7’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:68: 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & | ^ note: ‘t7’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1382:63: 1382 | /t69*t669) | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:64: 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & | ^ note: ‘t69’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:53: 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & | ^ note: ‘t68’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: 1553 | t98*t1400 | ^ Warning: ‘t64’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1055:12: 1055 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & | ^ note: ‘t64’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1172:84: 1172 | 0.2222222224e0_dp*t24*t98*t155)*sx | ^ Warning: ‘t60’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:45: 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ note: ‘t60’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) | ^ Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:40: 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ note: ‘t6’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1498:31: 1498 | t1153 = t27*t590 | ^ Warning: ‘t590’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:36: 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ note: ‘t590’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t59’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:30: 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ note: ‘t59’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t586’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:25: 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ note: ‘t586’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t580’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:19: 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ note: ‘t580’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t576’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1054:13: 1054 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ note: ‘t576’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t575’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:96: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t575’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t574’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:90: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t574’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t573’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:84: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t573’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t572’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:78: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t572’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t571’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:72: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t571’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t570’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:66: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t570’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t566’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:60: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t566’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t562’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:54: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t562’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1169:26: 1169 | t151 | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:48: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t55’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t539’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:43: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t539’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t537’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:37: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t537’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t536’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:31: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t536’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: 1553 | t98*t1400 | ^ Warning: ‘t530’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1053:13: 1053 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & | ^ note: ‘t530’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1586:49: 1586 | *sx | ^ Warning: ‘t529’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:93: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t529’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t526’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:87: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t526’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t525’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:81: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t525’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t521’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:75: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t521’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1184:59: 1184 | *t52 - 0.5000000001e0_dp*t41*t172*t46 | ^ Warning: ‘t52’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:69: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t52’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1367:38: 1367 | t624 = 0.1e1_dp/t8/t519 | ^ Warning: ‘t519’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:64: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t519’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t514’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:58: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t514’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) | ^ Warning: ‘t513’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:52: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t513’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1244:33: 1244 | t339 = t48*t10*t51 | ^ Warning: ‘t51’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:46: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t51’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t508’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:41: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t508’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: 1553 | t98*t1400 | ^ Warning: ‘t505’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:35: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t505’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: 1553 | t98*t1400 | ^ Warning: ‘t502’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:29: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t502’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1586:49: 1586 | *sx | ^ Warning: ‘t501’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:23: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t501’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1382:63: 1382 | /t69*t669) | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:17: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t5’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1431:30: 1431 | t857 = t27*t496 | ^ Warning: ‘t496’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1052:13: 1052 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^ note: ‘t496’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1485:76: 1485 | + t1136) | ^ Warning: ‘t492’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:96: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t492’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:90: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t49’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t489’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:85: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t489’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t486’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:79: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t486’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t482’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:73: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t482’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t479’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:62: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t479’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 | ^ Warning: ‘t478’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:56: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t478’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t473’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:50: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t473’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 | ^ Warning: ‘t470’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:44: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t470’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: 1406 | REAL(t46, KIND=dp) | ^ Warning: ‘t47’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:38: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t47’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t467’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:33: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t467’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t466’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1051:27: 1051 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & | ^ note: ‘t466’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t465’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:71: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t465’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t464’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:65: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t464’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t463’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:59: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t463’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t462’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:53: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t462’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t460’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:47: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t460’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1184:59: 1184 | *t52 - 0.5000000001e0_dp*t41*t172*t46 | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:41: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t46’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t457’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:36: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t457’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t455’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:30: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t455’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1514:57: 1514 | + 0.5999999999e1_dp*t128*t132*t529 | ^ Warning: ‘t452’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:24: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t452’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t451’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:18: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t451’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1139:49: 1139 | t103 = EXP(-0.9000000000e1_dp*t44) | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1050:12: 1050 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 | ^ note: ‘t44’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t435’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:94: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t435’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1153:34: 1153 | t130 = t128*t43*t94 | ^ Warning: ‘t43’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:88: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t43’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t429’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:83: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t429’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t428’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:77: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t428’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1155:30: 1155 | t133 = t42*t132 | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:71: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t42’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t418’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:66: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t418’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t417’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:60: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t417’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t413’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:54: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t413’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1304:30: 1304 | t489 = t41*t135 | ^ Warning: ‘t41’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:42: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t41’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t408’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:37: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t408’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t405’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:31: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t405’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: 1553 | t98*t1400 | ^ Warning: ‘t404’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:25: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t404’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) | ^ Warning: ‘t401’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:19: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t401’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) | ^ Warning: ‘t400’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1049:13: 1049 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: ‘t400’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1152:30: 1152 | t128 = t40*t127 | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:92: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t40’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) | ^ Warning: ‘t397’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:87: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t397’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t393’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:81: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t393’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1158:29: 1158 | t137 = t39*t94 | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:75: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t39’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) | ^ Warning: ‘t384’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:70: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t384’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) | ^ Warning: ‘t383’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:64: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t383’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t382’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:58: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t382’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1257:68: 1257 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 | ^ Warning: ‘t38’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:52: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t38’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) | ^ Warning: ‘t377’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:47: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t377’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t372’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:41: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t372’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1286:30: 1286 | t435 = t37*t196 | ^ Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:35: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t37’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: 1553 | t98*t1400 | ^ Warning: ‘t368’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:30: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t368’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: 1553 | t98*t1400 | ^ Warning: ‘t365’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:24: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t365’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: 1553 | t98*t1400 | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:18: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t36’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1363:30: 1363 | t601 = t27*t358 | ^ Warning: ‘t358’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1048:13: 1048 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^ note: ‘t358’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: 1421 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t354’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:96: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t354’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t351’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:90: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t351’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t347’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:84: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t347’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: 1406 | REAL(t46, KIND=dp) | ^ Warning: ‘t346’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:78: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t346’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t343’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:72: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t343’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t339’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:61: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t339’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 | ^ Warning: ‘t335’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:55: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t335’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: 1406 | REAL(t46, KIND=dp) | ^ Warning: ‘t330’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:49: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t330’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t328’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:43: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t328’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t326’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:37: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t326’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: 1421 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t325’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:31: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t325’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1463:38: 1463 | *t128*t323*t172 | ^ Warning: ‘t323’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:25: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t323’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: 1421 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t321’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:19: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t321’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: 1421 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t319’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1047:13: 1047 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^ note: ‘t319’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: 1421 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:97: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t316’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t313’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:91: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t313’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1528:63: 1528 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t312’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:85: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t312’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1226:31: 1226 | *t30*t281 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:73: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t31’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1485:76: 1485 | + t1136) | ^ Warning: ‘t304’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:68: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t304’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1144:26: 1144 | t109 | ^ Warning: ‘t30’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:62: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t30’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1229:28: 1229 | t293 = t3*t55 | ^ Warning: ‘t3’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:57: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t3’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t297’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:53: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t297’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t293’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:47: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t293’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1194:35: 1194 | t211 = rho*t29*omega | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:41: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t29’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t289’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:36: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t289’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t285’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:30: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t285’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1421:54: 1421 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t284’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:24: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t284’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t281’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:18: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t281’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1141:30: 1141 | t105 = t28*t104 | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1046:12: 1046 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & | ^ note: ‘t28’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t271’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:95: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t271’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t270’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:89: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t270’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t265’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:78: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t265’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t264’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:72: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t264’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 | ^ Warning: ‘t259’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:61: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t259’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t258’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:55: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t258’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t255’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:49: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t255’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t254’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:43: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t254’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t251’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:37: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t251’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t250’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:31: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t250’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) | ^ Warning: ‘t245’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:25: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t245’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t244’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:19: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t244’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t241’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1045:13: 1045 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^ note: ‘t241’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 | ^ Warning: ‘t24’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:96: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t24’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t237’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:91: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t237’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t233’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:85: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t233’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t232’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:79: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t232’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t230’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:67: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t230’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1140:34: 1140 | t104 = 0.1e1_dp/t23 | ^ Warning: ‘t23’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:61: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t23’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t226’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:56: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t226’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1509:77: 1509 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) | ^ Warning: ‘t225’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:50: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t225’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1442:55: 1442 | *t244*ndrho/t657/t7*t669) | ^ Warning: ‘t222’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:44: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t222’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1368:30: 1368 | t628 = t221*t76 | ^ Warning: ‘t221’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:38: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t221’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1119:34: 1119 | t68 = rho*t22*omega | ^ Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:32: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t22’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1382:63: 1382 | /t69*t669) | ^ Warning: ‘t219’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1044:27: 1044 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: ‘t219’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 | ^ Warning: ‘t216’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:70: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t216’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1427:67: 1427 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 | ^ Warning: ‘t213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:64: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t213’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t212’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:58: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t212’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1494:76: 1494 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t211’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:52: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t211’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1232:30: 1232 | t311 = t126*t21 | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:46: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t21’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: 1553 | t98*t1400 | ^ Warning: ‘t207’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:41: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t207’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1263:30: 1263 | t365 = t27*t200 | ^ Warning: ‘t200’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:35: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t200’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1346:29: 1346 | t576 = t2*t501 | ^ Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:29: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t2’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1313:70: 1313 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 | ^ Warning: ‘t196’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:25: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t196’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t190’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:19: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t190’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t186’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1043:13: 1043 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ note: ‘t186’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t185’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:96: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t185’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1176:59: 1176 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:90: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t18’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t177’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:85: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t177’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1318:79: 1318 | *t24*t98*t496)*sx | ^ Warning: ‘t173’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:73: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t173’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1355:35: 1355 | *t36*t38*t586 | ^ Warning: ‘t172’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:67: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t172’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1122:28: 1122 | t72 = t71*t17 | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:61: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t17’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1331:41: 1331 | - 0.20e1_dp*t6*t526 | ^ Warning: ‘t169’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:56: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t169’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1266:31: 1266 | t377 = t225*t168 | ^ Warning: ‘t168’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:50: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t168’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1203:38: 1203 | t230 = 0.1e1_dp/t75/t16 | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:44: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t16’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1193:30: 1193 | t207 = t27*t155 | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:32: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t155’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1257:68: 1257 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 | ^ Warning: ‘t151’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:26: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t151’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1308:82: 1308 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 | ^ Warning: ‘t148’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1042:20: 1042 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & | ^ note: ‘t148’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t147’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:93: 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & | ^ note: ‘t147’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1477:36: 1477 | t41*t328*t466 | ^ Warning: ‘t146’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:80: 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & | ^ note: ‘t146’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1308:82: 1308 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 | ^ Warning: ‘t143’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:60: 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & | ^ note: ‘t143’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1245:35: 1245 | t343 = t141*t135*t46 | ^ Warning: ‘t141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:47: 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & | ^ note: ‘t141’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1580:74: 1580 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t140’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1041:20: 1041 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & | ^ note: ‘t140’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1406:40: 1406 | REAL(t46, KIND=dp) | ^ Warning: ‘t137’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:89: 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ note: ‘t137’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1470:68: 1470 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 | ^ Warning: ‘t136’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:83: 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ note: ‘t136’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1304:30: 1304 | t489 = t41*t135 | ^ Warning: ‘t135’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:77: 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ note: ‘t135’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1219:69: 1219 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:50: 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ note: ‘t133’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1514:57: 1514 | + 0.5999999999e1_dp*t128*t132*t529 | ^ Warning: ‘t132’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:44: 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ note: ‘t132’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1219:69: 1219 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 | ^ Warning: ‘t130’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:38: 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ note: ‘t130’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1237:35: 1237 | t321 = t128*t43*t258 | ^ Warning: ‘t128’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:25: 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ note: ‘t128’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1299:30: 1299 | t473 = t94*t127 | ^ Warning: ‘t127’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:19: 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ note: ‘t127’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1232:30: 1232 | t311 = t126*t21 | ^ Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1040:13: 1040 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & | ^ note: ‘t126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1313:70: 1313 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 | ^ Warning: ‘t122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:85: 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & | ^ note: ‘t122’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1174:67: 1174 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:79: 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & | ^ note: ‘t12’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1257:68: 1257 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:74: 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & | ^ note: ‘t118’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:61: 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & | ^ note: ‘t117’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1553:32: 1553 | t98*t1400 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1039:41: 1039 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & | ^ note: ‘t116’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1544:37: 1544 | *t36*t38*t1396 | ^ Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:89: 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & | ^ note: ‘t113’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1456:57: 1456 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t112’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:83: 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & | ^ note: ‘t112’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1562:99: 1562 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:70: 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & | ^ note: ‘t11’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1284:66: 1284 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172 | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:58: 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & | ^ note: ‘t109’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1355:35: 1355 | *t36*t38*t586 | ^ Warning: ‘t105’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:45: 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & | ^ note: ‘t105’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1364:36: 1364 | t605 = rho*t104*omega | ^ Warning: ‘t104’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:32: 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & | ^ note: ‘t104’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1355:35: 1355 | *t36*t38*t586 | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1038:26: 1038 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & | ^ note: ‘t103’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1174:67: 1174 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1037:77: 1037 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & | ^ note: ‘t10’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1186:69: 1186 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 | ^ Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:1037:72: 1037 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & | ^ note: ‘t1’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 | ^ Warning: ‘t98’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:287:26: 287 | REAL(kind=dp) :: t98, t99, xx | ^ note: ‘t98’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:492:94: 492 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx | ^ Warning: ‘t95’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:67: 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 | ^ note: ‘t95’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:544:70: 544 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 | ^ Warning: ‘t94’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:62: 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 | ^ note: ‘t94’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:507:72: 507 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 | ^ Warning: ‘t91’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:51: 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 | ^ note: ‘t91’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:433:30: 433 | t226 = t225*t90 | ^ Warning: ‘t90’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:46: 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 | ^ note: ‘t90’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:504:55: 504 | t87 + 0.8000000000e1_dp*t393*t397 | ^ Warning: ‘t87’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:35: 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 | ^ note: ‘t87’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:559:66: 559 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 | ^ Warning: ‘t86’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:286:18: 286 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 | ^ note: ‘t86’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:606:39: 606 | t669 = 0.1e1_dp/t85/t667 | ^ Warning: ‘t85’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:95: 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & | ^ note: ‘t85’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:605:28: 605 | t667 = t84**2 | ^ Warning: ‘t84’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:78: 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & | ^ note: ‘t84’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:390:31: 390 | t140 = t8*my_rho | ^ Warning: ‘t8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:67: 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & | ^ note: ‘t8’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:624:67: 624 | *t128*t43*t677 - 0.2666666667e1_dp*t42*pi*t79 | ^ Warning: ‘t79’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:51: 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & | ^ note: ‘t79’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:446:30: 446 | t255 = t77*t254 | ^ Warning: ‘t77’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:46: 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & | ^ note: ‘t77’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t76’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:35: 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & | ^ note: ‘t76’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:601:28: 601 | t639 = t75**2 | ^ Warning: ‘t75’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:285:30: 285 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & | ^ note: ‘t75’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:507:72: 507 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 | ^ Warning: ‘t72’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:90: 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & | ^ note: ‘t72’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t71’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:79: 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & | ^ note: ‘t71’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:351:30: 351 | t69 = t7*my_rho | ^ Warning: ‘t7’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:74: 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & | ^ note: ‘t7’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:613:63: 613 | /t69*t669) | ^ Warning: ‘t69’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:70: 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & | ^ note: ‘t69’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t68’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:59: 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & | ^ note: ‘t68’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: 784 | t98*t1400 | ^ Warning: ‘t64’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:284:18: 284 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & | ^ note: ‘t64’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:403:74: 403 | 0.2222222224e0_dp*t24*t98*t155)*sx | ^ Warning: ‘t60’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:51: 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & | ^ note: ‘t60’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) | ^ Warning: ‘t6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:46: 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & | ^ note: ‘t6’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:729:31: 729 | t1153 = t27*t590 | ^ Warning: ‘t590’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:42: 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & | ^ note: ‘t590’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t59’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:36: 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & | ^ note: ‘t59’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t586’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:31: 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & | ^ note: ‘t586’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t580’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:25: 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & | ^ note: ‘t580’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t576’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:19: 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & | ^ note: ‘t576’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t575’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:283:13: 283 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & | ^ note: ‘t575’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t574’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:96: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t574’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t573’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:90: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t573’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t572’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:84: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t572’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t571’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:78: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t571’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t570’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:72: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t570’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t566’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:66: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t566’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t562’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:60: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t562’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:400:26: 400 | t151 | ^ Warning: ‘t55’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:54: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t55’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t539’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:49: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t539’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t537’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:43: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t537’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t536’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:37: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t536’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: 784 | t98*t1400 | ^ Warning: ‘t530’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:19: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t530’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:817:44: 817 | *sx | ^ Warning: ‘t529’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:282:13: 282 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & | ^ note: ‘t529’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t526’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:93: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t526’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t525’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:87: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t525’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t521’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:81: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t521’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:415:59: 415 | *t52 - 0.5000000001e0_dp*t41*t172*t46 | ^ Warning: ‘t52’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:75: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t52’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:598:38: 598 | t624 = 0.1e1_dp/t8/t519 | ^ Warning: ‘t519’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:70: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t519’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t514’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:64: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t514’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) | ^ Warning: ‘t513’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:58: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t513’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:475:33: 475 | t339 = t48*t10*t51 | ^ Warning: ‘t51’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:52: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t51’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t508’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:47: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t508’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: 784 | t98*t1400 | ^ Warning: ‘t505’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:41: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t505’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: 784 | t98*t1400 | ^ Warning: ‘t502’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:35: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t502’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:817:44: 817 | *sx | ^ Warning: ‘t501’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:29: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t501’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:613:63: 613 | /t69*t669) | ^ Warning: ‘t5’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:23: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t5’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:662:30: 662 | t857 = t27*t496 | ^ Warning: ‘t496’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:19: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t496’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:716:76: 716 | + t1136) | ^ Warning: ‘t492’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:281:13: 281 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & | ^ note: ‘t492’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t49’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:96: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t49’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t489’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:91: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t489’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t486’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:85: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t486’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t482’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:79: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t482’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t479’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:68: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t479’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 | ^ Warning: ‘t478’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:62: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t478’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t473’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:56: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t473’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 | ^ Warning: ‘t470’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:50: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t470’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: 637 | REAL(t46, KIND=dp) | ^ Warning: ‘t47’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:44: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t47’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t467’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:39: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t467’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t466’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:33: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t466’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t465’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:280:27: 280 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & | ^ note: ‘t465’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t464’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:71: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t464’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t463’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:65: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t463’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t462’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:59: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t462’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t460’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:53: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t460’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:415:59: 415 | *t52 - 0.5000000001e0_dp*t41*t172*t46 | ^ Warning: ‘t46’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:47: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t46’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t457’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:42: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t457’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t455’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:36: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t455’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:745:57: 745 | + 0.5999999999e1_dp*t128*t132*t529 | ^ Warning: ‘t452’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:30: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t452’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t451’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:24: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t451’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:370:49: 370 | t103 = EXP(-0.9000000000e1_dp*t44) | ^ Warning: ‘t44’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:18: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t44’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t435’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:279:13: 279 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 | ^ note: ‘t435’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:384:34: 384 | t130 = t128*t43*t94 | ^ Warning: ‘t43’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:93: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t43’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t429’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:88: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t429’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t428’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:82: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t428’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:386:30: 386 | t133 = t42*t132 | ^ Warning: ‘t42’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:76: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t42’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t418’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:71: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t418’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t417’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:65: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t417’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t413’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:59: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t413’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:535:30: 535 | t489 = t41*t135 | ^ Warning: ‘t41’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:47: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t41’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t408’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:42: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t408’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t405’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:36: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t405’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: 784 | t98*t1400 | ^ Warning: ‘t404’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:30: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t404’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) | ^ Warning: ‘t401’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:24: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t401’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) | ^ Warning: ‘t400’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:18: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t400’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:383:30: 383 | t128 = t40*t127 | ^ Warning: ‘t40’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:278:12: 278 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & | ^ note: ‘t40’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) | ^ Warning: ‘t397’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:93: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t397’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t393’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:87: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t393’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:389:29: 389 | t137 = t39*t94 | ^ Warning: ‘t39’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:81: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t39’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) | ^ Warning: ‘t384’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:76: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t384’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) | ^ Warning: ‘t383’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:70: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t383’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t382’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:64: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t382’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:488:68: 488 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 | ^ Warning: ‘t38’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:58: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t38’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) | ^ Warning: ‘t377’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:53: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t377’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t372’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:47: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t372’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:517:30: 517 | t435 = t37*t196 | ^ Warning: ‘t37’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:41: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t37’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: 784 | t98*t1400 | ^ Warning: ‘t368’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:36: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t368’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: 784 | t98*t1400 | ^ Warning: ‘t365’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:30: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t365’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: 784 | t98*t1400 | ^ Warning: ‘t36’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:24: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t36’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:594:30: 594 | t601 = t27*t358 | ^ Warning: ‘t358’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:19: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t358’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: 652 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t354’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:277:13: 277 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & | ^ note: ‘t354’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t351’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:96: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t351’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t347’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:90: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t347’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: 637 | REAL(t46, KIND=dp) | ^ Warning: ‘t346’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:84: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t346’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t343’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:78: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t343’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t339’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:67: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t339’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 | ^ Warning: ‘t335’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:61: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t335’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: 637 | REAL(t46, KIND=dp) | ^ Warning: ‘t330’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:55: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t330’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t328’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:49: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t328’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t326’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:43: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t326’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: 652 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t325’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:37: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t325’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:694:38: 694 | *t128*t323*t172 | ^ Warning: ‘t323’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:31: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t323’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: 652 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t321’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:25: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t321’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: 652 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t319’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:19: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t319’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: 652 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t316’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:276:13: 276 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & | ^ note: ‘t316’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t313’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:97: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t313’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:759:63: 759 | t462*t466 - 0.5000000001e0_dp*t489*t1345 | ^ Warning: ‘t312’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:91: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t312’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:457:31: 457 | *t30*t281 | ^ Warning: ‘t31’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:79: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t31’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:716:76: 716 | + t1136) | ^ Warning: ‘t304’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:74: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t304’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:375:26: 375 | t109 | ^ Warning: ‘t30’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:68: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t30’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:460:28: 460 | t293 = t3*t55 | ^ Warning: ‘t3’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:63: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t3’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t297’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:59: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t297’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t293’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:53: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t293’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:425:38: 425 | t211 = my_rho*t29*omega | ^ Warning: ‘t29’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:47: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t29’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t289’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:42: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t289’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t285’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:36: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t285’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:652:54: 652 | + 0.3333333334e0_dp*t36*t38*t838 | ^ Warning: ‘t284’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:30: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t284’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t281’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:24: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t281’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:372:30: 372 | t105 = t28*t104 | ^ Warning: ‘t28’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:18: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t28’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t271’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:275:13: 275 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & | ^ note: ‘t271’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t270’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:94: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t270’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t265’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:83: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t265’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t264’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:77: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t264’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 | ^ Warning: ‘t259’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:66: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t259’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t258’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:60: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t258’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t255’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:54: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t255’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t254’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:48: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t254’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t251’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:42: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t251’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t250’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:36: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t250’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) | ^ Warning: ‘t245’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:30: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t245’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t244’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:24: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t244’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t241’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:18: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t241’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 | ^ Warning: ‘t24’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:274:12: 274 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & | ^ note: ‘t24’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t237’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:97: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t237’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t233’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:91: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t233’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t232’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:85: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t232’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t230’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:73: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t230’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:371:34: 371 | t104 = 0.1e1_dp/t23 | ^ Warning: ‘t23’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:67: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t23’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t226’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:62: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t226’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:740:80: 740 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) | ^ Warning: ‘t225’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:56: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t225’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:673:58: 673 | *t244*my_ndrho/t657/t7*t669) | ^ Warning: ‘t222’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:50: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t222’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:599:30: 599 | t628 = t221*t76 | ^ Warning: ‘t221’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:44: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t221’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:350:37: 350 | t68 = my_rho*t22*omega | ^ Warning: ‘t22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:38: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t22’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:613:63: 613 | /t69*t669) | ^ Warning: ‘t219’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:33: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t219’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 | ^ Warning: ‘t216’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:273:27: 273 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & | ^ note: ‘t216’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:658:67: 658 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 | ^ Warning: ‘t213’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:70: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t213’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t212’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:64: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t212’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:725:76: 725 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) | ^ Warning: ‘t211’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:58: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t211’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:463:30: 463 | t311 = t126*t21 | ^ Warning: ‘t21’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:52: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t21’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: 784 | t98*t1400 | ^ Warning: ‘t207’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:47: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t207’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:494:30: 494 | t365 = t27*t200 | ^ Warning: ‘t200’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:41: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t200’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:577:29: 577 | t576 = t2*t501 | ^ Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:35: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t2’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:544:70: 544 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 | ^ Warning: ‘t196’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:31: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t196’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t190’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:25: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t190’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t186’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:19: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t186’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t185’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:272:13: 272 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ note: ‘t185’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:407:59: 407 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 | ^ Warning: ‘t18’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:96: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t18’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t177’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:91: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t177’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:549:69: 549 | *t24*t98*t496)*sx | ^ Warning: ‘t173’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:79: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t173’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:586:35: 586 | *t36*t38*t586 | ^ Warning: ‘t172’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:73: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t172’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:353:28: 353 | t72 = t71*t17 | ^ Warning: ‘t17’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:67: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t17’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:562:41: 562 | - 0.20e1_dp*t6*t526 | ^ Warning: ‘t169’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:62: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t169’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:497:31: 497 | t377 = t225*t168 | ^ Warning: ‘t168’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:56: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t168’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:434:38: 434 | t230 = 0.1e1_dp/t75/t16 | ^ Warning: ‘t16’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:50: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t16’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:424:30: 424 | t207 = t27*t155 | ^ Warning: ‘t155’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:38: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t155’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:488:68: 488 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 | ^ Warning: ‘t151’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:32: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t151’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:539:82: 539 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 | ^ Warning: ‘t148’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:26: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t148’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t147’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:271:13: 271 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^ note: ‘t147’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:708:36: 708 | t41*t328*t466 | ^ Warning: ‘t146’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:87: 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & | ^ note: ‘t146’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:539:82: 539 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 | ^ Warning: ‘t143’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:67: 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & | ^ note: ‘t143’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:476:35: 476 | t343 = t141*t135*t46 | ^ Warning: ‘t141’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:54: 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & | ^ note: ‘t141’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:811:74: 811 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: ‘t140’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:270:27: 270 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & | ^ note: ‘t140’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:637:40: 637 | REAL(t46, KIND=dp) | ^ Warning: ‘t137’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:96: 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & | ^ note: ‘t137’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:701:68: 701 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 | ^ Warning: ‘t136’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:90: 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & | ^ note: ‘t136’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:535:30: 535 | t489 = t41*t135 | ^ Warning: ‘t135’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:84: 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & | ^ note: ‘t135’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:450:69: 450 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 | ^ Warning: ‘t133’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:57: 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & | ^ note: ‘t133’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:745:57: 745 | + 0.5999999999e1_dp*t128*t132*t529 | ^ Warning: ‘t132’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:51: 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & | ^ note: ‘t132’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:450:69: 450 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 | ^ Warning: ‘t130’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:45: 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & | ^ note: ‘t130’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:468:35: 468 | t321 = t128*t43*t258 | ^ Warning: ‘t128’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:32: 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & | ^ note: ‘t128’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:530:30: 530 | t473 = t94*t127 | ^ Warning: ‘t127’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:26: 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & | ^ note: ‘t127’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:463:30: 463 | t311 = t126*t21 | ^ Warning: ‘t126’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:269:20: 269 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & | ^ note: ‘t126’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:544:70: 544 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 | ^ Warning: ‘t122’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:92: 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & | ^ note: ‘t122’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:405:67: 405 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 | ^ Warning: ‘t12’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:86: 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & | ^ note: ‘t12’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:488:68: 488 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 | ^ Warning: ‘t118’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:81: 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & | ^ note: ‘t118’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t117’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:68: 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & | ^ note: ‘t117’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:784:32: 784 | t98*t1400 | ^ Warning: ‘t116’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:268:48: 268 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & | ^ note: ‘t116’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:775:37: 775 | *t36*t38*t1396 | ^ Warning: ‘t113’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:96: 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & | ^ note: ‘t113’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:687:57: 687 | - 0.1111111111e0_dp*t117*t293*t404 | ^ Warning: ‘t112’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:90: 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & | ^ note: ‘t112’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:793:102: 793 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) | ^ Warning: ‘t11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:77: 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & | ^ note: ‘t11’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:515:66: 515 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172 | ^ Warning: ‘t109’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:65: 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & | ^ note: ‘t109’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:586:35: 586 | *t36*t38*t586 | ^ Warning: ‘t105’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:52: 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & | ^ note: ‘t105’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:595:39: 595 | t605 = my_rho*t104*omega | ^ Warning: ‘t104’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:39: 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & | ^ note: ‘t104’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:586:35: 586 | *t36*t38*t586 | ^ Warning: ‘t103’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:267:33: 267 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & | ^ note: ‘t103’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:405:67: 405 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 | ^ Warning: ‘t10’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:266:83: 266 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & | ^ note: ‘t10’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:417:69: 417 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 | ^ Warning: ‘t1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F:266:78: 266 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & | ^ note: ‘t1’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_xbecke88_long_range.mod' due to: xc_xbecke88_long_range.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_xbecke88_long_range.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod xc_derivative_types.mod xc_rho_set_types.mod cp_array_utils.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_derivatives.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivatives.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_xlda_hole_t_c_lr.mod xc_hcth.mod xc_ke_gga.mod xc_xpbe_hole_t_c_lr.mod base_hooks.mod xc_optx.mod xc_xbecke88.mod xc_xwpbe.mod xc_pbe.mod xc_xalpha.mod xc_perdew_wang.mod kinds.mod xc_tfw.mod xc_lyp_adiabatic.mod xc_b97.mod xc_exchange_gga.mod xc_libxc.mod xc_vwn.mod xc_perdew_zunger.mod xc_cs1.mod xc_xbecke88_lr_adiabatic.mod xc_xbeef.mod xc_pade.mod xc_tpss.mod xc_xbecke_roussel.mod xc_thomas_fermi.mod xc_sr_lda.mod xc_xbr_pbe_lda_hole_t_c_lr.mod xc_lyp.mod xc_perdew86.mod xc_xbecke88_long_range.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivatives.F xc_derivatives.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:44:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_derivatives.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_derivatives.mod' due to: xc_derivatives.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_derivatives.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_xlda_hole_t_c_lr.mod xc_hcth.mod xc_ke_gga.mod xc_xpbe_hole_t_c_lr.mod base_hooks.mod xc_optx.mod xc_xbecke88.mod xc_xwpbe.mod xc_pbe.mod xc_xalpha.mod xc_perdew_wang.mod kinds.mod xc_tfw.mod xc_lyp_adiabatic.mod xc_b97.mod xc_exchange_gga.mod xc_libxc.mod xc_vwn.mod xc_perdew_zunger.mod xc_cs1.mod xc_xbecke88_lr_adiabatic.mod xc_xbeef.mod xc_pade.mod xc_tpss.mod xc_xbecke_roussel.mod xc_thomas_fermi.mod xc_sr_lda.mod xc_xbr_pbe_lda_hole_t_c_lr.mod xc_lyp.mod xc_perdew86.mod xc_xbecke88_long_range.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_output.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_output.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod input_cp2k_check.mod mathconstants.mod atom_utils.mod kinds.mod base_hooks.mod cp_files.mod xc_derivatives.mod periodic_table.mod xc_libxc.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_output.F atom_output.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:44:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_output.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_output.mod' due to: atom_output.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_output.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod input_cp2k_check.mod mathconstants.mod atom_utils.mod kinds.mod base_hooks.mod cp_files.mod xc_derivatives.mod periodic_table.mod xc_libxc.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod xc_derivative_types.mod pw_grid_types.mod pw_pool_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_input_constants.mod base_hooks.mod pw_methods.mod message_passing.mod cp_array_utils.mod kinds.mod xc_derivatives.mod cp_log_handling.mod pw_spline_utils.mod cp_linked_list_xc_deriv.mod kahan_sum.mod xc_derivative_desc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc.F xc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:44:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc.F:1558:22: 1558 | IF (dealloc_pw_to_deriv) THEN | ^ Warning: ‘dealloc_pw_to_deriv’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc.mod' due to: xc.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod xc_derivative_types.mod pw_grid_types.mod pw_pool_types.mod input_section_types.mod xc_derivative_set_types.mod xc_rho_set_types.mod xc_input_constants.mod base_hooks.mod pw_methods.mod message_passing.mod cp_array_utils.mod kinds.mod xc_derivatives.mod cp_log_handling.mod pw_spline_utils.mod cp_linked_list_xc_deriv.mod kahan_sum.mod xc_derivative_desc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_atom.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_atom.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod pw_types.mod xc_derivative_types.mod pw_pool_types.mod xc_rho_set_types.mod xc.mod cp_linked_list_xc_deriv.mod kinds.mod base_hooks.mod xc_derivatives.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_atom.F xc_atom.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:44:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/xc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_atom.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_atom.mod' due to: xc_atom.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc/xc_atom.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod pw_types.mod xc_derivative_types.mod pw_pool_types.mod xc_rho_set_types.mod xc.mod cp_linked_list_xc_deriv.mod kinds.mod base_hooks.mod xc_derivatives.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_xc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_xc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod atom_types.mod xc_derivative_types.mod xc_rho_set_types.mod input_constants.mod mathconstants.mod atom_utils.mod kinds.mod base_hooks.mod xc_atom.mod cp_files.mod xc_derivatives.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_xc.F atom_xc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:44:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_xc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_xc.mod' due to: atom_xc.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_xc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod xc_derivative_set_types.mod xc_rho_cflags_types.mod atom_types.mod xc_derivative_types.mod xc_rho_set_types.mod input_constants.mod mathconstants.mod atom_utils.mod kinds.mod base_hooks.mod xc_atom.mod cp_files.mod xc_derivatives.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_optimization.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_optimization.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atom_types.mod base_hooks.mod kinds.mod lapack.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_optimization.F atom_optimization.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:44:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_optimization.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_optimization.mod' due to: atom_optimization.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_optimization.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 atom_types.mod base_hooks.mod kinds.mod lapack.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_electronic_structure.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod atom_output.mod atom_utils.mod kinds.mod base_hooks.mod atom_xc.mod atom_optimization.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F atom_electronic_structure.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:44:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_electronic_structure.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F:691:13: 691 | IF (need_xc) THEN | ^ Warning: ‘need_xc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F:454:75: 454 | need_x, need_xc | ^ note: ‘need_xc’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F:664:13: 664 | IF (need_x) THEN | ^ Warning: ‘need_x’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F:454:66: 454 | need_x, need_xc | ^ note: ‘need_x’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F:342:13: 342 | IF (need_xc) THEN | ^ Warning: ‘need_xc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F:137:75: 137 | need_x, need_xc, need_zmp | ^ note: ‘need_xc’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F:322:13: 322 | IF (need_x) THEN | ^ Warning: ‘need_x’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F:137:66: 137 | need_x, need_xc, need_zmp | ^ note: ‘need_x’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_electronic_structure.mod' due to: atom_electronic_structure.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_electronic_structure.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod atom_output.mod atom_utils.mod kinds.mod base_hooks.mod atom_xc.mod atom_optimization.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_fit.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_fit.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod atom_output.mod mathconstants.mod atom_operators.mod atom_utils.mod kinds.mod base_hooks.mod cp_files.mod lapack.mod powell.mod periodic_table.mod atom_electronic_structure.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_fit.F atom_fit.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:44:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_fit.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atom_fit.F:1855:21: 1855 | END FUNCTION rcpro | ^ Warning: ‘yval’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_fit.F:1838:40: 1838 | FUNCTION rcpro(id, xval) RESULT(yval) | ^ note: ‘yval’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/atom_fit.F:182:64: 182 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob | ^ Warning: ‘xtob.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_fit.mod' due to: atom_fit.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_fit.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod atom_output.mod mathconstants.mod atom_operators.mod atom_utils.mod kinds.mod base_hooks.mod cp_files.mod lapack.mod powell.mod periodic_table.mod atom_electronic_structure.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_kind_orbitals.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_kind_orbitals.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod atom_types.mod external_potential_types.mod rel_control_types.mod basis_set_types.mod atomic_kind_types.mod input_constants.mod atom_operators.mod base_hooks.mod ai_onecenter.mod atom_fit.mod atom_electronic_structure.mod qs_grid_atom.mod kinds.mod mathconstants.mod atom_utils.mod periodic_table.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_kind_orbitals.F atom_kind_orbitals.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:44:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_kind_orbitals.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_kind_orbitals.mod' due to: atom_kind_orbitals.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_kind_orbitals.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod atom_types.mod external_potential_types.mod rel_control_types.mod basis_set_types.mod atomic_kind_types.mod input_constants.mod atom_operators.mod base_hooks.mod ai_onecenter.mod atom_fit.mod atom_electronic_structure.mod qs_grid_atom.mod kinds.mod mathconstants.mod atom_utils.mod periodic_table.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'sirius_interface.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/sirius_interface.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pwdft_environment_types.mod input_section_types.mod atom_types.mod external_potential_types.mod atomic_kind_types.mod input_constants.mod atom_kind_orbitals.mod base_hooks.mod atom_upf.mod qs_grid_atom.mod cp_output_handling.mod kinds.mod cp_log_handling.mod mathconstants.mod atom_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/sirius_interface.F sirius_interface.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' sirius_interface.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'sirius_interface.mod' due to: sirius_interface.o /build/cp2k-6PcaEs/cp2k-8.1/src/sirius_interface.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pwdft_environment_types.mod input_section_types.mod atom_types.mod external_potential_types.mod atomic_kind_types.mod input_constants.mod atom_kind_orbitals.mod base_hooks.mod atom_upf.mod qs_grid_atom.mod cp_output_handling.mod kinds.mod cp_log_handling.mod mathconstants.mod atom_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'header.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/header.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod cp2k_info.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/header.F header.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' header.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'header.mod' due to: header.o /build/cp2k-6PcaEs/cp2k-8.1/src/header.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod cp2k_info.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pwdft_environment.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pwdft_environment.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_subsys_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod pwdft_environment_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_energy_types.mod atomic_kind_types.mod base_hooks.mod distribution_methods.mod cp_symmetry.mod kinds.mod cp_log_handling.mod machine.mod qs_subsys_methods.mod particle_methods.mod sirius_interface.mod header.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pwdft_environment.F pwdft_environment.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pwdft_environment.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pwdft_environment.mod' due to: pwdft_environment.o /build/cp2k-6PcaEs/cp2k-8.1/src/pwdft_environment.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_subsys_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod pwdft_environment_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod qs_energy_types.mod atomic_kind_types.mod base_hooks.mod distribution_methods.mod cp_symmetry.mod kinds.mod cp_log_handling.mod machine.mod qs_subsys_methods.mod particle_methods.mod sirius_interface.mod header.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'restraint.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/restraint.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 molecule_list_types.mod particle_types.mod cell_types.mod particle_list_types.mod force_env_types.mod distribution_1d_types.mod colvar_types.mod molecule_kind_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod colvar_methods.mod message_passing.mod kinds.mod base_hooks.mod constraint_fxd.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/restraint.F restraint.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' restraint.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'restraint.mod' due to: restraint.o /build/cp2k-6PcaEs/cp2k-8.1/src/restraint.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 molecule_list_types.mod particle_types.mod cell_types.mod particle_list_types.mod force_env_types.mod distribution_1d_types.mod colvar_types.mod molecule_kind_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod colvar_methods.mod message_passing.mod kinds.mod base_hooks.mod constraint_fxd.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'external_potential_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/external_potential_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod particle_list_types.mod cp_subsys_types.mod memory_utilities.mod kinds.mod base_hooks.mod force_fields_util.mod string_utilities.mod cp_log_handling.mod fparser.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/external_potential_methods.F external_potential_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' external_potential_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'external_potential_methods.mod' due to: external_potential_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/external_potential_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod particle_list_types.mod cp_subsys_types.mod memory_utilities.mod kinds.mod base_hooks.mod force_fields_util.mod string_utilities.mod cp_log_handling.mod fparser.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'linear_systems.mod' due to: linear_systems.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'constraint_4x6.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_4x6.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod mathlib.mod kinds.mod base_hooks.mod linear_systems.mod constraint_fxd.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_4x6.F constraint_4x6.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_4x6.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'constraint_4x6.mod' due to: constraint_4x6.o /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_4x6.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod mathlib.mod kinds.mod base_hooks.mod linear_systems.mod constraint_fxd.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'constraint_vsite.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_vsite.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod particle_list_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod molecule_list_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_vsite.F constraint_vsite.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_vsite.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'constraint_vsite.mod' due to: constraint_vsite.o /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_vsite.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod particle_list_types.mod force_env_types.mod distribution_1d_types.mod molecule_kind_types.mod molecule_list_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'constraint_3x3.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_3x3.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod mathlib.mod kinds.mod base_hooks.mod linear_systems.mod constraint_fxd.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_3x3.F constraint_3x3.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_3x3.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'constraint_3x3.mod' due to: constraint_3x3.o /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_3x3.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod mathlib.mod kinds.mod base_hooks.mod linear_systems.mod constraint_fxd.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'constraint_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod virial_types.mod molecule_kind_types.mod molecule_types.mod colvar_methods.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_util.F constraint_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'constraint_util.mod' due to: constraint_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod virial_types.mod molecule_kind_types.mod molecule_types.mod colvar_methods.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'constraint_clv.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_clv.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod colvar_types.mod molecule_kind_types.mod molecule_types.mod colvar_methods.mod mathlib.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_clv.F constraint_clv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint_clv.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'constraint_clv.mod' due to: constraint_clv.o /build/cp2k-6PcaEs/cp2k-8.1/src/constraint_clv.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod colvar_types.mod molecule_kind_types.mod molecule_types.mod colvar_methods.mod mathlib.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'constraint.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/constraint.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod colvar_types.mod cp_para_types.mod molecule_types.mod cell_types.mod simpar_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod constraint_4x6.mod message_passing.mod kinds.mod constraint_vsite.mod constraint_3x3.mod cp_log_handling.mod memory_utilities.mod constraint_util.mod constraint_clv.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/constraint.F constraint.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constraint.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'constraint.mod' due to: constraint.o /build/cp2k-6PcaEs/cp2k-8.1/src/constraint.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod colvar_types.mod cp_para_types.mod molecule_types.mod cell_types.mod simpar_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod constraint_4x6.mod message_passing.mod kinds.mod constraint_vsite.mod constraint_3x3.mod cp_log_handling.mod memory_utilities.mod constraint_util.mod constraint_clv.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'force_env_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod particle_list_types.mod force_env_types.mod distribution_1d_types.mod atomic_kind_list_types.mod molecule_list_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod constraint.mod kinds.mod base_hooks.mod constraint_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_utils.F force_env_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_env_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'force_env_utils.mod' due to: force_env_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod particle_list_types.mod force_env_types.mod distribution_1d_types.mod atomic_kind_list_types.mod molecule_list_types.mod molecule_types.mod cp_subsys_types.mod molecule_kind_list_types.mod constraint.mod kinds.mod base_hooks.mod constraint_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_cfm_diag.mod' due to: cp_cfm_diag.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_diag.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_diag.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod cp_cfm_diag.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_fm_diag.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_dbcsr_diag.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_diag.mod' due to: cp_dbcsr_diag.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_diag.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod cp_cfm_diag.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_fm_diag.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fermi_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fermi_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kahan_sum.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fermi_utils.F fermi_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fermi_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fermi_utils.mod' due to: fermi_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/fermi_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kahan_sum.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_mo_occupation.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_occupation.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xas_env_types.mod scf_control_types.mod qs_mo_types.mod input_constants.mod util.mod kinds.mod base_hooks.mod kahan_sum.mod fermi_utils.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_occupation.F qs_mo_occupation.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mo_occupation.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_occupation.F:157:26: 157 | homo_a = lfomo_a - 1 | ^ Warning: ‘lfomo_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_occupation.F:164:26: 164 | homo_b = lfomo_b - 1 | ^ Warning: ‘lfomo_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_mo_occupation.mod' due to: qs_mo_occupation.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_occupation.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xas_env_types.mod scf_control_types.mod qs_mo_types.mod input_constants.mod util.mod kinds.mod base_hooks.mod kahan_sum.mod fermi_utils.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'admm_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/admm_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 admm_types.mod input_constants.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/admm_utils.F admm_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' admm_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'admm_utils.mod' due to: admm_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/admm_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 admm_types.mod input_constants.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_mo_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod scf_control_types.mod cp_fm_types.mod qs_mo_types.mod admm_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_dbcsr_diag.mod cp_gemm_interface.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_mo_occupation.mod admm_utils.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_methods.F qs_mo_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mo_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_mo_methods.mod' due to: qs_mo_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod scf_control_types.mod cp_fm_types.mod qs_mo_types.mod admm_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_dbcsr_diag.mod cp_gemm_interface.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_mo_occupation.mod admm_utils.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_mo_io.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod basis_set_types.mod atomic_kind_types.mod qs_dftb_types.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod orbital_symbols.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod string_utilities.mod cp_log_handling.mod qs_mo_methods.mod cp_files.mod qs_mo_occupation.mod kahan_sum.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F qs_mo_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mo_io.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:679:32: 679 | nspin_read, offset_read, source | ^ Warning: ‘offset_read’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:871:31: 871 | IF (minbas) THEN | ^ Warning: ‘minbas’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:922:48: 922 | READ (rst_unit) vecbuffer_read | ^ Warning: ‘vecbuffer_read.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:685:85: 685 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: vecbuffer, vecbuffer_read | ^ Warning: ‘vecbuffer_read.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:682:81: 682 | INTEGER, DIMENSION(:, :, :), POINTER :: nso_info, offset_info | ^ Warning: ‘offset_info.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:879:89: 879 | offset_read = offset_info(ishell_read, iset_read, iatom) | ^ Warning: ‘offset_info.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:682:81: 682 | INTEGER, DIMENSION(:, :, :), POINTER :: nso_info, offset_info | ^ Warning: ‘offset_info.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:953:33: 953 | DEALLOCATE (offset_info) | ^ Warning: ‘offset_info.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:682:68: 682 | INTEGER, DIMENSION(:, :, :), POINTER :: nso_info, offset_info | ^ Warning: ‘nso_info.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:878:34: 878 | IF (nso(lshell) == nso_info(ishell_read, iset_read, iatom)) THEN | ^ Warning: ‘nso_info.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:682:68: 682 | INTEGER, DIMENSION(:, :, :), POINTER :: nso_info, offset_info | ^ Warning: ‘nso_info.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:878:34: 878 | IF (nso(lshell) == nso_info(ishell_read, iset_read, iatom)) THEN | ^ Warning: ‘nso_info.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:681:74: 681 | INTEGER, DIMENSION(:, :), POINTER :: l, nshell_info | ^ Warning: ‘nshell_info.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:681:74: Warning: ‘nshell_info.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:681:74: Warning: ‘nshell_info.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:680:69: 680 | INTEGER, DIMENSION(:), POINTER :: nset_info, nshell | ^ Warning: ‘nset_info.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:1013:67: 1013 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cmatrix, smatrix | ^ Warning: ‘cmatrix.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F:1013:67: Warning: ‘cmatrix.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_mo_io.mod' due to: qs_mo_io.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mo_io.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod basis_set_types.mod atomic_kind_types.mod qs_dftb_types.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod orbital_symbols.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod string_utilities.mod cp_log_handling.mod qs_mo_methods.mod cp_files.mod qs_mo_occupation.mod kahan_sum.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hirshfeld_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hirshfeld_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_environment_types.mod hirshfeld_types.mod realspace_grid_types.mod atomic_kind_types.mod input_constants.mod atom_kind_orbitals.mod base_hooks.mod pw_methods.mod ao_util.mod message_passing.mod grid_api.mod kinds.mod cp_units.mod mathconstants.mod cube_utils.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hirshfeld_methods.F hirshfeld_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hirshfeld_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hirshfeld_methods.mod' due to: hirshfeld_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/hirshfeld_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_environment_types.mod hirshfeld_types.mod realspace_grid_types.mod atomic_kind_types.mod input_constants.mod atom_kind_orbitals.mod base_hooks.mod pw_methods.mod ao_util.mod message_passing.mod grid_api.mod kinds.mod cp_units.mod mathconstants.mod cube_utils.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'realspace_grid_cube.mod' due to: realspace_grid_cube.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_realspace_grid_cube.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_realspace_grid_cube.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod atomic_kind_types.mod particle_list_types.mod cp_output_handling.mod kinds.mod base_hooks.mod realspace_grid_cube.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_realspace_grid_cube.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_realspace_grid_cube.mod' due to: cp_realspace_grid_cube.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_realspace_grid_cube.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod atomic_kind_types.mod particle_list_types.mod cp_output_handling.mod kinds.mod base_hooks.mod realspace_grid_cube.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'd3_poly.mod' due to: d3_poly.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pw_env_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 ps_wavelet_types.mod cp_para_types.mod pw_grid_types.mod qs_rho0_types.mod qs_dispersion_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod input_section_types.mod ps_implicit_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod dielectric_types.mod cp_realspace_grid_init.mod input_constants.mod xc_input_constants.mod base_hooks.mod d3_poly.mod ao_util.mod cp_output_handling.mod kinds.mod pw_poisson_read_input.mod dct.mod cp_log_handling.mod pw_grids.mod pw_grid_info.mod pw_poisson_methods.mod cube_utils.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env_methods.F pw_env_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:45:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pw_env_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env_methods.F:1028:45: 1028 | 1, (/-1, -1, -1/)) | ^ Warning: ‘border_points’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env_methods.F:797:16: 797 | IF (igrid_zet0_s == igrid_level) maxradius = MAX(maxradius, max_rpgf0_s) | ^ Warning: ‘igrid_zet0_s’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env_methods.F:751:67: 751 | INTEGER :: handle, ibasis_set_type, igrid_level, igrid_zet0_s, ikind, ipgf, iset, ishell, & | ^ note: ‘igrid_zet0_s’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pw_env_methods.mod' due to: pw_env_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 ps_wavelet_types.mod cp_para_types.mod pw_grid_types.mod qs_rho0_types.mod qs_dispersion_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod input_section_types.mod ps_implicit_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod dielectric_types.mod cp_realspace_grid_init.mod input_constants.mod xc_input_constants.mod base_hooks.mod d3_poly.mod ao_util.mod cp_output_handling.mod kinds.mod pw_poisson_read_input.mod dct.mod cp_log_handling.mod pw_grids.mod pw_grid_info.mod pw_poisson_methods.mod cube_utils.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mixed_cdft_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod qs_cdft_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod force_env_types.mod mixed_cdft_types.mod cp_control_types.mod global_types.mod pw_pool_types.mod cp_fm_types.mod mixed_environment_types.mod input_section_types.mod qs_environment_types.mod cp_subsys_types.mod hirshfeld_types.mod realspace_grid_types.mod atomic_kind_types.mod cp_blacs_env.mod cp_realspace_grid_init.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod d3_poly.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod cp_array_utils.mod kinds.mod pw_env_methods.mod cp_log_handling.mod cp_files.mod pw_grids.mod cube_utils.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F mixed_cdft_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:46:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_cdft_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F:981:69: 981 | mixed_cdft%sub_logger(i)%p%iter_info%project_name = c_val | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F:1567:42: 1567 | nzeroed = nzeroed + 1 | ^ Warning: ‘nzeroed’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F:1058:92: 1058 | TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: matrix_p_tmp, mixed_matrix_p_tmp, & | ^ Warning: ‘mixed_matrix_p_tmp.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F:1058:92: Warning: ‘mixed_matrix_p_tmp.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F:1056:69: 1056 | TYPE(cp_1d_r_p_type), ALLOCATABLE, DIMENSION(:, :) :: occno_tmp | ^ Warning: ‘occno_tmp.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F:1056:69: Warning: ‘occno_tmp.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F:1058:72: 1058 | TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: matrix_p_tmp, mixed_matrix_p_tmp, & | ^ Warning: ‘matrix_p_tmp.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F:1058:72: Warning: ‘matrix_p_tmp.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F:1064:74: 1064 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, w_matrix | ^ Warning: ‘density_matrix.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F:1064:74: Warning: ‘density_matrix.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mixed_cdft_utils.mod' due to: mixed_cdft_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_grid_types.mod qs_cdft_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod force_env_types.mod mixed_cdft_types.mod cp_control_types.mod global_types.mod pw_pool_types.mod cp_fm_types.mod mixed_environment_types.mod input_section_types.mod qs_environment_types.mod cp_subsys_types.mod hirshfeld_types.mod realspace_grid_types.mod atomic_kind_types.mod cp_blacs_env.mod cp_realspace_grid_init.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod d3_poly.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod cp_array_utils.mod kinds.mod pw_env_methods.mod cp_log_handling.mod cp_files.mod pw_grids.mod cube_utils.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mixed_cdft_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_cdft_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod force_env_types.mod mixed_cdft_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod mixed_environment_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod particle_list_types.mod cp_subsys_types.mod hirshfeld_types.mod realspace_grid_types.mod atomic_kind_types.mod input_constants.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod hirshfeld_methods.mod pw_methods.mod ao_util.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod grid_api.mod cp_array_utils.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod mathlib.mod cp_units.mod memory_utilities.mod cp_dbcsr_diag.mod cp_gemm_interface.mod qs_mo_methods.mod cp_realspace_grid_cube.mod util.mod mixed_cdft_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:46:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mixed_cdft_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:2034:40: 2034 | metric(:, :) = metric(:, :)/4.0_dp | ^ Warning: ‘density_matrix_diff.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:1188:95: 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & | ^ note: ‘density_matrix_diff.dim[1].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:1188:95: Warning: ‘density_matrix_diff.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:1188:95: Warning: ‘density_matrix_diff.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:1171:64: 1171 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: homo | ^ Warning: ‘homo.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:1171:64: Warning: ‘homo.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:1171:64: Warning: ‘homo.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:1188:74: 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & | ^ Warning: ‘density_matrix.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:1509:84: 1509 | density_matrix(jstate, ispin)%matrix, -1.0_dp, 1.0_dp) | ^ Warning: ‘density_matrix.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:1188:74: 1188 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & | ^ Warning: ‘density_matrix.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3449:13: 3449 | IF (ANY(mask_send)) THEN | ^ Warning: ‘mask_send.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:2764:80: 2764 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched | ^ note: ‘mask_send.dim[0].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3466:13: 3466 | IF (ANY(mask_recv)) THEN | ^ Warning: ‘mask_recv.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:2764:69: 2764 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched | ^ note: ‘mask_recv.dim[0].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3401:97: 3401 | ALLOCATE (req_total(COUNT(mixed_cdft%dlb_control%recv_work_repl) + 2*COUNT(touched))) | ^ Warning: ‘touched.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:2764:89: 2764 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched | ^ note: ‘touched.dim[0].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:2830:93: 2830 | REAL(bo(2, 1) - bo(1, 1) + 1, dp)) | ^ Warning: ‘my_work_size’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:2309:44: 2309 | jatom, katom, my_work, my_work_size, natom, nforce_eval, nkind, np(3), npme, nthread, & | ^ note: ‘my_work_size’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight | ^ Warning: ‘weight.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3877:61: 3877 | DO i = LBOUND(weight, 3), UBOUND(weight, 3) | ^ Warning: ‘weight.dim[2].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight | ^ note: ‘weight.dim[2].lbound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3877:61: 3877 | DO i = LBOUND(weight, 3), UBOUND(weight, 3) | ^ Warning: ‘weight.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight | ^ note: ‘weight.dim[2].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: ‘weight.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3829:58: 3829 | DO j = LBOUND(weight, 2), UBOUND(weight, 2) | ^ Warning: ‘weight.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight | ^ note: ‘weight.dim[1].lbound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3829:58: 3829 | DO j = LBOUND(weight, 2), UBOUND(weight, 2) | ^ Warning: ‘weight.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight | ^ note: ‘weight.dim[1].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: ‘weight.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: ‘weight.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: ‘weight.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:74: Warning: ‘weight.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: 3555 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: gradients | ^ Warning: ‘gradients.dim[3].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: ‘gradients.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: ‘gradients.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: ‘gradients.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3555:69: Warning: ‘gradients.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: 3554 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight | ^ Warning: ‘cavity.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: Warning: ‘cavity.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: Warning: ‘cavity.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3554:66: Warning: ‘cavity.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3549:68: 3549 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj | ^ Warning: ‘dp_i_drj.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3549:68: Warning: ‘dp_i_drj.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3891:41: 3891 | dP_i_dRi = 0.0_dp | ^ Warning: ‘dp_i_dri.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3548:83: 3548 | distance_vecs, dP_i_dRi | ^ note: ‘dp_i_dri.dim[1].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3889:44: 3889 | d_sum_Pm_dR = 0.0_dp | ^ Warning: ‘d_sum_pm_dr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3547:87: 3547 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_const_dR, d_sum_Pm_dR, & | ^ note: ‘d_sum_pm_dr.dim[1].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3890:47: 3890 | d_sum_const_dR = 0.0_dp | ^ Warning: ‘d_sum_const_dr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F:3547:74: 3547 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_const_dR, d_sum_Pm_dR, & | ^ note: ‘d_sum_const_dr.dim[1].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mixed_cdft_methods.mod' due to: mixed_cdft_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/mixed_cdft_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_cdft_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod force_env_types.mod mixed_cdft_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod mixed_environment_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod particle_list_types.mod cp_subsys_types.mod hirshfeld_types.mod realspace_grid_types.mod atomic_kind_types.mod input_constants.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod hirshfeld_methods.mod pw_methods.mod ao_util.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod grid_api.mod cp_array_utils.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod mathlib.mod cp_units.mod memory_utilities.mod cp_dbcsr_diag.mod cp_gemm_interface.mod qs_mo_methods.mod cp_realspace_grid_cube.mod util.mod mixed_cdft_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'grrm_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/grrm_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod force_env_types.mod cp_control_types.mod qs_environment_types.mod qs_energy_types.mod kinds.mod base_hooks.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/grrm_utils.F grrm_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:46:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' grrm_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'grrm_utils.mod' due to: grrm_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/grrm_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod force_env_types.mod cp_control_types.mod qs_environment_types.mod qs_energy_types.mod kinds.mod base_hooks.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'nnp_force.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_force.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod nnp_environment_types.mod distribution_1d_types.mod atomic_kind_types.mod cp_subsys_types.mod periodic_table.mod nnp_model.mod message_passing.mod cp_units.mod nnp_acsf.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_force.F nnp_force.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:46:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' nnp_force.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'nnp_force.mod' due to: nnp_force.o /build/cp2k-6PcaEs/cp2k-8.1/src/nnp_force.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod nnp_environment_types.mod distribution_1d_types.mod atomic_kind_types.mod cp_subsys_types.mod periodic_table.mod nnp_model.mod message_passing.mod cp_units.mod nnp_acsf.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'beta_gamma_psi.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/beta_gamma_psi.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/beta_gamma_psi.F beta_gamma_psi.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:46:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' beta_gamma_psi.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/beta_gamma_psi.F:2275:2: 2275 | 20 f = a*rlog1(-lambda/a) + b*rlog1(lambda/b) | 1 Warning: Label 20 at (1) defined but not used [-Wunused-label] /build/cp2k-6PcaEs/cp2k-8.1/src/beta_gamma_psi.F:153:3: 153 | FUNCTION epsln() RESULT(fn_val) | ^ Warning: ‘epsln’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/beta_gamma_psi.F:173:3: 173 | FUNCTION exparg(l) RESULT(fn_val) | ^ Warning: ‘exparg’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/beta_gamma_psi.F:202:3: 202 | FUNCTION depsln() RESULT(fn_val) | ^ Warning: ‘depsln’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/beta_gamma_psi.F:1353:20: 1353 | SUBROUTINE bratio(a, b, x, y, w, w1, ierr) | ^ Warning: ‘bratio’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'beta_gamma_psi.mod' due to: beta_gamma_psi.o /build/cp2k-6PcaEs/cp2k-8.1/src/beta_gamma_psi.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fp_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fp_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod fp_types.mod particle_list_types.mod cp_subsys_types.mod beta_gamma_psi.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fp_methods.F fp_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:46:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fp_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/fp_methods.F:197:72: 197 | tmpstr = cp_iter_string(logger%iter_info, fp_env%print_section) | 1 Warning: CHARACTER expression will be truncated in assignment (15/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/fp_methods.F:183:53: 183 | fp_env%bias_weight = EXP(fp_env%bias_energy/kT) | ^ Warning: ‘kt’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fp_methods.mod' due to: fp_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/fp_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod fp_types.mod particle_list_types.mod cp_subsys_types.mod beta_gamma_psi.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_kinetic.mod' due to: ai_kinetic.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_cp2k_link.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_cp2k_link.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod qs_neighbor_list_types.mod input_keyword_types.mod cp_control_types.mod qs_ks_types.mod atomic_kind_types.mod basis_set_types.mod orbital_pointers.mod string_utilities.mod cp_dbcsr_operations.mod bibliography.mod kinds.mod base_hooks.mod qs_integral_utils.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_cp2k_link.F cp_dbcsr_cp2k_link.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_dbcsr_cp2k_link.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_cp2k_link.F:509:13: 509 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_cp2k_link.mod' due to: cp_dbcsr_cp2k_link.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_cp2k_link.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod qs_neighbor_list_types.mod input_keyword_types.mod cp_control_types.mod qs_ks_types.mod atomic_kind_types.mod basis_set_types.mod orbital_pointers.mod string_utilities.mod cp_dbcsr_operations.mod bibliography.mod kinds.mod base_hooks.mod qs_integral_utils.mod ao_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'virial_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/virial_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod virial_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cp_para_types.mod particle_list_types.mod cp_subsys_types.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/virial_methods.F virial_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' virial_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'virial_methods.mod' due to: virial_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/virial_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod virial_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cp_para_types.mod particle_list_types.mod cp_subsys_types.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_contraction.mod' due to: ai_contraction.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_overlap.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_overlap.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod kpoint_types.mod block_p_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod orbital_symbols.mod cp_dbcsr_cp2k_link.mod kinds.mod qs_integral_utils.mod string_utilities.mod ai_overlap.mod particle_methods.mod virial_methods.mod ai_contraction.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_overlap.F qs_overlap.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_overlap.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_overlap.F:312:46: 312 | !$OMP REDUCTION (+ : pv_thread, force_thread ) | ^ Warning: ‘use_virial’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_overlap.F:312:46: Warning: ‘use_cell_mapping’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_overlap.F:522:10: 522 | IF (dokp) THEN | ^ Warning: ‘dokp’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_overlap.mod' due to: qs_overlap.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_overlap.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod kpoint_types.mod block_p_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod orbital_symbols.mod cp_dbcsr_cp2k_link.mod kinds.mod qs_integral_utils.mod string_utilities.mod ai_overlap.mod particle_methods.mod virial_methods.mod ai_contraction.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_kinetic.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kinetic.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod ai_kinetic.mod qs_overlap.mod kinds.mod qs_integral_utils.mod virial_methods.mod ai_contraction.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kinetic.F qs_kinetic.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_kinetic.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kinetic.F:165:95: 165 | trans, use_cell_mapping, use_virial | ^ Warning: ‘use_virial’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kinetic.F:264:46: 264 | !$OMP REDUCTION (+ : pv_thread, force_thread ) | ^ Warning: ‘use_cell_mapping’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kinetic.F:164:89: 164 | LOGICAL :: do_forces, do_symmetric, dokp, found, & | ^ Warning: ‘dokp’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_kinetic.mod' due to: qs_kinetic.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kinetic.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod ai_kinetic.mod qs_overlap.mod kinds.mod qs_integral_utils.mod virial_methods.mod ai_contraction.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rs_pw_interface.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/rs_pw_interface.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod pw_env_types.mod pw_types.mod pw_pool_types.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod pw_methods.mod cp_spline_utils.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/rs_pw_interface.F rs_pw_interface.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rs_pw_interface.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rs_pw_interface.mod' due to: rs_pw_interface.o /build/cp2k-6PcaEs/cp2k-8.1/src/pw_env/rs_pw_interface.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod pw_env_types.mod pw_types.mod pw_pool_types.mod kinds.mod base_hooks.mod gaussian_gridlevels.mod pw_methods.mod cp_spline_utils.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_integrate_potential_single.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integrate_potential_single.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_force_types.mod external_potential_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod lri_environment_types.mod atomic_kind_types.mod atprop_types.mod orbital_pointers.mod base_hooks.mod ao_util.mod message_passing.mod grid_api.mod kinds.mod memory_utilities.mod rs_pw_interface.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_single.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_integrate_potential_single.mod' due to: qs_integrate_potential_single.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integrate_potential_single.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_force_types.mod external_potential_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod lri_environment_types.mod atomic_kind_types.mod atprop_types.mod orbital_pointers.mod base_hooks.mod ao_util.mod message_passing.mod grid_api.mod kinds.mod memory_utilities.mod rs_pw_interface.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'task_list_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/task_list_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/common/array_sort.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod task_list_types.mod basis_set_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod base_hooks.mod ao_util.mod message_passing.mod grid_api.mod kinds.mod memory_utilities.mod particle_methods.mod util.mod cube_utils.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/task_list_methods.F task_list_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' task_list_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/task_list_methods.F:1015:66: 1015 | ilocal, k, maxdest, Ncpu, Nflux | ^ Warning: ‘ilocal’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/task_list_methods.F:402:46: 402 | task_list%npairs(igrid_level) = ipair | ^ Warning: ‘igrid_level’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'task_list_methods.mod' due to: task_list_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/task_list_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/common/array_sort.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod task_list_types.mod basis_set_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod base_hooks.mod ao_util.mod message_passing.mod grid_api.mod kinds.mod memory_utilities.mod particle_methods.mod util.mod cube_utils.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_collocate_density.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_collocate_density.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod external_potential_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod ao_util.mod grid_api.mod task_list_methods.mod kinds.mod memory_utilities.mod rs_pw_interface.mod cube_utils.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_collocate_density.F qs_collocate_density.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_collocate_density.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_collocate_density.F:1926:10: 1926 | IF (distributed_rs_grids) THEN | ^ Warning: ‘distributed_rs_grids’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_collocate_density.mod' due to: qs_collocate_density.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_collocate_density.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod external_potential_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod ao_util.mod grid_api.mod task_list_methods.mod kinds.mod memory_utilities.mod rs_pw_interface.mod cube_utils.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'optimize_embedding_potential.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_embedding_potential.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod xc_rho_cflags_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod force_env_types.mod cp_control_types.mod embed_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod xc_rho_set_types.mod particle_list_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod qs_kinetic.mod base_hooks.mod pw_methods.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod kinds.mod qs_integrate_potential_single.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_collocate_density.mod mathconstants.mod cp_gemm_interface.mod cp_files.mod cp_fm_diag.mod mixed_environment_utils.mod pw_poisson_methods.mod xc.mod cp_realspace_grid_cube.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_embedding_potential.F optimize_embedding_potential.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_embedding_potential.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_embedding_potential.F:1977:32: 1977 | SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) | ^ Warning: ‘inv_hessian_update’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_embedding_potential.F:2085:28: 2085 | SUBROUTINE Hessian_update(grad, prev_grad, step, prev_Hess, Hess) | ^ Warning: ‘hessian_update’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_embedding_potential.F:3430:40: 3430 | CALL pw_release(pot_beta%pw) | ^ Warning: ‘pot_beta’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'optimize_embedding_potential.mod' due to: optimize_embedding_potential.o /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_embedding_potential.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod xc_rho_cflags_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod force_env_types.mod cp_control_types.mod embed_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod xc_rho_set_types.mod particle_list_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod qs_kinetic.mod base_hooks.mod pw_methods.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod kinds.mod qs_integrate_potential_single.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_collocate_density.mod mathconstants.mod cp_gemm_interface.mod cp_files.mod cp_fm_diag.mod mixed_environment_utils.mod pw_poisson_methods.mod xc.mod cp_realspace_grid_cube.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'scine_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/scine_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod force_env_types.mod cp_control_types.mod qs_environment_types.mod qs_energy_types.mod kinds.mod base_hooks.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/scine_utils.F scine_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' scine_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'scine_utils.mod' due to: scine_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/scine_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod force_env_types.mod cp_control_types.mod qs_environment_types.mod qs_energy_types.mod kinds.mod base_hooks.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eip_silicon.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/eip_silicon.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod eip_environment_types.mod distribution_1d_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cp_para_types.mod cp_subsys_types.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/eip_silicon.F eip_silicon.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eip_silicon.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eip_silicon.mod' due to: eip_silicon.o /build/cp2k-6PcaEs/cp2k-8.1/src/eip_silicon.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod eip_environment_types.mod distribution_1d_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cp_para_types.mod cp_subsys_types.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atomic_charges.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atomic_charges.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod atomic_kind_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atomic_charges.F atomic_charges.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atomic_charges.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atomic_charges.F:136:30: 136 | SUBROUTINE print_multipoles(particle_set, qs_kind_set, scr, charge, dipole, quadrupole) | ^ Warning: ‘print_multipoles’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atomic_charges.mod' due to: atomic_charges.o /build/cp2k-6PcaEs/cp2k-8.1/src/atomic_charges.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod atomic_kind_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mulliken.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mulliken.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod atomic_charges.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mulliken.F mulliken.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:47:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mulliken.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mulliken.mod' due to: mulliken.o /build/cp2k-6PcaEs/cp2k-8.1/src/mulliken.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cp_control_types.mod cp_para_types.mod message_passing.mod atomic_charges.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pme_tools.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pme_tools.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod particle_types.mod cell_types.mod atomic_kind_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pme_tools.F pme_tools.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pme_tools.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pme_tools.mod' due to: pme_tools.o /build/cp2k-6PcaEs/cp2k-8.1/src/pme_tools.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod particle_types.mod cell_types.mod atomic_kind_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'spme.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/spme.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod pw_types.mod pw_grid_types.mod cell_types.mod pw_poisson_types.mod pw_pool_types.mod ewald_pw_types.mod realspace_grid_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod dgs.mod base_hooks.mod pme_tools.mod pw_methods.mod bibliography.mod kinds.mod mathconstants.mod pw_grids.mod pw_poisson_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/spme.F spme.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' spme.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'spme.mod' due to: spme.o /build/cp2k-6PcaEs/cp2k-8.1/src/spme.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod pw_types.mod pw_grid_types.mod cell_types.mod pw_poisson_types.mod pw_pool_types.mod ewald_pw_types.mod realspace_grid_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod dgs.mod base_hooks.mod pme_tools.mod pw_methods.mod bibliography.mod kinds.mod mathconstants.mod pw_grids.mod pw_poisson_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ewald_methods_tb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_methods_tb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod cell_types.mod pw_poisson_types.mod pw_pool_types.mod ewald_pw_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod atprop_types.mod ewald_environment_types.mod spme.mod dgs.mod base_hooks.mod pme_tools.mod pw_methods.mod kinds.mod mathconstants.mod virial_methods.mod pw_grids.mod pw_poisson_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_methods_tb.F ewald_methods_tb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewald_methods_tb.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_methods_tb.F:392:58: 392 | pfr = -dfr*mcharge(iatom)*mcharge(jatom) | ^ Warning: ‘dfr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ewald_methods_tb.mod' due to: ewald_methods_tb.o /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_methods_tb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod cell_types.mod pw_poisson_types.mod pw_pool_types.mod ewald_pw_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod atprop_types.mod ewald_environment_types.mod spme.mod dgs.mod base_hooks.mod pme_tools.mod pw_methods.mod kinds.mod mathconstants.mod virial_methods.mod pw_grids.mod pw_poisson_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_tb_coulomb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod qmmm_types_low.mod qs_force_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_environment_types.mod qs_energy_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod base_hooks.mod message_passing.mod kinds.mod ewald_methods_tb.mod mathconstants.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_coulomb.F qmmm_tb_coulomb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_tb_coulomb.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_tb_coulomb.mod' due to: qmmm_tb_coulomb.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod qmmm_types_low.mod qs_force_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_environment_types.mod qs_energy_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod base_hooks.mod message_passing.mod kinds.mod ewald_methods_tb.mod mathconstants.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dftb3_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb3_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod sap_kind_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod qs_force_types.mod distribution_1d_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod base_hooks.mod message_passing.mod kinds.mod virial_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb3_methods.F qs_dftb3_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb3_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dftb3_methods.mod' due to: qs_dftb3_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb3_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod sap_kind_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod qs_force_types.mod distribution_1d_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod base_hooks.mod message_passing.mod kinds.mod virial_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dftb_coulomb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod sap_kind_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod qs_force_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod qs_dftb_types.mod qmmm_tb_coulomb.mod base_hooks.mod qs_dftb3_methods.mod message_passing.mod qs_dftb_utils.mod kinds.mod ewald_methods_tb.mod mathconstants.mod virial_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_coulomb.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dftb_coulomb.mod' due to: qs_dftb_coulomb.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod sap_kind_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod qs_force_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod qs_dftb_types.mod qmmm_tb_coulomb.mod base_hooks.mod qs_dftb3_methods.mod message_passing.mod qs_dftb_utils.mod kinds.mod ewald_methods_tb.mod mathconstants.mod virial_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'efield_tb_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/efield_tb_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod qs_environment_types.mod qs_energy_types.mod qs_period_efield_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod base_hooks.mod message_passing.mod kinds.mod mathconstants.mod virial_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/efield_tb_methods.F efield_tb_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' efield_tb_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'efield_tb_methods.mod' due to: efield_tb_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/efield_tb_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod qs_environment_types.mod qs_energy_types.mod qs_period_efield_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod base_hooks.mod message_passing.mod kinds.mod mathconstants.mod virial_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_output.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_output.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_kind_types.mod qs_environment_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod basis_set_types.mod machine.mod mathlib.mod message_passing.mod orbital_pointers.mod particle_methods.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_output.F cp_dbcsr_output.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_dbcsr_output.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_output.F:245:10: 245 | IF (print_sym) THEN | ^ Warning: ‘print_sym’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_output.mod' due to: cp_dbcsr_output.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_output.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_kind_types.mod qs_environment_types.mod cp_para_types.mod atomic_kind_types.mod cp_fm_types.mod basis_set_types.mod machine.mod mathlib.mod message_passing.mod orbital_pointers.mod particle_methods.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dftb_matrices.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_matrices.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod block_p_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod qs_dftb_types.mod mulliken.mod efield_tb_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_dftb_coulomb.mod cp_dbcsr_cp2k_link.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod cp_log_handling.mod particle_methods.mod virial_methods.mod cp_dbcsr_output.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_matrices.F qs_dftb_matrices.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_matrices.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_matrices.F:419:19: 419 | IF (use_virial) THEN | ^ Warning: ‘use_virial’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dftb_matrices.mod' due to: qs_dftb_matrices.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_matrices.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod block_p_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod qs_dftb_types.mod mulliken.mod efield_tb_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_dftb_coulomb.mod cp_dbcsr_cp2k_link.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod cp_log_handling.mod particle_methods.mod virial_methods.mod cp_dbcsr_output.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_neighbor_lists.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_lists.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod paw_proj_set_types.mod cp_para_types.mod kpoint_types.mod molecule_types.mod qs_dispersion_types.mod qs_kind_types.mod qs_gcp_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod qs_dftb_types.mod input_section_types.mod distribution_1d_types.mod external_potential_types.mod qs_environment_types.mod distribution_2d_types.mod subcell_types.mod basis_set_types.mod almo_scf_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod ewald_environment_types.mod input_constants.mod base_hooks.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod string_utilities.mod cp_log_handling.mod cp_units.mod util.mod periodic_table.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_lists.F qs_neighbor_lists.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_neighbor_lists.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_lists.F:1326:43: 1326 | IF (mol_a /= mol_b) CYCLE | ^ Warning: ‘mol_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_lists.F:1158:53: 1158 | CPABORT("") | ^ Warning: ‘otype’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_neighbor_lists.mod' due to: qs_neighbor_lists.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_neighbor_lists.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod paw_proj_set_types.mod cp_para_types.mod kpoint_types.mod molecule_types.mod qs_dispersion_types.mod qs_kind_types.mod qs_gcp_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod qs_dftb_types.mod input_section_types.mod distribution_1d_types.mod external_potential_types.mod qs_environment_types.mod distribution_2d_types.mod subcell_types.mod basis_set_types.mod almo_scf_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod ewald_environment_types.mod input_constants.mod base_hooks.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod string_utilities.mod cp_log_handling.mod cp_units.mod util.mod periodic_table.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod fist_environment_types.mod input_section_types.mod cell_types.mod particle_types.mod force_env_types.mod qmmm_types.mod qs_environment_types.mod qs_energy_types.mod cp_subsys_types.mod input_constants.mod particle_methods.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_util.F qmmm_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_util.mod' due to: qmmm_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod fist_environment_types.mod input_section_types.mod cell_types.mod particle_types.mod force_env_types.mod qmmm_types.mod qs_environment_types.mod qs_energy_types.mod cp_subsys_types.mod input_constants.mod particle_methods.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_tb_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod qmmm_types_low.mod qs_ks_types.mod qs_ks_qmmm_types.mod xtb_types.mod input_section_types.mod ewald_pw_types.mod qs_environment_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod ewald_environment_types.mod qs_dftb_types.mod input_constants.mod mulliken.mod cp_dbcsr_operations.mod spme.mod base_hooks.mod qs_dftb_coulomb.mod message_passing.mod qs_dftb_matrices.mod qs_dftb_utils.mod qs_overlap.mod kinds.mod qs_neighbor_lists.mod qmmm_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F qmmm_tb_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_tb_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:1395:37: 1395 | force_ab = -fsr*rij/dr | ^ Warning: ‘fsr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:895:13: 895 | IF (do_dftb) THEN | ^ Warning: ‘do_dftb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:897:17: 897 | ELSEIF (do_xtb) THEN | ^ Warning: ‘do_xtb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:652:13: 652 | IF (do_dftb) THEN | ^ Warning: ‘do_dftb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:654:17: 654 | ELSEIF (do_xtb) THEN | ^ Warning: ‘do_xtb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:377:10: 377 | IF (do_dftb) THEN | ^ Warning: ‘do_dftb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:379:14: 379 | ELSEIF (do_xtb) THEN | ^ Warning: ‘do_xtb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:277:10: 277 | IF (do_dftb) THEN | ^ Warning: ‘do_dftb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:279:14: 279 | ELSEIF (do_xtb) THEN | ^ Warning: ‘do_xtb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:161:10: 161 | IF (do_dftb) THEN | ^ Warning: ‘do_dftb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F:163:14: 163 | ELSEIF (do_xtb) THEN | ^ Warning: ‘do_xtb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_tb_methods.mod' due to: qmmm_tb_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_tb_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod qmmm_types_low.mod qs_ks_types.mod qs_ks_qmmm_types.mod xtb_types.mod input_section_types.mod ewald_pw_types.mod qs_environment_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod ewald_environment_types.mod qs_dftb_types.mod input_constants.mod mulliken.mod cp_dbcsr_operations.mod spme.mod base_hooks.mod qs_dftb_coulomb.mod message_passing.mod qs_dftb_matrices.mod qs_dftb_utils.mod qs_overlap.mod kinds.mod qs_neighbor_lists.mod qmmm_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mm_collocate_potential.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mm_collocate_potential.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod pw_types.mod kinds.mod base_hooks.mod cube_utils.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mm_collocate_potential.F mm_collocate_potential.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:48:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mm_collocate_potential.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mm_collocate_potential.mod' due to: mm_collocate_potential.o /build/cp2k-6PcaEs/cp2k-8.1/src/mm_collocate_potential.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod pw_types.mod kinds.mod base_hooks.mod cube_utils.mod ao_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_int3_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int3_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod input_constants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int3_utils.F semi_empirical_int3_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int3_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int3_utils.F:118:32: 118 | add = (pij + pkl)**2 | ^ Warning: ‘pkl’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int3_utils.F:118:32: Warning: ‘pij’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_int3_utils.mod' due to: semi_empirical_int3_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int3_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod input_constants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod input_constants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod semi_empirical_int3_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1214:38: 1214 | add = (pij + pkl)**2 | ^ Warning: ‘pkl’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1214:38: Warning: ‘pij’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:314:38: 314 | add = (pij + pkl)**2 | ^ Warning: ‘pkl’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:314:38: Warning: ‘pij’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:841:24: 841 | fact = fact*0.5_dp | ^ Warning: ‘fact’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:875:37: 875 | IF (l1 == 0 .AND. l2 == 2 .AND. (m2 == CLMyy .OR. m2 == CLMxx)) THEN | ^ Warning: ‘m2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:940:37: 940 | IF (l1 == 2 .AND. l2 == 2 .AND. (((m1 == CLMyy) .AND. (m2 == CLMyy)) .OR. ((m1 == CLMxx) .AND. (m2 == CLMxx)))) THEN | ^ Warning: ‘m1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:843:23: 843 | IF (l1 == 0 .AND. l2 == 0) THEN | ^ Warning: ‘l2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:849:37: 849 | IF (l1 == 0 .AND. l2 == 1 .AND. m2 == CLMz) THEN | ^ Warning: ‘l1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:920:23: 920 | db = db/2.0_dp | ^ Warning: ‘db’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:923:109: 923 | + add0/SQRT((r - db)**2 + (da + db)**2 + add)**3 - add0/SQRT((r + db)**2 + (da + db)**2 + add)**3 | ^ Warning: ‘da’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:670:37: 670 | IF (l1 == 0 .AND. l2 == 2 .AND. (m2 == CLMyy .OR. m2 == CLMxx)) THEN | ^ Warning: ‘m2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:735:37: 735 | IF (l1 == 2 .AND. l2 == 2 .AND. (((m1 == CLMyy) .AND. (m2 == CLMyy)) .OR. ((m1 == CLMxx) .AND. (m2 == CLMxx)))) THEN | ^ Warning: ‘m1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:638:23: 638 | IF (l1 == 0 .AND. l2 == 0) THEN | ^ Warning: ‘l2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:644:37: 644 | IF (l1 == 0 .AND. l2 == 1 .AND. m2 == CLMz) THEN | ^ Warning: ‘l1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:640:28: 640 | charg = -charg*fact | ^ Warning: ‘fact’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:715:23: 715 | db = db/2.0_dp | ^ Warning: ‘db’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:718:117: 718 | + (r - db)/SQRT((r - db)**2 + (da + db)**2 + add)**3 - (r + db)/SQRT((r + db)**2 + (da + db)**2 + add)**3 | ^ Warning: ‘da’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:467:37: 467 | IF (l1 == 0 .AND. l2 == 2 .AND. (m2 == CLMyy .OR. m2 == CLMxx)) THEN | ^ Warning: ‘m2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:533:37: 533 | IF (l1 == 2 .AND. l2 == 2 .AND. (((m1 == CLMyy) .AND. (m2 == CLMyy)) .OR. ((m1 == CLMxx) .AND. (m2 == CLMxx)))) THEN | ^ Warning: ‘m1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:436:23: 436 | IF (l1 == 0 .AND. l2 == 0) THEN | ^ Warning: ‘l2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:441:37: 441 | IF (l1 == 0 .AND. l2 == 1 .AND. m2 == CLMz) THEN | ^ Warning: ‘l1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:443:34: 443 | charg = charg*0.5_dp*fact | ^ Warning: ‘fact’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:513:23: 513 | db = db/2.0_dp | ^ Warning: ‘db’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:516:107: 516 | + 1.0_dp/SQRT((r - db)**2 + (da + db)**2 + add) - 1.0_dp/SQRT((r + db)**2 + (da + db)**2 + add) | ^ Warning: ‘da’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1958:60: 1958 | d_d(:, 1, 5) = pt5sq3*(s2a_d*sb2 + s2a*sb2_d) | ^ Warning: ‘sb2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1959:60: 1959 | d_d(:, 2, 5) = 0.5_dp*(s2a_d*s2b + s2a*s2b_d) | ^ Warning: ‘s2b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1961:83: 1961 | d_d(:, 4, 5) = s2a_d*(cb2 + 0.5_dp*sb2) + s2a*(cb2_d + 0.5_dp*sb2_d) | ^ Warning: ‘s2a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1941:83: 1941 | d_d(:, 4, 1) = c2a_d*(cb2 + 0.5_dp*sb2) + c2a*(cb2_d + 0.5_dp*sb2_d) | ^ Warning: ‘cb2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1954:49: 1954 | d_d(:, 2, 4) = sa_d*c2b + sa*c2b_d | ^ Warning: ‘c2b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1941:83: 1941 | d_d(:, 4, 1) = c2a_d*(cb2 + 0.5_dp*sb2) + c2a*(cb2_d + 0.5_dp*sb2_d) | ^ Warning: ‘c2a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1911:37: 1911 | r_d = (/x11, x22, x33/)/r | ^ Warning: ‘x33’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1700:80: 1700 | sqb, sqb2i, x11, x22, x33 | ^ Warning: ‘x22’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1700:75: 1700 | sqb, sqb2i, x11, x22, x33 | ^ Warning: ‘x11’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F:1919:42: 1919 | sb_d = (sqb_d*r - sqb*r_d)*r2i | ^ Warning: ‘sqb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_utils.mod' due to: semi_empirical_int_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod input_constants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod semi_empirical_int3_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_num.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_num.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_args.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 multipole_types.mod taper_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_int_utils.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_num.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_num.mod' due to: semi_empirical_int_num.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_num.F /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_args.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 multipole_types.mod taper_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_int_utils.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_ana.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_ana.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_args.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 multipole_types.mod taper_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_int_utils.mod kinds.mod base_hooks.mod semi_empirical_int_num.mod semi_empirical_int_arrays.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_ana.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_ana.F:522:93: 522 | dscale = dscale + dzz*fnj1(ig)*EXP(-ax) - dax*zz*fnj1(ig)*EXP(-ax) | ^ Warning: ‘dzz’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_ana.F:422:73: 422 | dscale = SIGN(1.0_dp, scale*tmp)*(dscale*tmp + scale*dtmp) | ^ Warning: ‘dtmp’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_ana.F:216:57: 216 | tmp_d(3, m) = dcore(1, n)*drij(3) | ^ Warning: ‘drij[2]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_ana.F:215:57: 215 | tmp_d(2, m) = dcore(1, n)*drij(2) | ^ Warning: ‘drij[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_ana.F:214:57: 214 | tmp_d(1, m) = dcore(1, n)*drij(1) | ^ Warning: ‘drij[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_ana.mod' due to: semi_empirical_int_ana.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_ana.F /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_args.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_debug.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 multipole_types.mod taper_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_int_utils.mod kinds.mod base_hooks.mod semi_empirical_int_num.mod semi_empirical_int_arrays.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_gks.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_gks.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_mpole_types.mod dg_rho0_types.mod multipole_types.mod pw_grid_types.mod pw_pool_types.mod dg_types.mod semi_empirical_types.mod mathconstants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_gks.F semi_empirical_int_gks.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_gks.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_int_gks.mod' due to: semi_empirical_int_gks.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_gks.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_mpole_types.mod dg_rho0_types.mod multipole_types.mod pw_grid_types.mod pw_pool_types.mod dg_types.mod semi_empirical_types.mod mathconstants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_integrals.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod semi_empirical_int_ana.mod input_constants.mod memory_utilities.mod semi_empirical_int_gks.mod kinds.mod semi_empirical_int_num.mod base_hooks.mod hfx_compression_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_integrals.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_integrals.mod' due to: semi_empirical_integrals.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod semi_empirical_int_ana.mod input_constants.mod memory_utilities.mod semi_empirical_int_gks.mod kinds.mod semi_empirical_int_num.mod base_hooks.mod hfx_compression_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_se_energy.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_se_energy.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qmmm_types_low.mod qs_ks_types.mod qs_ks_qmmm_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod multipole_types.mod atomic_kind_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_integrals.mod cp_dbcsr_operations.mod base_hooks.mod semi_empirical_int_arrays.mod message_passing.mod cp_output_handling.mod qs_overlap.mod kinds.mod qs_neighbor_lists.mod cp_log_handling.mod semi_empirical_utils.mod cp_dbcsr_output.mod qmmm_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_se_energy.F qmmm_se_energy.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_se_energy.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_se_energy.mod' due to: qmmm_se_energy.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_se_energy.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qmmm_types_low.mod qs_ks_types.mod qs_ks_qmmm_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod multipole_types.mod atomic_kind_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_integrals.mod cp_dbcsr_operations.mod base_hooks.mod semi_empirical_int_arrays.mod message_passing.mod cp_output_handling.mod qs_overlap.mod kinds.mod qs_neighbor_lists.mod cp_log_handling.mod semi_empirical_utils.mod cp_dbcsr_output.mod qmmm_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_gpw_energy.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gpw_energy.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qmmm_types_low.mod qs_ks_qmmm_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod qmmm_gaussian_types.mod input_constants.mod base_hooks.mod pw_methods.mod cp_spline_utils.mod qmmm_tb_methods.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod cp_realspace_grid_cube.mod qmmm_util.mod cube_utils.mod mm_collocate_potential.mod qmmm_se_energy.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gpw_energy.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_gpw_energy.mod' due to: qmmm_gpw_energy.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gpw_energy.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qmmm_types_low.mod qs_ks_qmmm_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod qmmm_gaussian_types.mod input_constants.mod base_hooks.mod pw_methods.mod cp_spline_utils.mod qmmm_tb_methods.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod cp_realspace_grid_cube.mod qmmm_util.mod cube_utils.mod mm_collocate_potential.mod qmmm_se_energy.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_se_forces.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_se_forces.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qmmm_types_low.mod qs_ks_qmmm_types.mod qs_environment_types.mod multipole_types.mod atomic_kind_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_integrals.mod base_hooks.mod semi_empirical_int_arrays.mod message_passing.mod kinds.mod semi_empirical_utils.mod qmmm_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_se_forces.F qmmm_se_forces.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_se_forces.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_se_forces.F:209:17: 209 | CPASSERT(iqm == number_qm_atoms) | ^ Warning: ‘iqm’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_se_forces.mod' due to: qmmm_se_forces.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_se_forces.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qmmm_types_low.mod qs_ks_qmmm_types.mod qs_environment_types.mod multipole_types.mod atomic_kind_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_integrals.mod base_hooks.mod semi_empirical_int_arrays.mod message_passing.mod kinds.mod semi_empirical_utils.mod qmmm_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_gpw_forces.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gpw_forces.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qmmm_types_low.mod qs_ks_qmmm_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qmmm_gaussian_types.mod input_constants.mod base_hooks.mod pw_methods.mod cp_spline_utils.mod qmmm_tb_methods.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod qmmm_gpw_energy.mod qmmm_se_forces.mod qmmm_util.mod cube_utils.mod mm_collocate_potential.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gpw_forces.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: 484 | tmp = rho%cr3d(lb(1), :, :) | ^ Warning: ‘tmp.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: Warning: ‘tmp.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: Warning: ‘tmp.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gpw_forces.F:484:36: 484 | tmp = rho%cr3d(lb(1), :, :) | ^ Warning: ‘tmp.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_gpw_forces.mod' due to: qmmm_gpw_forces.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gpw_forces.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qmmm_types_low.mod qs_ks_qmmm_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qmmm_gaussian_types.mod input_constants.mod base_hooks.mod pw_methods.mod cp_spline_utils.mod qmmm_tb_methods.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod qmmm_gpw_energy.mod qmmm_se_forces.mod qmmm_util.mod cube_utils.mod mm_collocate_potential.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ks_qmmm_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_qmmm_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_env_types.mod cp_control_types.mod qmmm_types_low.mod pw_types.mod qs_ks_qmmm_types.mod qs_environment_types.mod pw_pool_types.mod input_constants.mod cp_output_handling.mod kinds.mod cube_utils.mod base_hooks.mod pw_methods.mod d3_poly.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_qmmm_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ks_qmmm_methods.mod' due to: qs_ks_qmmm_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_qmmm_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_env_types.mod cp_control_types.mod qmmm_types_low.mod pw_types.mod qs_ks_qmmm_types.mod qs_environment_types.mod pw_pool_types.mod input_constants.mod cp_output_handling.mod kinds.mod cube_utils.mod base_hooks.mod pw_methods.mod d3_poly.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'basis_set_output.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/basis_set_output.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod cp2k_info.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/basis_set_output.F basis_set_output.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' basis_set_output.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'basis_set_output.mod' due to: basis_set_output.o /build/cp2k-6PcaEs/cp2k-8.1/src/basis_set_output.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod cp2k_info.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'moments_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/moments_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod fist_environment_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod input_constants.mod message_passing.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/moments_utils.F moments_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' moments_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'moments_utils.mod' due to: moments_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/moments_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod fist_environment_types.mod particle_types.mod cell_types.mod distribution_1d_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod input_constants.mod message_passing.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_loc_dipole.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_dipole.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod cp_control_types.mod qs_environment_types.mod atomic_kind_types.mod qs_loc_types.mod cp_result_types.mod moments_utils.mod cp_output_handling.mod mathconstants.mod cp_result_methods.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_dipole.F qs_loc_dipole.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_dipole.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_loc_dipole.mod' due to: qs_loc_dipole.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_dipole.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod cp_control_types.mod qs_environment_types.mod atomic_kind_types.mod qs_loc_types.mod cp_result_types.mod moments_utils.mod cp_output_handling.mod mathconstants.mod cp_result_methods.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_external_control.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_external_control.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 global_types.mod machine.mod message_passing.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_external_control.F cp_external_control.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_external_control.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/cp_external_control.F:208:53: 208 | time_check = m_walltime() - my_start_time | ^ Warning: ‘my_start_time’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_external_control.mod' due to: cp_external_control.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_external_control.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 global_types.mod machine.mod message_passing.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'matrix_exp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/matrix_exp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod message_passing.mod cp_cfm_basic_linalg.mod mathconstants.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/matrix_exp.F matrix_exp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' matrix_exp.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/matrix_exp.F:518:89: 518 | Npq%local_data(:, k) = Npq%local_data(:, k) + scaleN*Tres%local_data(:, k) | ^ Warning: ‘REALPART_EXPR ’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'matrix_exp.mod' due to: matrix_exp.o /build/cp2k-6PcaEs/cp2k-8.1/src/matrix_exp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod message_passing.mod cp_cfm_basic_linalg.mod mathconstants.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_localization_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_localization_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cell_types.mod cp_fm_types.mod cp_cfm_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_external_control.mod cp_fm_struct.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod cp_cfm_diag.mod mathconstants.mod cp_gemm_interface.mod matrix_exp.mod cp_fm_diag.mod cp_cfm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_localization_methods.F qs_localization_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:49:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_localization_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_localization_methods.F:1802:71: 1802 | ii = nblock_max*ip_has_i + i - ns_bound(ip_has_i, 1) + 1 | ^ Warning: ‘ip_has_i’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_localization_methods.F:1374:64: 1374 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send, & | ^ Warning: ‘gmat.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_localization_methods.F:1374:64: Warning: ‘gmat.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_localization_methods.mod' due to: qs_localization_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_localization_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cell_types.mod cp_fm_types.mod cp_cfm_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_external_control.mod cp_fm_struct.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod cp_cfm_diag.mod mathconstants.mod cp_gemm_interface.mod matrix_exp.mod cp_fm_diag.mod cp_cfm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_loc_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod block_p_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod qs_neighbor_list_types.mod input_constants.mod orbital_pointers.mod cp_dbcsr_operations.mod qs_localization_methods.mod base_hooks.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod cp_array_utils.mod kinds.mod ai_moments.mod cp_fm_basic_linalg.mod cp_log_handling.mod memory_utilities.mod mathconstants.mod cp_gemm_interface.mod qs_mo_methods.mod cp_files.mod cp_fm_diag.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_utils.F qs_loc_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:50:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_utils.F:819:13: 819 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_utils.F:539:25: 539 | IF (ABS(occ_imo - my_occ) > localized_wfn_control%eps_occ) THEN | ^ Warning: ‘my_occ’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_loc_utils.mod' due to: qs_loc_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod block_p_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod qs_neighbor_list_types.mod input_constants.mod orbital_pointers.mod cp_dbcsr_operations.mod qs_localization_methods.mod base_hooks.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod cp_array_utils.mod kinds.mod ai_moments.mod cp_fm_basic_linalg.mod cp_log_handling.mod memory_utilities.mod mathconstants.mod cp_gemm_interface.mod qs_mo_methods.mod cp_files.mod cp_fm_diag.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'commutator_rpnl.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod sap_kind_types.mod external_potential_types.mod block_p_types.mod basis_set_types.mod orbital_pointers.mod ai_overlap.mod kinds.mod base_hooks.mod ai_moments.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F commutator_rpnl.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:50:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' commutator_rpnl.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:645:72: 645 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 | ^ Warning: ‘natom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:443:81: 443 | kbc, kkind, na, natom, nb, nkind, np, & | ^ note: ‘natom’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:276:91: 276 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab) | ^ Warning: ‘cprj.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:64: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ note: ‘cprj.dim[1].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:276:91: 276 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab) | ^ Warning: ‘cprj.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:64: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ note: ‘cprj.dim[0].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:276:91: 276 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab) | ^ Warning: ‘cprj.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:64: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ note: ‘cprj.dim[0].lbound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:276:91: 276 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab) | ^ Warning: ‘cprj.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:64: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ note: ‘cprj.dim[0].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:276:91: 276 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab) | ^ Warning: ‘cprj.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:64: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ note: ‘cprj.span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:276:91: 276 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab) | ^ Warning: ‘cprj.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:64: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ note: ‘cprj.offset’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:276:91: 276 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab) | ^ Warning: ‘cprj.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:64: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ note: ‘cprj.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:97:70: 97 | REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a | ^ Warning: ‘alpha_ppnl.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:97:70: Warning: ‘alpha_ppnl.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:97:70: Warning: ‘alpha_ppnl.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:97:70: Warning: ‘alpha_ppnl.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:89:92: 89 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, & | ^ Warning: ‘nprj_ppnl.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:89:92: Warning: ‘nprj_ppnl.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:89:92: Warning: ‘nprj_ppnl.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:89:92: Warning: ‘nprj_ppnl.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:90: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ Warning: ‘vprj_ppnl.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:286:106: 286 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa) | ^ Warning: ‘vprj_ppnl.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:90: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ note: ‘vprj_ppnl.dim[0].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:286:106: 286 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa) | ^ Warning: ‘vprj_ppnl.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:90: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ note: ‘vprj_ppnl.dim[0].lbound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:90: Warning: ‘vprj_ppnl.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:90: Warning: ‘vprj_ppnl.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:90: Warning: ‘vprj_ppnl.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:286:106: 286 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa) | ^ Warning: ‘vprj_ppnl.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:98:90: 98 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^ note: ‘vprj_ppnl.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:263:22: 263 | IF (set_radius_a(iset) + rprjc(1) < dac) CYCLE | ^ Warning: ‘ppnl_radius’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F:93:76: 93 | REAL(KIND=dp) :: dac, ppnl_radius | ^ note: ‘ppnl_radius’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'commutator_rpnl.mod' due to: commutator_rpnl.o /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rpnl.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod sap_kind_types.mod external_potential_types.mod block_p_types.mod basis_set_types.mod orbital_pointers.mod ai_overlap.mod kinds.mod base_hooks.mod ai_moments.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_angmom.mod' due to: ai_angmom.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_operators_ao.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_para_types.mod block_p_types.mod basis_set_types.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod ai_moments.mod ai_os_rr.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F qs_operators_ao.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:50:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_operators_ao.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:1477:13: 1477 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:1472:63: 1472 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE | ^ Warning: ‘lzo2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:1472:63: Warning: ‘lyo2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:1472:63: Warning: ‘lxo2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:1195:13: 1195 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:1190:63: 1190 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE | ^ Warning: ‘lzo2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:1190:63: Warning: ‘lyo2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:1190:63: Warning: ‘lxo2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:919:13: 919 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:916:63: 916 | IF (ABS(rab(1)) > Lxo2 .OR. ABS(rab(2)) > Lyo2 .OR. ABS(rab(3)) > Lzo2) CYCLE | ^ Warning: ‘lzo2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:916:63: Warning: ‘lyo2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:916:63: Warning: ‘lxo2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:534:13: 534 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F:180:13: 180 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_operators_ao.mod' due to: qs_operators_ao.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_operators_ao.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_para_types.mod block_p_types.mod basis_set_types.mod orbital_pointers.mod mathconstants.mod kinds.mod base_hooks.mod ai_moments.mod ai_os_rr.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_moments.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_moments.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod block_p_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod distribution_1d_types.mod qs_environment_types.mod qs_mo_types.mod cp_result_types.mod basis_set_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod atomic_kind_types.mod orbital_pointers.mod cp_dbcsr_operations.mod commutator_rpnl.mod cp_result_methods.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod moments_utils.mod kinds.mod ai_moments.mod ai_angmom.mod particle_methods.mod mathconstants.mod cp_gemm_interface.mod cp_cfm_basic_linalg.mod qs_operators_ao.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_moments.F qs_moments.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:50:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_moments.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_moments.F:493:13: 493 | IF (jatom == last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_moments.F:232:13: 232 | IF (jatom == last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_moments.F:755:13: 755 | IF (jatom == last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_moments.F:643:97: 643 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & | ^ note: ‘last_jatom’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_moments.F:2085:10: 2085 | IF (my_com_nl) THEN | ^ Warning: ‘my_com_nl’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_moments.mod' due to: qs_moments.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_moments.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod block_p_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod distribution_1d_types.mod qs_environment_types.mod qs_mo_types.mod cp_result_types.mod basis_set_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod atomic_kind_types.mod orbital_pointers.mod cp_dbcsr_operations.mod commutator_rpnl.mod cp_result_methods.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod moments_utils.mod kinds.mod ai_moments.mod ai_angmom.mod particle_methods.mod mathconstants.mod cp_gemm_interface.mod cp_cfm_basic_linalg.mod qs_operators_ao.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'molecular_moments.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/molecular_moments.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_loc_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod molecule_kind_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod moments_utils.mod message_passing.mod cp_output_handling.mod kinds.mod qs_moments.mod cp_fm_basic_linalg.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/molecular_moments.F molecular_moments.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecular_moments.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'molecular_moments.mod' due to: molecular_moments.o /build/cp2k-6PcaEs/cp2k-8.1/src/molecular_moments.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_loc_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod molecule_kind_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod moments_utils.mod message_passing.mod cp_output_handling.mod kinds.mod qs_moments.mod cp_fm_basic_linalg.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_loc_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_fm_pool_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod qs_localization_methods.mod base_hooks.mod cp_fm_struct.mod cp_output_handling.mod kinds.mod motion_utils.mod string_utilities.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod cp_units.mod memory_utilities.mod particle_methods.mod qs_collocate_density.mod mathconstants.mod qs_loc_utils.mod cp_gemm_interface.mod cp_realspace_grid_cube.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_methods.F qs_loc_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_loc_methods.mod' due to: qs_loc_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_fm_pool_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod qs_localization_methods.mod base_hooks.mod cp_fm_struct.mod cp_output_handling.mod kinds.mod motion_utils.mod string_utilities.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod cp_units.mod memory_utilities.mod particle_methods.mod qs_collocate_density.mod mathconstants.mod qs_loc_utils.mod cp_gemm_interface.mod cp_realspace_grid_cube.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_loc_molecules.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_molecules.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod cp_para_types.mod molecule_kind_types.mod qs_loc_types.mod molecule_types.mod message_passing.mod memory_utilities.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_molecules.F qs_loc_molecules.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_molecules.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_molecules.F:172:60: 172 | i = molecule_set(imol_now)%lmi(ispin)%nstates | ^ Warning: ‘imol_now’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_loc_molecules.mod' due to: qs_loc_molecules.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_molecules.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod cp_para_types.mod molecule_kind_types.mod qs_loc_types.mod molecule_types.mod message_passing.mod memory_utilities.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'molecular_dipoles.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/molecular_dipoles.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_loc_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod molecule_kind_types.mod atomic_kind_types.mod base_hooks.mod moments_utils.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod mathconstants.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/molecular_dipoles.F molecular_dipoles.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecular_dipoles.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'molecular_dipoles.mod' due to: molecular_dipoles.o /build/cp2k-6PcaEs/cp2k-8.1/src/molecular_dipoles.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_loc_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod molecule_kind_types.mod atomic_kind_types.mod base_hooks.mod moments_utils.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod mathconstants.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'molecular_states.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/molecular_states.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod atomic_kind_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod qs_collocate_density.mod cp_gemm_interface.mod cp_fm_diag.mod cp_realspace_grid_cube.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/molecular_states.F molecular_states.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molecular_states.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'molecular_states.mod' due to: molecular_states.o /build/cp2k-6PcaEs/cp2k-8.1/src/molecular_states.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod atomic_kind_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod qs_collocate_density.mod cp_gemm_interface.mod cp_fm_diag.mod cp_realspace_grid_cube.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'wannier_states.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/wannier_states.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod wannier_states_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_units.mod cp_output_handling.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/wannier_states.F wannier_states.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' wannier_states.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'wannier_states.mod' due to: wannier_states.o /build/cp2k-6PcaEs/cp2k-8.1/src/wannier_states.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod wannier_states_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_units.mod cp_output_handling.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_loc_states.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_states.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_loc_types.mod molecule_types.mod cp_control_types.mod wannier_states_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod molecular_moments.mod base_hooks.mod cp_output_handling.mod cp_array_utils.mod kinds.mod qs_loc_methods.mod cp_log_handling.mod qs_loc_molecules.mod molecular_dipoles.mod molecular_states.mod wannier_states.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_states.F qs_loc_states.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_loc_states.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_loc_states.mod' due to: qs_loc_states.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_loc_states.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_types.mod qs_loc_types.mod molecule_types.mod cp_control_types.mod wannier_states_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod molecular_moments.mod base_hooks.mod cp_output_handling.mod cp_array_utils.mod kinds.mod qs_loc_methods.mod cp_log_handling.mod qs_loc_molecules.mod molecular_dipoles.mod molecular_states.mod wannier_states.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'localization_tb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/localization_tb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod qs_loc_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod atomic_kind_types.mod base_hooks.mod qs_loc_dipole.mod cp_array_utils.mod kinds.mod cp_log_handling.mod qs_loc_utils.mod qs_loc_states.mod cp_fm_vect.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/localization_tb.F localization_tb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' localization_tb.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'localization_tb.mod' due to: localization_tb.o /build/cp2k-6PcaEs/cp2k-8.1/src/localization_tb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod qs_loc_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod atomic_kind_types.mod base_hooks.mod qs_loc_dipole.mod cp_array_utils.mod kinds.mod cp_log_handling.mod qs_loc_utils.mod qs_loc_states.mod cp_fm_vect.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lri_optimize_ri_basis_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/lri_optimize_ri_basis_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lri_optimize_ri_basis_types.mod' due to: lri_optimize_ri_basis_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/lri_optimize_ri_basis_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod base_hooks.mod mathconstants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'constants_operator.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/constants_operator.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/constants_operator.F constants_operator.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' constants_operator.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'constants_operator.mod' due to: constants_operator.o /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/constants_operator.F true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'construct_shg.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/construct_shg.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/construct_shg.F construct_shg.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' construct_shg.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'construct_shg.mod' due to: construct_shg.o /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/construct_shg.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod orbital_pointers.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 's_contract_shg.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/s_contract_shg.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod gamma.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/s_contract_shg.F s_contract_shg.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' s_contract_shg.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 's_contract_shg.mod' due to: s_contract_shg.o /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/s_contract_shg.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod gamma.mod mathconstants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'generic_shg_integrals.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/generic_shg_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_pointers.mod constants_operator.mod construct_shg.mod kinds.mod base_hooks.mod s_contract_shg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' generic_shg_integrals.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'generic_shg_integrals.mod' due to: generic_shg_integrals.o /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/generic_shg_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_pointers.mod constants_operator.mod construct_shg.mod kinds.mod base_hooks.mod s_contract_shg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'generic_shg_integrals_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_pointers.mod memory_utilities.mod mathconstants.mod kinds.mod base_hooks.mod spherical_harmonics.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' generic_shg_integrals_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'generic_shg_integrals_init.mod' due to: generic_shg_integrals_init.o /build/cp2k-6PcaEs/cp2k-8.1/src/shg_int/generic_shg_integrals_init.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod orbital_pointers.mod memory_utilities.mod mathconstants.mod kinds.mod base_hooks.mod spherical_harmonics.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lri_environment_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_init.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod lri_environment_types.mod cp_control_types.mod qs_environment_types.mod atomic_kind_types.mod basis_set_types.mod generic_shg_integrals.mod mathlib.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_init.F lri_environment_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_environment_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lri_environment_init.mod' due to: lri_environment_init.o /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_init.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod lri_environment_types.mod cp_control_types.mod qs_environment_types.mod atomic_kind_types.mod basis_set_types.mod generic_shg_integrals.mod mathlib.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod ao_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_contraction_sphi.mod' due to: ai_contraction_sphi.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_operator_ra2m.mod' due to: ai_operator_ra2m.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_overlap3_debug.mod' due to: ai_overlap3_debug.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_overlap3.mod' due to: ai_overlap3.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_overlap_aabb.mod' due to: ai_overlap_aabb.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'debug_os_integrals.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/debug_os_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 ai_overlap_debug.mod ai_overlap3_debug.mod orbital_pointers.mod ai_overlap.mod kinds.mod ai_overlap3.mod base_hooks.mod ai_overlap_aabb.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/debug_os_integrals.F debug_os_integrals.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' debug_os_integrals.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/debug_os_integrals.F:46:36: 46 | SUBROUTINE overlap_ab_test_simple() | ^ Warning: ‘overlap_ab_test_simple’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/debug_os_integrals.F:191:37: 191 | SUBROUTINE overlap_abc_test_simple() | ^ Warning: ‘overlap_abc_test_simple’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/debug_os_integrals.F:386:38: 386 | SUBROUTINE overlap_aabb_test_simple() | ^ Warning: ‘overlap_aabb_test_simple’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'debug_os_integrals.mod' due to: debug_os_integrals.o /build/cp2k-6PcaEs/cp2k-8.1/src/debug_os_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 ai_overlap_debug.mod ai_overlap3_debug.mod orbital_pointers.mod ai_overlap.mod kinds.mod ai_overlap3.mod base_hooks.mod ai_overlap_aabb.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_operators_r12.mod' due to: ai_operators_r12.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'generic_os_integrals.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/generic_os_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod ai_contraction_sphi.mod ai_operator_ra2m.mod orbital_pointers.mod ai_overlap.mod constants_operator.mod kinds.mod debug_os_integrals.mod base_hooks.mod ai_operators_r12.mod ai_overlap_aabb.mod ai_derivatives.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/generic_os_integrals.F generic_os_integrals.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:51:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' generic_os_integrals.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'generic_os_integrals.mod' due to: generic_os_integrals.o /build/cp2k-6PcaEs/cp2k-8.1/src/generic_os_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod ai_contraction_sphi.mod ai_operator_ra2m.mod orbital_pointers.mod ai_overlap.mod constants_operator.mod kinds.mod debug_os_integrals.mod base_hooks.mod ai_operators_r12.mod ai_overlap_aabb.mod ai_derivatives.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lri_compression.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/lri_compression.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 lri_environment_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/lri_compression.F lri_compression.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_compression.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lri_compression.mod' due to: lri_compression.o /build/cp2k-6PcaEs/cp2k-8.1/src/lri_compression.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 lri_environment_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lri_integrals.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/lri_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 lri_environment_types.mod basis_set_types.mod generic_shg_integrals.mod kinds.mod base_hooks.mod generic_os_integrals.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/lri_integrals.F lri_integrals.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_integrals.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lri_integrals.mod' due to: lri_integrals.o /build/cp2k-6PcaEs/cp2k-8.1/src/lri_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 lri_environment_types.mod basis_set_types.mod generic_shg_integrals.mod kinds.mod base_hooks.mod generic_os_integrals.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_overlap_ppl.mod' due to: ai_overlap_ppl.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'core_ppl.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppl.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod qs_neighbor_list_types.mod lri_environment_types.mod virial_types.mod external_potential_types.mod atomic_kind_types.mod qs_force_types.mod ai_overlap_ppl.mod orbital_pointers.mod kinds.mod base_hooks.mod virial_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppl.F core_ppl.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' core_ppl.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'core_ppl.mod' due to: core_ppl.o /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppl.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod qs_neighbor_list_types.mod lri_environment_types.mod virial_types.mod external_potential_types.mod atomic_kind_types.mod qs_force_types.mod ai_overlap_ppl.mod orbital_pointers.mod kinds.mod base_hooks.mod virial_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lri_environment_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod input_constants.mod lri_compression.mod base_hooks.mod message_passing.mod cp_output_handling.mod kinds.mod generic_os_integrals.mod cp_log_handling.mod mathlib.mod qs_collocate_density.mod lri_integrals.mod core_ppl.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_methods.F lri_environment_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_environment_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_methods.F:481:40: 481 | SUBROUTINE calculate_lri_overlap_aabb(lri_env, qs_env) | ^ Warning: ‘calculate_lri_overlap_aabb’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_methods.F:399:65: 399 | nspin | ^ Warning: ‘nspin’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lri_environment_methods.mod' due to: lri_environment_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/lri_environment_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod input_constants.mod lri_compression.mod base_hooks.mod message_passing.mod cp_output_handling.mod kinds.mod generic_os_integrals.mod cp_log_handling.mod mathlib.mod qs_collocate_density.mod lri_integrals.mod core_ppl.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lri_optimize_ri_basis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/lri_optimize_ri_basis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod cell_types.mod lri_optimize_ri_basis_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod powell.mod lri_environment_init.mod message_passing.mod cp_output_handling.mod kinds.mod generic_os_integrals.mod cp_log_handling.mod memory_utilities.mod lri_environment_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_optimize_ri_basis.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lri_optimize_ri_basis.mod' due to: lri_optimize_ri_basis.o /build/cp2k-6PcaEs/cp2k-8.1/src/lri_optimize_ri_basis.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod cell_types.mod lri_optimize_ri_basis_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod powell.mod lri_environment_init.mod message_passing.mod cp_output_handling.mod kinds.mod generic_os_integrals.mod cp_log_handling.mod memory_utilities.mod lri_environment_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'surface_dipole.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/surface_dipole.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod pw_env_types.mod cp_control_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod qs_environment_types.mod pw_grid_types.mod pw_pool_types.mod qs_energy_types.mod message_passing.mod mathconstants.mod kinds.mod kahan_sum.mod base_hooks.mod pw_methods.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/surface_dipole.F surface_dipole.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' surface_dipole.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'surface_dipole.mod' due to: surface_dipole.o /build/cp2k-6PcaEs/cp2k-8.1/src/surface_dipole.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod pw_env_types.mod cp_control_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod qs_environment_types.mod pw_grid_types.mod pw_pool_types.mod qs_energy_types.mod message_passing.mod mathconstants.mod kinds.mod kahan_sum.mod base_hooks.mod pw_methods.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_sccs.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_para_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_scf_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod particle_list_types.mod cp_subsys_types.mod realspace_grid_types.mod cp_realspace_grid_init.mod input_constants.mod base_hooks.mod pw_methods.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod cp_units.mod mathconstants.mod pw_poisson_methods.mod cp_realspace_grid_cube.mod kahan_sum.mod rs_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F qs_sccs.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_sccs.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:355:38: 355 | filename = mpi_filename | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:440:41: 440 | filename = mpi_filename | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:723:38: 723 | filename = mpi_filename | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:787:38: 787 | filename = mpi_filename | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:823:38: 823 | filename = mpi_filename | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:1228:81: 1228 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) | ^ Warning: ‘q’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:1206:73: 1206 | ln_rho_min, q, rho, t, x, y | ^ note: ‘q’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:1228:81: 1228 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) | ^ Warning: ‘ln_rho_max’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:1205:92: 1205 | REAL(KIND=dp) :: diff, e, eps_elec, f, ln_rho_max, & | ^ note: ‘ln_rho_max’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:972:63: 972 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) | ^ Warning: ‘q’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:951:61: 951 | q, rho, t, x, y | ^ note: ‘q’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:972:63: 972 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) | ^ Warning: ‘ln_rho_max’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:950:87: 950 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & | ^ note: ‘ln_rho_max’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:972:63: 972 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) | ^ Warning: ‘dq’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F:950:68: 950 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & | ^ note: ‘dq’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_sccs.mod' due to: qs_sccs.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_sccs.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_para_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_scf_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod particle_list_types.mod cp_subsys_types.mod realspace_grid_types.mod cp_realspace_grid_init.mod input_constants.mod base_hooks.mod pw_methods.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod cp_units.mod mathconstants.mod pw_poisson_methods.mod cp_realspace_grid_cube.mod kahan_sum.mod rs_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_core_energies.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_core_energies.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod qs_force_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod virial_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod atprop_types.mod qs_energy_types.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod virial_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_core_energies.F qs_core_energies.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_core_energies.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_core_energies.mod' due to: qs_core_energies.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_core_energies.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod qs_force_types.mod qs_neighbor_list_types.mod distribution_1d_types.mod virial_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod atprop_types.mod qs_energy_types.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod virial_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lri_forces.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/lri_forces.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod qs_neighbor_list_types.mod lri_environment_types.mod virial_types.mod qs_ks_types.mod qs_environment_types.mod atomic_kind_types.mod kpoint_types.mod qs_force_types.mod lri_integrals.mod kinds.mod base_hooks.mod virial_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/lri_forces.F lri_forces.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_forces.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lri_forces.mod' due to: lri_forces.o /build/cp2k-6PcaEs/cp2k-8.1/src/lri_forces.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod qs_neighbor_list_types.mod lri_environment_types.mod virial_types.mod qs_ks_types.mod qs_environment_types.mod atomic_kind_types.mod kpoint_types.mod qs_force_types.mod lri_integrals.mod kinds.mod base_hooks.mod virial_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_o3c_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_o3c_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod ai_contraction_sphi.mod orbital_pointers.mod kinds.mod ai_overlap3.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_o3c_methods.F qs_o3c_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_o3c_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_o3c_methods.mod' due to: qs_o3c_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_o3c_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 basis_set_types.mod qs_o3c_types.mod ai_contraction_sphi.mod orbital_pointers.mod kinds.mod ai_overlap3.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'submatrix_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/submatrix_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod util.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/submatrix_types.F submatrix_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' submatrix_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'submatrix_types.mod' due to: submatrix_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/submatrix_types.F util.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'submatrix_dissection.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/submatrix_dissection.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 submatrix_types.mod message_passing.mod kinds.mod bibliography.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/submatrix_dissection.F submatrix_dissection.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:52:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' submatrix_dissection.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'submatrix_dissection.mod' due to: submatrix_dissection.o /build/cp2k-6PcaEs/cp2k-8.1/src/submatrix_dissection.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 submatrix_types.mod message_passing.mod kinds.mod bibliography.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'arnoldi_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_types.F arnoldi_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:53:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' arnoldi_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'arnoldi_types.mod' due to: arnoldi_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_types.F kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dbcsr_vector.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/dbcsr_vector.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/hash_table.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/hash_table_types.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/dbcsr_vector.F dbcsr_vector.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:53:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dbcsr_vector.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/dbcsr_vector.F:503:41: 503 | SUBROUTINE dbcsr_matrixT_vector_mult_${nametype}$ (matrix, vec_in, vec_out, alpha, beta, work_row, work_col, skip_diag) | ^ Warning: ‘dbcsr_matrixt_vector_mult_s’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/dbcsr_vector.F:503:41: 503 | SUBROUTINE dbcsr_matrixT_vector_mult_${nametype}$ (matrix, vec_in, vec_out, alpha, beta, work_row, work_col, skip_diag) | ^ Warning: ‘dbcsr_matrixt_vector_mult_d’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/dbcsr_vector.F:503:41: 503 | SUBROUTINE dbcsr_matrixT_vector_mult_${nametype}$ (matrix, vec_in, vec_out, alpha, beta, work_row, work_col, skip_diag) | ^ Warning: ‘dbcsr_matrixt_vector_mult_c’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/dbcsr_vector.F:503:41: 503 | SUBROUTINE dbcsr_matrixT_vector_mult_${nametype}$ (matrix, vec_in, vec_out, alpha, beta, work_row, work_col, skip_diag) | ^ Warning: ‘dbcsr_matrixt_vector_mult_z’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dbcsr_vector.mod' due to: dbcsr_vector.o /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/dbcsr_vector.F /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/hash_table.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/dbcsrx/hash_table_types.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod message_passing.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'arnoldi_data_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_selection.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_manipulation.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod util.mod kinds.mod base_hooks.mod dbcsr_vector.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F arnoldi_data_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:53:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' arnoldi_data_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F:226:32: 226 | SUBROUTINE set_eval_selection(ar_data, itype) | ^ Warning: ‘set_eval_selection’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F:340:39: 340 | SUBROUTINE get_all_selected_ritz_val(ar_data, eval_out) | ^ Warning: ‘get_all_selected_ritz_val’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F:332:37: 332 | END FUNCTION get_selected_ritz_val | ^ Warning: ‘eval_out’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F:307:64: 307 | FUNCTION get_selected_ritz_val(ar_data, ind) RESULT(eval_out) | ^ note: ‘eval_out’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'arnoldi_data_methods.mod' due to: arnoldi_data_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_selection.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_data_manipulation.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod util.mod kinds.mod base_hooks.mod dbcsr_vector.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'arnoldi_geev.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_geev.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_geev.F arnoldi_geev.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:53:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' arnoldi_geev.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'arnoldi_geev.mod' due to: arnoldi_geev.o /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_geev.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'arnoldi_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod message_passing.mod kinds.mod base_hooks.mod dbcsr_vector.mod arnoldi_geev.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_methods.F arnoldi_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:53:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' arnoldi_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'arnoldi_methods.mod' due to: arnoldi_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod message_passing.mod kinds.mod base_hooks.mod dbcsr_vector.mod arnoldi_geev.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'arnoldi_api.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_api.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod message_passing.mod kinds.mod base_hooks.mod dbcsr_vector.mod arnoldi_data_methods.mod arnoldi_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_api.F arnoldi_api.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:53:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' arnoldi_api.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_api.F:493:13: 493 | IF (SQRT(rsnew) < control%threshold) control%converged = .TRUE. | ^ Warning: ‘rsnew’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_api.F:399:83: 399 | REAL(KIND=dp) :: alpha, beta, pap, rsnew, rsold | ^ note: ‘rsnew’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'arnoldi_api.mod' due to: arnoldi_api.o /build/cp2k-6PcaEs/cp2k-8.1/src/arnoldi/arnoldi_api.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 arnoldi_types.mod message_passing.mod kinds.mod base_hooks.mod dbcsr_vector.mod arnoldi_data_methods.mod arnoldi_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'iterate_matrix.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/iterate_matrix.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod mathlib.mod input_constants.mod message_passing.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod submatrix_dissection.mod arnoldi_api.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/iterate_matrix.F iterate_matrix.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:53:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' iterate_matrix.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/iterate_matrix.F:2128:32: 2128 | SUBROUTINE matrix_exponential(matrix_exp, matrix, omega, alpha, threshold) | ^ Warning: ‘matrix_exponential’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'iterate_matrix.mod' due to: iterate_matrix.o /build/cp2k-6PcaEs/cp2k-8.1/src/iterate_matrix.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod mathlib.mod input_constants.mod message_passing.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod submatrix_dissection.mod arnoldi_api.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ri_environment_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ri_environment_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_o3c_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod cp_control_types.mod qs_ks_types.mod qs_environment_types.mod lri_environment_types.mod atomic_kind_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod qs_o3c_methods.mod cp_dbcsr_cp2k_link.mod message_passing.mod qs_overlap.mod kinds.mod qs_collocate_density.mod cp_dbcsr_diag.mod iterate_matrix.mod util.mod arnoldi_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ri_environment_methods.F ri_environment_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:53:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ri_environment_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/ri_environment_methods.F:626:23: 626 | IF (symm .AND. (iatom /= jatom)) THEN | ^ Warning: ‘symm’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ri_environment_methods.mod' due to: ri_environment_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/ri_environment_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_o3c_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod cp_control_types.mod qs_ks_types.mod qs_environment_types.mod lri_environment_types.mod atomic_kind_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod qs_o3c_methods.mod cp_dbcsr_cp2k_link.mod message_passing.mod qs_overlap.mod kinds.mod qs_collocate_density.mod cp_dbcsr_diag.mod iterate_matrix.mod util.mod arnoldi_api.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'lri_ks_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/lri_ks_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_o3c_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod kinds.mod lri_compression.mod base_hooks.mod ri_environment_methods.mod qs_o3c_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/lri_ks_methods.F lri_ks_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:53:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' lri_ks_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'lri_ks_methods.mod' due to: lri_ks_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/lri_ks_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_o3c_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod kinds.mod lri_compression.mod base_hooks.mod ri_environment_methods.mod qs_o3c_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_ddapc_forces.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_forces.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod cp_control_types.mod pw_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod qs_force_types.mod input_constants.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod spherical_harmonics.mod pw_spline_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_forces.F cp_ddapc_forces.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_ddapc_forces.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_ddapc_forces.mod' due to: cp_ddapc_forces.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_forces.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod cp_control_types.mod pw_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod qs_force_types.mod input_constants.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod spherical_harmonics.mod pw_spline_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_ddapc_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod cp_ddapc_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_charges_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod input_constants.mod base_hooks.mod cp_ddapc_forces.mod pw_methods.mod message_passing.mod cp_output_handling.mod kinds.mod cp_ddapc_methods.mod cp_log_handling.mod atomic_charges.mod mathconstants.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_util.F cp_ddapc_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_ddapc_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_ddapc_util.mod' due to: cp_ddapc_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod cp_ddapc_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_charges_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod input_constants.mod base_hooks.mod cp_ddapc_forces.mod pw_methods.mod message_passing.mod cp_output_handling.mod kinds.mod cp_ddapc_methods.mod cp_log_handling.mod atomic_charges.mod mathconstants.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_integrate_potential_product.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integrate_potential_product.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod pw_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_force_types.mod task_list_types.mod qs_environment_types.mod realspace_grid_types.mod atomic_kind_types.mod admm_types.mod input_constants.mod base_hooks.mod grid_api.mod task_list_methods.mod kinds.mod rs_pw_interface.mod cube_utils.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integrate_potential_product.F qs_integrate_potential_product.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_integrate_potential_product.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_integrate_potential_product.mod' due to: qs_integrate_potential_product.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integrate_potential_product.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod pw_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_force_types.mod task_list_types.mod qs_environment_types.mod realspace_grid_types.mod atomic_kind_types.mod admm_types.mod input_constants.mod base_hooks.mod grid_api.mod task_list_methods.mod kinds.mod rs_pw_interface.mod cube_utils.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_integrate_potential.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integrate_potential.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod grid_api.mod qs_integrate_potential_product.mod qs_integrate_potential_single.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integrate_potential.F qs_integrate_potential.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_integrate_potential.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_integrate_potential.mod' due to: qs_integrate_potential.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_integrate_potential.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod grid_api.mod qs_integrate_potential_product.mod qs_integrate_potential_single.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_ddapc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cell_types.mod cp_control_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod input_constants.mod base_hooks.mod cp_ddapc_forces.mod pw_methods.mod cp_output_handling.mod bibliography.mod cp_ddapc_util.mod kinds.mod cp_log_handling.mod qs_integrate_potential.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc.F cp_ddapc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_ddapc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_ddapc.mod' due to: cp_ddapc.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_ddapc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cell_types.mod cp_control_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod input_constants.mod base_hooks.mod cp_ddapc_forces.mod pw_methods.mod cp_output_handling.mod bibliography.mod cp_ddapc_util.mod kinds.mod cp_log_handling.mod qs_integrate_potential.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ks_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod kpoint_types.mod pw_grid_types.mod qs_cdft_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod qs_charges_types.mod pw_pool_types.mod cp_fm_types.mod qs_force_types.mod task_list_types.mod input_section_types.mod ps_implicit_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod lri_environment_types.mod atomic_kind_types.mod admm_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod lri_forces.mod pw_methods.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod kinds.mod lri_ks_methods.mod qs_ks_qmmm_methods.mod cp_log_handling.mod cp_ddapc.mod qs_collocate_density.mod pw_poisson_methods.mod xc.mod qs_integrate_potential.mod lri_environment_methods.mod kahan_sum.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_utils.F qs_ks_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_utils.F:1344:77: 1344 | cdft_control%strength(igroup) | ^ Warning: ‘sign’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_utils.F:801:57: 801 | energy%hartree = energy%hartree + full_scaling*ener | ^ Warning: ‘full_scaling’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_utils.F:797:56: 797 | full_scaling = -dft_control%sic_scaling_a*nelec | ^ Warning: ‘nelec’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ks_utils.mod' due to: qs_ks_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod kpoint_types.mod pw_grid_types.mod qs_cdft_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod qs_charges_types.mod pw_pool_types.mod cp_fm_types.mod qs_force_types.mod task_list_types.mod input_section_types.mod ps_implicit_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod lri_environment_types.mod atomic_kind_types.mod admm_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod lri_forces.mod pw_methods.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod kinds.mod lri_ks_methods.mod qs_ks_qmmm_methods.mod cp_log_handling.mod cp_ddapc.mod qs_collocate_density.mod pw_poisson_methods.mod xc.mod qs_integrate_potential.mod lri_environment_methods.mod kahan_sum.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'admm_dm_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/admm_dm_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_ks_types.mod pw_types.mod qs_rho_types.mod task_list_types.mod admm_dm_types.mod input_constants.mod qs_collocate_density.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod iterate_matrix.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/admm_dm_methods.F admm_dm_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' admm_dm_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'admm_dm_methods.mod' due to: admm_dm_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/admm_dm_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_ks_types.mod pw_types.mod qs_rho_types.mod task_list_types.mod admm_dm_types.mod input_constants.mod qs_collocate_density.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod iterate_matrix.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_oce_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_oce_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod qs_neighbor_list_types.mod sap_kind_types.mod paw_proj_set_types.mod block_p_types.mod basis_set_types.mod orbital_transformation_matrices.mod orbital_pointers.mod ai_overlap.mod mathconstants.mod kinds.mod base_hooks.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_oce_methods.F qs_oce_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_oce_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_oce_methods.F:84:58: 84 | maxder, maxlb, maxlprj, maxnprja, maxsoa, msab, n, ncob, np_car, np_sph, nsatbas, nseta, & | ^ Warning: ‘n’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_oce_methods.F:548:40: 548 | clist%nsgf_cnt = nsgf_cnt | ^ Warning: ‘nsgf_cnt’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_oce_methods.mod' due to: qs_oce_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_oce_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod qs_neighbor_list_types.mod sap_kind_types.mod paw_proj_set_types.mod block_p_types.mod basis_set_types.mod orbital_transformation_matrices.mod orbital_pointers.mod ai_overlap.mod mathconstants.mod kinds.mod base_hooks.mod ao_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_rho_atom_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_atom_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 sap_kind_types.mod paw_proj_set_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_atom_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod orbital_pointers.mod lebedev.mod whittaker.mod base_hooks.mod spherical_harmonics.mod qs_grid_atom.mod message_passing.mod kinds.mod qs_oce_methods.mod qs_harmonics_atom.mod memory_utilities.mod mathconstants.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho_atom_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_rho_atom_methods.mod' due to: qs_rho_atom_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_atom_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 sap_kind_types.mod paw_proj_set_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_atom_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod orbital_pointers.mod lebedev.mod whittaker.mod base_hooks.mod spherical_harmonics.mod qs_grid_atom.mod message_passing.mod kinds.mod qs_oce_methods.mod qs_harmonics_atom.mod memory_utilities.mod mathconstants.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_rho_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_rho_atom_types.mod task_list_types.mod qs_local_rho_types.mod qs_environment_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod qs_oce_types.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_atom_methods.mod pw_methods.mod cp_dbcsr_cp2k_link.mod kinds.mod ri_environment_methods.mod cp_log_handling.mod qs_collocate_density.mod lri_environment_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_methods.F qs_rho_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_rho_methods.mod' due to: qs_rho_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_rho_atom_types.mod task_list_types.mod qs_local_rho_types.mod qs_environment_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod qs_oce_types.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_atom_methods.mod pw_methods.mod cp_dbcsr_cp2k_link.mod kinds.mod ri_environment_methods.mod cp_log_handling.mod qs_collocate_density.mod lri_environment_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dispersion_nonloc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_nonloc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod qs_dispersion_types.mod pw_pool_types.mod input_constants.mod message_passing.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod cp_files.mod pw_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:54:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dispersion_nonloc.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_nonloc.F:598:61: 598 | REAL(KIND=dp) :: g, g2, g2_last, g_multiplier, gm | ^ Warning: ‘g’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_nonloc.F:854:32: 854 | IF (use_virial .AND. ABS(prefactor) > 0.0_dp) THEN | ^ Warning: ‘prefactor’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_nonloc.F:760:84: 760 | dq_6, e, f, P, prefactor, tmp_1_2, & | ^ note: ‘prefactor’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_nonloc.F:1051:105: 1051 | dq0_dgradrho(i_grid) = total_rho(i_grid)*dq0_dq*2.0_dp*(-Z_ab)/(36.0_dp*kF*total_rho(i_grid)**2) | ^ Warning: ‘z_ab’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_nonloc.F:975:86: 975 | q_min, r_s, sqrt_r_s, Z_ab | ^ note: ‘z_ab’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_nonloc.F:1189:118: 1189 | *(gradient_rho(i_grid, 1)**2 + gradient_rho(i_grid, 2)**2 + gradient_rho(i_grid, 3)**2) | ^ Warning: ‘z_ab’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_nonloc.F:1158:86: 1158 | q_min, r_s, sqrt_r_s, Z_ab | ^ note: ‘z_ab’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dispersion_nonloc.mod' due to: qs_dispersion_nonloc.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_nonloc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod qs_dispersion_types.mod pw_pool_types.mod input_constants.mod message_passing.mod mathconstants.mod kinds.mod bibliography.mod base_hooks.mod cp_files.mod pw_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_vxc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_vxc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_types.mod qs_rho_types.mod virial_types.mod cp_para_types.mod pw_pool_types.mod qs_dispersion_types.mod xc.mod input_constants.mod kinds.mod qs_dispersion_nonloc.mod base_hooks.mod pw_methods.mod pw_grids.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_vxc.F qs_vxc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_vxc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_vxc.mod' due to: qs_vxc.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_vxc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_types.mod qs_rho_types.mod virial_types.mod cp_para_types.mod pw_pool_types.mod qs_dispersion_types.mod xc.mod input_constants.mod kinds.mod qs_dispersion_nonloc.mod base_hooks.mod pw_methods.mod pw_grids.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kg_correction.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/kg_correction.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod kg_environment_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod input_section_types.mod xc_derivative_set_types.mod qs_environment_types.mod xc_rho_set_types.mod lri_environment_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod lri_forces.mod pw_methods.mod qs_rho_methods.mod message_passing.mod kinds.mod lri_ks_methods.mod xc_derivatives.mod xc.mod qs_integrate_potential.mod lri_environment_methods.mod qs_vxc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/kg_correction.F kg_correction.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kg_correction.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kg_correction.mod' due to: kg_correction.o /build/cp2k-6PcaEs/cp2k-8.1/src/kg_correction.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod kg_environment_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod input_section_types.mod xc_derivative_set_types.mod qs_environment_types.mod xc_rho_set_types.mod lri_environment_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod lri_forces.mod pw_methods.mod qs_rho_methods.mod message_passing.mod kinds.mod lri_ks_methods.mod xc_derivatives.mod xc.mod qs_integrate_potential.mod lri_environment_methods.mod qs_vxc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_efield_berry.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_efield_berry.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod block_p_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod qs_force_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_period_efield_types.mod basis_set_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod atomic_kind_types.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod kinds.mod qs_moments.mod ai_moments.mod cp_fm_basic_linalg.mod mathconstants.mod cp_gemm_interface.mod virial_methods.mod cp_cfm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_efield_berry.F qs_efield_berry.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_efield_berry.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_efield_berry.F:1050:95: 1050 | force_tmp(iatom, :, i) = force_tmp(iatom, :, i) - fab*hmat(i, idir)*forcea(:) | ^ Warning: ‘force_tmp.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_efield_berry.F:1050:95: Warning: ‘force_tmp.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_efield_berry.F:691:85: 691 | REAL(dp), DIMENSION(:, :, :), POINTER :: dcosab, dsinab, force_tmp | ^ Warning: ‘force_tmp.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_efield_berry.F:691:85: Warning: ‘force_tmp.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_efield_berry.mod' due to: qs_efield_berry.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_efield_berry.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod block_p_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod qs_force_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_period_efield_types.mod basis_set_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod atomic_kind_types.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod kinds.mod qs_moments.mod ai_moments.mod cp_fm_basic_linalg.mod mathconstants.mod cp_gemm_interface.mod virial_methods.mod cp_cfm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_rho0_ggrid.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_ggrid.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod pw_types.mod cp_para_types.mod qs_rho0_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_force_types.mod qs_rho_atom_types.mod qs_local_rho_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod atomic_kind_types.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod pw_methods.mod message_passing.mod grid_api.mod kinds.mod qs_harmonics_atom.mod memory_utilities.mod mathconstants.mod qs_integrate_potential.mod util.mod cube_utils.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_ggrid.F qs_rho0_ggrid.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho0_ggrid.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_rho0_ggrid.mod' due to: qs_rho0_ggrid.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_ggrid.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod pw_types.mod cp_para_types.mod qs_rho0_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_force_types.mod qs_rho_atom_types.mod qs_local_rho_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod atomic_kind_types.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod pw_methods.mod message_passing.mod grid_api.mod kinds.mod qs_harmonics_atom.mod memory_utilities.mod mathconstants.mod qs_integrate_potential.mod util.mod cube_utils.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_rho0_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho0_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_atom_types.mod input_section_types.mod qs_local_rho_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod ao_util.mod qs_grid_atom.mod cp_output_handling.mod kinds.mod qs_oce_methods.mod qs_harmonics_atom.mod cp_log_handling.mod memory_utilities.mod mathconstants.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_methods.F qs_rho0_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_rho0_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_methods.F:194:74: 194 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as | ^ Warning: ‘cpc_as.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_methods.F:194:66: 194 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as | ^ Warning: ‘cpc_ah.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_rho0_methods.mod' due to: qs_rho0_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_rho0_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho0_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_atom_types.mod input_section_types.mod qs_local_rho_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod ao_util.mod qs_grid_atom.mod cp_output_handling.mod kinds.mod qs_oce_methods.mod qs_harmonics_atom.mod cp_log_handling.mod memory_utilities.mod mathconstants.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_gapw_densities.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gapw_densities.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod qs_local_rho_types.mod cp_control_types.mod qs_rho0_types.mod qs_charges_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod qs_rho_atom_types.mod message_passing.mod qs_rho0_methods.mod kinds.mod base_hooks.mod qs_rho_atom_methods.mod qs_rho0_ggrid.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gapw_densities.F qs_gapw_densities.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gapw_densities.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_gapw_densities.mod' due to: qs_gapw_densities.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gapw_densities.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod qs_local_rho_types.mod cp_control_types.mod qs_rho0_types.mod qs_charges_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod qs_rho_atom_types.mod message_passing.mod qs_rho0_methods.mod kinds.mod base_hooks.mod qs_rho_atom_methods.mod qs_rho0_ggrid.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 's_square_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/s_square_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod input_constants.mod message_passing.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/s_square_methods.F s_square_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' s_square_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 's_square_methods.mod' due to: s_square_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/s_square_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_mo_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod input_constants.mod message_passing.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_image_charge.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_image_charge.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod pw_types.mod cp_para_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qmmm_types_low.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod realspace_grid_types.mod input_constants.mod base_hooks.mod pw_methods.mod ao_util.mod message_passing.mod eri_mme_integrate.mod cp_output_handling.mod kinds.mod cp_eri_mme_interface.mod cp_log_handling.mod memory_utilities.mod qs_collocate_density.mod mathconstants.mod cp_files.mod pw_poisson_methods.mod qs_integrate_potential.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_image_charge.F qmmm_image_charge.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_image_charge.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_image_charge.mod' due to: qmmm_image_charge.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_image_charge.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod pw_types.mod cp_para_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qmmm_types_low.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod realspace_grid_types.mod input_constants.mod base_hooks.mod pw_methods.mod ao_util.mod message_passing.mod eri_mme_integrate.mod cp_output_handling.mod kinds.mod cp_eri_mme_interface.mod cp_log_handling.mod memory_utilities.mod qs_collocate_density.mod mathconstants.mod cp_files.mod pw_poisson_methods.mod qs_integrate_potential.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_output.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_output.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_cdft_types.mod qs_kind_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod qs_charges_types.mod qs_scf_types.mod input_section_types.mod ps_implicit_types.mod qs_environment_types.mod qs_cdft_opt_types.mod qs_mo_types.mod qs_energy_types.mod atomic_kind_types.mod input_constants.mod qs_mo_io.mod base_hooks.mod cp_output_handling.mod kinds.mod cp_log_handling.mod machine.mod cp_units.mod qs_mo_methods.mod cp_dbcsr_output.mod qmmm_image_charge.mod kahan_sum.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_output.F qs_scf_output.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_output.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_output.mod' due to: qs_scf_output.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_output.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_cdft_types.mod qs_kind_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod qs_charges_types.mod qs_scf_types.mod input_section_types.mod ps_implicit_types.mod qs_environment_types.mod qs_cdft_opt_types.mod qs_mo_types.mod qs_energy_types.mod atomic_kind_types.mod input_constants.mod qs_mo_io.mod base_hooks.mod cp_output_handling.mod kinds.mod cp_log_handling.mod machine.mod cp_units.mod qs_mo_methods.mod cp_dbcsr_output.mod qmmm_image_charge.mod kahan_sum.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_cdft_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_cdft_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod outer_scf_control_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod hirshfeld_types.mod realspace_grid_types.mod atomic_kind_types.mod input_constants.mod qs_scf_output.mod base_hooks.mod hirshfeld_methods.mod ao_util.mod cp_output_handling.mod grid_api.mod bibliography.mod kinds.mod cp_log_handling.mod cp_units.mod memory_utilities.mod cp_realspace_grid_cube.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_utils.F qs_cdft_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_cdft_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_utils.F:925:54: 925 | nzeroed_inner = nzeroed_inner + 1 | ^ Warning: ‘nzeroed_inner’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_utils.F:935:48: 935 | nzeroed = nzeroed + nzeroed_inner | ^ Warning: ‘nzeroed’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_cdft_utils.mod' due to: qs_cdft_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_cdft_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod outer_scf_control_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod hirshfeld_types.mod realspace_grid_types.mod atomic_kind_types.mod input_constants.mod qs_scf_output.mod base_hooks.mod hirshfeld_methods.mod ao_util.mod cp_output_handling.mod grid_api.mod bibliography.mod kinds.mod cp_log_handling.mod cp_units.mod memory_utilities.mod cp_realspace_grid_cube.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_cdft_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_rho_types.mod qs_subsys_types.mod cp_para_types.mod qs_cdft_types.mod qs_rho0_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod hirshfeld_types.mod realspace_grid_types.mod atomic_kind_types.mod input_constants.mod qs_cdft_utils.mod base_hooks.mod pw_methods.mod ao_util.mod message_passing.mod cp_output_handling.mod grid_api.mod kinds.mod cp_log_handling.mod cp_realspace_grid_cube.mod cube_utils.mod kahan_sum.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F qs_cdft_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_cdft_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:916:122: 916 | gapw_offset(igroup, i) = gapw_offset(igroup, i) + sign*group(igroup)%coeff(iatom)*mp_rho(jatom)%q0(i) | ^ Warning: ‘sign’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:791:66: 791 | TYPE(pw_p_type), DIMENSION(:), POINTER :: charge, rho_r | ^ Warning: ‘charge.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:791:66: Warning: ‘charge.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:161:68: 161 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj | ^ Warning: ‘dp_i_drj.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:161:68: Warning: ‘dp_i_drj.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:315:35: 315 | dP_i_dRi = 0.0_dp | ^ Warning: ‘dp_i_dri.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:311:38: 311 | d_sum_Pm_dR = 0.0_dp | ^ Warning: ‘d_sum_pm_dr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:154:73: 154 | LOGICAL, ALLOCATABLE, DIMENSION(:, :) :: atom_in_group | ^ Warning: ‘atom_in_group.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:154:73: Warning: ‘atom_in_group.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:471:115: 471 | group(igroup)%coeff(ip)*dP_i_dRi(:, iatom) | ^ Warning: ‘ip’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:172:66: 172 | TYPE(pw_p_type), DIMENSION(:), POINTER :: charge | ^ Warning: ‘charge.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:172:66: Warning: ‘charge.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F:724:98: 724 | rho_r(ispin)%pw%cr3d(k, j, i)*dvol | ^ Warning: ‘sign’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_cdft_methods.mod' due to: qs_cdft_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_rho_types.mod qs_subsys_types.mod cp_para_types.mod qs_cdft_types.mod qs_rho0_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod hirshfeld_types.mod realspace_grid_types.mod atomic_kind_types.mod input_constants.mod qs_cdft_utils.mod base_hooks.mod pw_methods.mod ao_util.mod message_passing.mod cp_output_handling.mod grid_api.mod kinds.mod cp_log_handling.mod cp_realspace_grid_cube.mod cube_utils.mod kahan_sum.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ks_apply_restraints.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_apply_restraints.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_para_types.mod qs_cdft_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod input_constants.mod mulliken.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod kinds.mod s_square_methods.mod qs_cdft_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_apply_restraints.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ks_apply_restraints.mod' due to: qs_ks_apply_restraints.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_apply_restraints.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_para_types.mod qs_cdft_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod input_constants.mod mulliken.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod kinds.mod s_square_methods.mod qs_cdft_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_vxc_atom.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_vxc_atom.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod paw_proj_set_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_atom_types.mod input_section_types.mod qs_linres_types.mod xc_derivative_set_types.mod qs_local_rho_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_energy_types.mod basis_set_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod qs_grid_atom.mod message_passing.mod kinds.mod qs_harmonics_atom.mod xc_derivatives.mod memory_utilities.mod xc_atom.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_vxc_atom.F qs_vxc_atom.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:55:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_vxc_atom.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_vxc_atom.F:318:105: 318 | ir, rho_nlcc(:, 1), rho_h, rho_s, rho_nlcc(:, 2), drho_h, drho_s) | ^ Warning: ‘rho_nlcc.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_vxc_atom.F:113:75: 113 | REAL(dp), DIMENSION(:, :), POINTER :: rho_h, rho_nlcc, rho_s, weight | ^ Warning: ‘rho_nlcc.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_vxc_atom.F:113:75: Warning: ‘rho_nlcc.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_vxc_atom.F:113:75: Warning: ‘rho_nlcc.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_vxc_atom.mod' due to: qs_vxc_atom.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_vxc_atom.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod paw_proj_set_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_rho_atom_types.mod input_section_types.mod qs_linres_types.mod xc_derivative_set_types.mod qs_local_rho_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_energy_types.mod basis_set_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod qs_grid_atom.mod message_passing.mod kinds.mod qs_harmonics_atom.mod xc_derivatives.mod memory_utilities.mod xc_atom.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hartree_local_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hartree_local_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_rho0_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_charges_types.mod qs_rho_atom_types.mod qs_local_rho_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod atprop_types.mod hartree_local_types.mod orbital_pointers.mod base_hooks.mod qs_grid_atom.mod message_passing.mod kinds.mod qs_harmonics_atom.mod mathconstants.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hartree_local_methods.F hartree_local_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:56:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hartree_local_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hartree_local_methods.mod' due to: hartree_local_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/hartree_local_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_rho0_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_charges_types.mod qs_rho_atom_types.mod qs_local_rho_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod atprop_types.mod hartree_local_types.mod orbital_pointers.mod base_hooks.mod qs_grid_atom.mod message_passing.mod kinds.mod qs_harmonics_atom.mod mathconstants.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_pw_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_pw_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod cp_output_handling.mod kinds.mod cp_log_handling.mod qs_collocate_density.mod mathconstants.mod pw_poisson_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_pw_methods.F hfx_pw_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:56:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_pw_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_pw_methods.mod' due to: hfx_pw_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_pw_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod cp_output_handling.mod kinds.mod cp_log_handling.mod qs_collocate_density.mod mathconstants.mod pw_poisson_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_contraction_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F hfx_contraction_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:56:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_contraction_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_contraction_methods.mod' due to: hfx_contraction_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/hfx_contraction_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_libint_interface.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_libint_interface.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod hfx_types.mod input_constants.mod orbital_pointers.mod mathconstants.mod hfx_contraction_methods.mod kinds.mod t_c_g0.mod base_hooks.mod gamma.mod libint_wrapper.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_libint_interface.F hfx_libint_interface.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:57:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_libint_interface.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_libint_interface.F:259:37: 259 | factor = factor*S1234*SQRT(tmp) | ^ Warning: ‘factor’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_libint_interface.mod' due to: hfx_libint_interface.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_libint_interface.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod hfx_types.mod input_constants.mod orbital_pointers.mod mathconstants.mod hfx_contraction_methods.mod kinds.mod t_c_g0.mod base_hooks.mod gamma.mod libint_wrapper.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 't_sh_p_s_c.mod' due to: t_sh_p_s_c.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_pair_list_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_pair_list_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod hfx_types.mod mp2_types.mod input_constants.mod mathconstants.mod kinds.mod t_c_g0.mod base_hooks.mod gamma.mod t_sh_p_s_c.mod libint_wrapper.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_pair_list_methods.F hfx_pair_list_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:57:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_pair_list_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_pair_list_methods.F:295:46: 295 | factor = factor*S1234*SQRT(tmp) | ^ Warning: ‘factor’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_pair_list_methods.mod' due to: hfx_pair_list_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_pair_list_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod hfx_types.mod mp2_types.mod input_constants.mod mathconstants.mod kinds.mod t_c_g0.mod base_hooks.mod gamma.mod t_sh_p_s_c.mod libint_wrapper.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_load_balance_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod cell_types.mod hfx_types.mod cp_para_types.mod hfx_pair_list_methods.mod input_constants.mod message_passing.mod util.mod kinds.mod base_hooks.mod cp_files.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F hfx_load_balance_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:57:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_load_balance_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:2360:45: 2360 | shm_bins_per_rank(i_thread + 1) = nbins | ^ Warning: ‘nbins’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:94: 1997 | REAL(dp), DIMENSION(:, :), POINTER :: ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4 | ^ Warning: ‘ptr_p_4.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:94: Warning: ‘ptr_p_4.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:94: Warning: ‘ptr_p_4.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:224:36: 224 | pmax_4 = ptr_p_4(jset, kset) | ^ Warning: ‘ptr_p_4.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:94: 1997 | REAL(dp), DIMENSION(:, :), POINTER :: ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4 | ^ note: ‘ptr_p_4.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:85: 1997 | REAL(dp), DIMENSION(:, :), POINTER :: ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4 | ^ Warning: ‘ptr_p_3.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:85: Warning: ‘ptr_p_3.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:85: Warning: ‘ptr_p_3.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:223:36: 223 | pmax_3 = ptr_p_3(iset, lset) | ^ Warning: ‘ptr_p_3.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:85: 1997 | REAL(dp), DIMENSION(:, :), POINTER :: ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4 | ^ note: ‘ptr_p_3.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:76: 1997 | REAL(dp), DIMENSION(:, :), POINTER :: ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4 | ^ Warning: ‘ptr_p_2.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:76: Warning: ‘ptr_p_2.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:76: Warning: ‘ptr_p_2.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:222:36: 222 | pmax_2 = ptr_p_2(jset, lset) | ^ Warning: ‘ptr_p_2.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:76: 1997 | REAL(dp), DIMENSION(:, :), POINTER :: ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4 | ^ note: ‘ptr_p_2.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:67: 1997 | REAL(dp), DIMENSION(:, :), POINTER :: ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4 | ^ Warning: ‘ptr_p_1.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:67: Warning: ‘ptr_p_1.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:67: Warning: ‘ptr_p_1.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:221:36: 221 | pmax_1 = ptr_p_1(iset, kset) | ^ Warning: ‘ptr_p_1.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1997:67: 1997 | REAL(dp), DIMENSION(:, :), POINTER :: ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4 | ^ note: ‘ptr_p_1.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1991:77: 1991 | jset, katom, kind_kind_idx, kkind, kset, latom, lkind, lset, swap_id | ^ Warning: ‘swap_id’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F:1546:58: 1546 | bin_histogram(my_process_id + 1, 1) = my_bin_size | ^ Warning: ‘my_bin_size’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_load_balance_methods.mod' due to: hfx_load_balance_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_load_balance_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod cell_types.mod hfx_types.mod cp_para_types.mod hfx_pair_list_methods.mod input_constants.mod message_passing.mod util.mod kinds.mod base_hooks.mod cp_files.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_screening_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_screening_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod hfx_types.mod qs_environment_types.mod basis_set_types.mod machine.mod orbital_pointers.mod kinds.mod base_hooks.mod hfx_libint_interface.mod libint_wrapper.mod powell.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_screening_methods.F hfx_screening_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:57:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_screening_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_screening_methods.mod' due to: hfx_screening_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_screening_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod hfx_types.mod qs_environment_types.mod basis_set_types.mod machine.mod orbital_pointers.mod kinds.mod base_hooks.mod hfx_libint_interface.mod libint_wrapper.mod powell.mod ao_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_contract_block.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/hfx_contract_block.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/hfx_contract_block.F hfx_contract_block.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:57:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_contract_block.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_contract_block.mod' due to: hfx_contract_block.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfxbase/hfx_contract_block.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_communication.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_communication.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_control_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_communication.F hfx_communication.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:58:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_communication.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_communication.mod' due to: hfx_communication.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_communication.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_control_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_energy_potential.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod qs_environment_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod hfx_libint_interface.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod libint_wrapper.mod cp_log_handling.mod machine.mod mathconstants.mod t_c_g0.mod hfx_load_balance_methods.mod hfx_screening_methods.mod cp_files.mod hfx_pair_list_methods.mod hfx_contract_block.mod util.mod hfx_communication.mod gamma.mod hfx_compression_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F hfx_energy_potential.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:58:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_energy_potential.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:74: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:74: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:128:36: 128 | pmax_4 = ptr_p_4(jset, kset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:74: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:74: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:128:36: 128 | pmax_4 = ptr_p_4(jset, kset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:74: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:65: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:65: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:127:36: 127 | pmax_3 = ptr_p_3(iset, lset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:65: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:65: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:127:36: 127 | pmax_3 = ptr_p_3(iset, lset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:65: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:56: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:56: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:126:36: 126 | pmax_2 = ptr_p_2(jset, lset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:56: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:56: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:126:36: 126 | pmax_2 = ptr_p_2(jset, lset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:56: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:47: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:47: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:125:36: 125 | pmax_1 = ptr_p_1(iset, kset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:47: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:47: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:125:36: 125 | pmax_1 = ptr_p_1(iset, kset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:205:47: 205 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:168:60: 168 | sphi_c_u3, sphi_d_u1, sphi_d_u2, sphi_d_u3, swap_id, tmp_i4, unit_id | ^ Warning: ‘swap_id’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:222:79: 222 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers, & | ^ Warning: ‘integral_containers.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:222:79: Warning: ‘integral_containers.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:222:79: Warning: ‘integral_containers.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:1645:86: 1645 | use_disk_storage) | ^ Warning: ‘integral_containers.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:222:79: 222 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers, & | ^ note: ‘integral_containers.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:220:75: 220 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk | ^ Warning: ‘integral_caches.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:220:75: Warning: ‘integral_caches.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:220:75: Warning: ‘integral_caches.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:1645:86: 1645 | use_disk_storage) | ^ Warning: ‘integral_caches.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:220:75: 220 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk | ^ note: ‘integral_caches.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:1588:69: 1588 | use_disk_storage, max_val_memory) | ^ Warning: ‘maxval_container’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:224:76: 224 | TYPE(hfx_container_type), POINTER :: maxval_container, maxval_container_disk | ^ note: ‘maxval_container’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:1588:69: 1588 | use_disk_storage, max_val_memory) | ^ Warning: ‘maxval_cache’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:221:72: 221 | TYPE(hfx_cache_type), POINTER :: maxval_cache, maxval_cache_disk | ^ note: ‘maxval_cache’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:220:97: 220 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk | ^ Warning: ‘integral_caches_disk.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:223:84: 223 | integral_containers_disk | ^ Warning: ‘integral_containers_disk.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:2117:91: 2117 | memory_parameter%actual_memory_usage_disk, .TRUE.) | ^ Warning: ‘integral_containers_disk.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:223:84: 223 | integral_containers_disk | ^ note: ‘integral_containers_disk.span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:2117:91: 2117 | memory_parameter%actual_memory_usage_disk, .TRUE.) | ^ Warning: ‘integral_containers_disk.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:223:84: 223 | integral_containers_disk | ^ note: ‘integral_containers_disk.offset’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:2117:91: 2117 | memory_parameter%actual_memory_usage_disk, .TRUE.) | ^ Warning: ‘integral_containers_disk.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:223:84: 223 | integral_containers_disk | ^ note: ‘integral_containers_disk.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:2122:60: 2122 | do_disk_storage) | ^ Warning: ‘maxval_container_disk’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:224:99: 224 | TYPE(hfx_container_type), POINTER :: maxval_container, maxval_container_disk | ^ note: ‘maxval_container_disk’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:2122:60: 2122 | do_disk_storage) | ^ Warning: ‘maxval_cache_disk’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F:221:91: 221 | TYPE(hfx_cache_type), POINTER :: maxval_cache, maxval_cache_disk | ^ note: ‘maxval_cache_disk’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_energy_potential.mod' due to: hfx_energy_potential.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_energy_potential.F /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod qs_environment_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod hfx_libint_interface.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod libint_wrapper.mod cp_log_handling.mod machine.mod mathconstants.mod t_c_g0.mod hfx_load_balance_methods.mod hfx_screening_methods.mod cp_files.mod hfx_pair_list_methods.mod hfx_contract_block.mod util.mod hfx_communication.mod gamma.mod hfx_compression_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_derivatives.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod virial_types.mod cp_para_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod atomic_kind_types.mod admm_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod hfx_libint_interface.mod message_passing.mod cp_output_handling.mod kinds.mod libint_wrapper.mod cp_log_handling.mod machine.mod mathconstants.mod t_c_g0.mod hfx_load_balance_methods.mod hfx_screening_methods.mod cp_files.mod hfx_pair_list_methods.mod util.mod hfx_communication.mod gamma.mod hfx_compression_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F hfx_derivatives.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:59:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_derivatives.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:60: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:60: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:224:36: 224 | pmax_4 = ptr_p_4(jset, kset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:60: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:60: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:224:36: 224 | pmax_4 = ptr_p_4(jset, kset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:60: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_4].data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:51: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:51: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:223:36: 223 | pmax_3 = ptr_p_3(iset, lset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:51: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:51: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:223:36: 223 | pmax_3 = ptr_p_3(iset, lset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:51: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_3].data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:42: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:42: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:222:36: 222 | pmax_2 = ptr_p_2(jset, lset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:42: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:42: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:222:36: 222 | pmax_2 = ptr_p_2(jset, lset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:42: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_2].data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:33: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:33: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:221:36: 221 | pmax_1 = ptr_p_1(iset, kset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:33: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:33: Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90:221:36: 221 | pmax_1 = ptr_p_1(iset, kset) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:178:33: 178 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, & | ^ note: ‘MEM[(struct array02_real(kind=8) &)&ptr_p_1].data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:142:38: 142 | sphi_d_u2, sphi_d_u3, swap_id, tmp_i4, unit_id | ^ Warning: ‘swap_id’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1470:44: 1470 | IF (use_virial .AND. spherical_estimate_virial*pmax_entry >= eps_schwarz) THEN | ^ Warning: ‘spherical_estimate_virial’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:167:81: 167 | rb(3), rc(3), rcd2, rd(3), spherical_estimate, spherical_estimate_virial, symm_fac, & | ^ note: ‘spherical_estimate_virial’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1268:80: 1268 | use_disk_storage) | ^ Warning: ‘integral_containers.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:195:79: 195 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers | ^ note: ‘integral_containers.dim[0].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1268:80: 1268 | use_disk_storage) | ^ Warning: ‘integral_containers.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:195:79: 195 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers | ^ note: ‘integral_containers.span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1268:80: 1268 | use_disk_storage) | ^ Warning: ‘integral_containers.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:195:79: 195 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers | ^ note: ‘integral_containers.offset’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1268:80: 1268 | use_disk_storage) | ^ Warning: ‘integral_containers.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:195:79: 195 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers | ^ note: ‘integral_containers.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1375:83: 1375 | use_disk_storage) | ^ Warning: ‘integral_caches.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:193:75: 193 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches | ^ note: ‘integral_caches.dim[0].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1375:83: 1375 | use_disk_storage) | ^ Warning: ‘integral_caches.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:193:75: 193 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches | ^ note: ‘integral_caches.span’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1375:83: 1375 | use_disk_storage) | ^ Warning: ‘integral_caches.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:193:75: 193 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches | ^ note: ‘integral_caches.offset’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1375:83: 1375 | use_disk_storage) | ^ Warning: ‘integral_caches.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:193:75: 193 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches | ^ note: ‘integral_caches.data’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1354:97: 1354 | use_disk_storage, max_val_memory) | ^ Warning: ‘maxval_container’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:196:76: 196 | TYPE(hfx_container_type), POINTER :: maxval_container | ^ note: ‘maxval_container’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:1354:97: 1354 | use_disk_storage, max_val_memory) | ^ Warning: ‘maxval_cache’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F:194:72: 194 | TYPE(hfx_cache_type), POINTER :: maxval_cache | ^ note: ‘maxval_cache’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_derivatives.mod' due to: hfx_derivatives.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_derivatives.F /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_get_pmax_val.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod virial_types.mod cp_para_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod atomic_kind_types.mod admm_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod hfx_libint_interface.mod message_passing.mod cp_output_handling.mod kinds.mod libint_wrapper.mod cp_log_handling.mod machine.mod mathconstants.mod t_c_g0.mod hfx_load_balance_methods.mod hfx_screening_methods.mod cp_files.mod hfx_pair_list_methods.mod util.mod hfx_communication.mod gamma.mod hfx_compression_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_dbcsr_cholesky.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_cholesky.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:59:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_dbcsr_cholesky.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_dbcsr_cholesky.mod' due to: cp_dbcsr_cholesky.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_dbcsr_cholesky.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tensors.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tensors.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod block_p_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod distribution_2d_types.mod basis_set_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod cp_dbcsr_cp2k_link.mod cp_array_utils.mod kinds.mod qs_neighbor_lists.mod libint_wrapper.mod ai_overlap.mod t_c_g0.mod cp_files.mod ai_contraction_sphi.mod libint_2c_3c.mod gamma.mod hfx_compression_methods.mod ai_contraction.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tensors.F qs_tensors.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:59:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tensors.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tensors.F:783:49: 783 | ak%array(1:blk_cnt) = tmp(:) | ^ Warning: ‘blk_cnt’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tensors.F:617:24: 617 | INTEGER :: blk_cnt, handle, i, i_img, iatom, iblk, ikind, iproc, j_img, jatom, jcell, jkind, & | ^ note: ‘blk_cnt’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tensors.mod' due to: qs_tensors.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tensors.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod block_p_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod distribution_2d_types.mod basis_set_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod cp_dbcsr_cp2k_link.mod cp_array_utils.mod kinds.mod qs_neighbor_lists.mod libint_wrapper.mod ai_overlap.mod t_c_g0.mod cp_files.mod ai_contraction_sphi.mod libint_2c_3c.mod gamma.mod hfx_compression_methods.mod ai_contraction.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_ri.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_ri.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod qs_environment_types.mod distribution_2d_types.mod qs_mo_types.mod basis_set_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod cp_dbcsr_cholesky.mod cp_array_utils.mod qs_interactions.mod kinds.mod qs_loc_methods.mod qs_integral_utils.mod machine.mod qs_loc_utils.mod particle_methods.mod cp_dbcsr_diag.mod iterate_matrix.mod util.mod qs_tensors.mod input_cp2k_hfx.mod arnoldi_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_ri.F hfx_ri.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:59:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_ri.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_ri.F:701:35: 701 | SUBROUTINE sort_unique_blkind_2d(blk_ind) | ^ Warning: ‘sort_unique_blkind_2d’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_ri.F:863:70: 863 | DEALLOCATE (occupied_orbs, occupied_evals, homo_localized) | ^ Warning: ‘occupied_orbs.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_ri.F:863:70: Warning: ‘occupied_evals.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_ri.mod' due to: hfx_ri.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_ri.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod qs_environment_types.mod distribution_2d_types.mod qs_mo_types.mod basis_set_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod cp_dbcsr_cholesky.mod cp_array_utils.mod qs_interactions.mod kinds.mod qs_loc_methods.mod qs_integral_utils.mod machine.mod qs_loc_utils.mod particle_methods.mod cp_dbcsr_diag.mod iterate_matrix.mod util.mod qs_tensors.mod input_cp2k_hfx.mod arnoldi_api.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_hash_table_functions.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_hash_table_functions.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_hash_table_functions.F qs_hash_table_functions.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:59:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_hash_table_functions.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_hash_table_functions.mod' due to: qs_hash_table_functions.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_hash_table_functions.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_nl_hash_table_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_nl_hash_table_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_hash_table_functions.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_nl_hash_table_types.F qs_nl_hash_table_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:59:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_nl_hash_table_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_nl_hash_table_types.mod' due to: qs_nl_hash_table_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_nl_hash_table_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod qs_hash_table_functions.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ks_atom.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_atom.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 sap_kind_types.mod virial_types.mod qs_nl_hash_table_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod qs_force_types.mod qs_rho_atom_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod base_hooks.mod ao_util.mod message_passing.mod cp_array_utils.mod kinds.mod qs_oce_methods.mod virial_methods.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_atom.F qs_ks_atom.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 08:59:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_atom.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ks_atom.mod' due to: qs_ks_atom.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_atom.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 sap_kind_types.mod virial_types.mod qs_nl_hash_table_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod qs_force_types.mod qs_rho_atom_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod base_hooks.mod ao_util.mod message_passing.mod cp_array_utils.mod kinds.mod qs_oce_methods.mod virial_methods.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'admm_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/admm_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod paw_proj_set_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod qs_force_types.mod task_list_types.mod input_section_types.mod qs_local_rho_types.mod distribution_1d_types.mod qs_environment_types.mod distribution_2d_types.mod qs_energy_types.mod qs_mo_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod admm_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_atom_methods.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod task_list_methods.mod qs_overlap.mod bibliography.mod kinds.mod qs_oce_methods.mod qs_neighbor_lists.mod cp_fm_basic_linalg.mod qs_gapw_densities.mod qs_vxc_atom.mod cp_log_handling.mod qs_collocate_density.mod cp_gemm_interface.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_ks_atom.mod cp_dbcsr_output.mod qs_vxc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/admm_methods.F admm_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:00:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' admm_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'admm_methods.mod' due to: admm_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/admm_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod paw_proj_set_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod qs_force_types.mod task_list_types.mod input_section_types.mod qs_local_rho_types.mod distribution_1d_types.mod qs_environment_types.mod distribution_2d_types.mod qs_energy_types.mod qs_mo_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod admm_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_atom_methods.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod task_list_methods.mod qs_overlap.mod bibliography.mod kinds.mod qs_oce_methods.mod qs_neighbor_lists.mod cp_fm_basic_linalg.mod qs_gapw_densities.mod qs_vxc_atom.mod cp_log_handling.mod qs_collocate_density.mod cp_gemm_interface.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_ks_atom.mod cp_dbcsr_output.mod qs_vxc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_adiabatic_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc_adiabatic_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod input_constants.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:00:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_adiabatic_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_adiabatic_methods.mod' due to: xc_adiabatic_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc_adiabatic_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod input_constants.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_adiabatic_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc_adiabatic_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod qs_ks_types.mod pw_types.mod qs_rho_types.mod qs_environment_types.mod cp_para_types.mod qs_energy_types.mod input_constants.mod hfx_derivatives.mod xc_adiabatic_methods.mod kinds.mod hfx_communication.mod qs_vxc.mod base_hooks.mod qs_vxc_atom.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:00:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_adiabatic_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_adiabatic_utils.mod' due to: xc_adiabatic_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc_adiabatic_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod qs_ks_types.mod pw_types.mod qs_rho_types.mod qs_environment_types.mod cp_para_types.mod qs_energy_types.mod input_constants.mod hfx_derivatives.mod xc_adiabatic_methods.mod kinds.mod hfx_communication.mod qs_vxc.mod base_hooks.mod qs_vxc_atom.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'hfx_admm_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_admm_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod hfx_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod admm_dm_types.mod qs_kind_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_force_types.mod input_section_types.mod basis_set_container_types.mod qs_local_rho_types.mod external_potential_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod basis_set_types.mod atomic_kind_types.mod admm_types.mod input_constants.mod base_hooks.mod qs_rho_atom_methods.mod hfx_pw_methods.mod hfx_energy_potential.mod hfx_derivatives.mod qs_interactions.mod kinds.mod cp_log_handling.mod hfx_ri.mod admm_methods.mod xc_adiabatic_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_admm_utils.F hfx_admm_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:00:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' hfx_admm_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_admm_utils.F:1214:25: 1214 | energy%ex = ehfx | ^ Warning: ‘ehfx’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_admm_utils.F:550:31: 550 | energy%ex = ehfx + ehfxrt | ^ Warning: ‘ehfxrt’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'hfx_admm_utils.mod' due to: hfx_admm_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/hfx_admm_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod hfx_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod admm_dm_types.mod qs_kind_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_force_types.mod input_section_types.mod basis_set_container_types.mod qs_local_rho_types.mod external_potential_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod basis_set_types.mod atomic_kind_types.mod admm_types.mod input_constants.mod base_hooks.mod qs_rho_atom_methods.mod hfx_pw_methods.mod hfx_energy_potential.mod hfx_derivatives.mod qs_interactions.mod kinds.mod cp_log_handling.mod hfx_ri.mod admm_methods.mod xc_adiabatic_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rtp_admm_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rtp_admm_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod task_list_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod admm_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod kinds.mod cp_fm_basic_linalg.mod qs_collocate_density.mod mathconstants.mod cp_gemm_interface.mod cp_fm_cholesky.mod hfx_admm_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rtp_admm_methods.F rtp_admm_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:00:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rtp_admm_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rtp_admm_methods.mod' due to: rtp_admm_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/rtp_admm_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod task_list_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod admm_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod kinds.mod cp_fm_basic_linalg.mod qs_collocate_density.mod mathconstants.mod cp_gemm_interface.mod cp_fm_cholesky.mod hfx_admm_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dft_plus_u.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/dft_plus_u.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod basis_set_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod orbital_symbols.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod mathlib.mod particle_methods.mod cp_gemm_interface.mod cp_dbcsr_output.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/dft_plus_u.F dft_plus_u.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:00:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dft_plus_u.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dft_plus_u.mod' due to: dft_plus_u.o /build/cp2k-6PcaEs/cp2k-8.1/src/dft_plus_u.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod basis_set_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod orbital_symbols.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod mathlib.mod particle_methods.mod cp_gemm_interface.mod cp_dbcsr_output.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'efield_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/efield_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod cp_control_types.mod qs_rho_types.mod pw_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod qs_force_types.mod qs_energy_types.mod input_constants.mod message_passing.mod mathconstants.mod kinds.mod kahan_sum.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/efield_utils.F efield_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:00:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' efield_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'efield_utils.mod' due to: efield_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/efield_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod cp_control_types.mod qs_rho_types.mod pw_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod qs_force_types.mod qs_energy_types.mod input_constants.mod message_passing.mod mathconstants.mod kinds.mod kahan_sum.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_efield_local.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_efield_local.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod qs_environment_types.mod qs_energy_types.mod qs_period_efield_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod orbital_pointers.mod base_hooks.mod message_passing.mod kinds.mod qs_moments.mod ai_moments.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_efield_local.F qs_efield_local.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:00:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_efield_local.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_efield_local.mod' due to: qs_efield_local.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_efield_local.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod qs_environment_types.mod qs_energy_types.mod qs_period_efield_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod orbital_pointers.mod base_hooks.mod message_passing.mod kinds.mod qs_moments.mod ai_moments.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_integrals.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole_sr.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod semi_empirical_integrals.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:00:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_fock_matrix_integrals.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_integrals.F:1105:68: 1105 | $: ewalds_multipole_sr_macro(mode="PURE_COULOMB") | ^ Warning: ‘ch_j’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_integrals.F:1105:68: Warning: ‘ch_i’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_integrals.mod' due to: se_fock_matrix_integrals.o /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole_sr.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod semi_empirical_types.mod semi_empirical_integrals.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_exchange.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_exchange.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod qs_environment_types.mod qs_neighbor_list_types.mod multipole_types.mod semi_empirical_store_int_types.mod atomic_kind_types.mod semi_empirical_types.mod input_constants.mod base_hooks.mod semi_empirical_int_arrays.mod kinds.mod virial_methods.mod semi_empirical_utils.mod se_fock_matrix_integrals.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:01:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_fock_matrix_exchange.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_exchange.mod' due to: se_fock_matrix_exchange.o /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_exchange.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod qs_environment_types.mod qs_neighbor_list_types.mod multipole_types.mod semi_empirical_store_int_types.mod atomic_kind_types.mod semi_empirical_types.mod input_constants.mod base_hooks.mod semi_empirical_int_arrays.mod kinds.mod virial_methods.mod semi_empirical_utils.mod se_fock_matrix_integrals.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_neighbor_list_control.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_neighbor_list_control.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod exclusion_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod message_passing.mod cp_output_handling.mod fist_neighbor_lists.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:01:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_neighbor_list_control.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_neighbor_list_control.mod' due to: fist_neighbor_list_control.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_neighbor_list_control.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod exclusion_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod message_passing.mod cp_output_handling.mod fist_neighbor_lists.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ewalds_multipole.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole_sr.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod damping_dipole_types.mod pw_grid_types.mod dg_types.mod cell_types.mod pw_pool_types.mod input_section_types.mod dg_rho0_types.mod ewald_pw_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod structure_factor_types.mod ewald_environment_types.mod base_hooks.mod message_passing.mod bibliography.mod kinds.mod cp_log_handling.mod mathlib.mod mathconstants.mod structure_factors.mod fist_neighbor_list_control.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F ewalds_multipole.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:01:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewalds_multipole.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:600:46: 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) | ^ Warning: ‘tij’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:555:107: 555 | ptens12, ptens13, ptens21, ptens22, ptens23, ptens31, ptens32, ptens33, r, rab2, tij, & | ^ note: ‘tij’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:554:40: 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & | ^ Warning: ‘ch_j’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:554:34: 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & | ^ Warning: ‘ch_i’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:481:46: 481 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_GAUSS", damping=False, store_energy=True, store_forces=True) | ^ Warning: ‘tij’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:382:32: 382 | rcut, tij, tmp, tmp1, tmp11, tmp12, tmp13, tmp2, tmp21, tmp22, tmp23, tmp31, tmp32, & | ^ note: ‘tij’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:378:46: 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & | ^ Warning: ‘ch_j’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:378:40: 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & | ^ Warning: ‘ch_i’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:600:75: 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) | ^ Warning: ‘efield2_sr.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:161:70: 161 | efield2_sr | ^ note: ‘efield2_sr.dim[1].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:600:75: 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) | ^ Warning: ‘efield2_sr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:161:70: 161 | efield2_sr | ^ note: ‘efield2_sr.offset’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:600:72: 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) | ^ Warning: ‘efield1_sr.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:160:82: 160 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: efield1_lr, efield1_sr, efield2_lr, & | ^ note: ‘efield1_sr.dim[1].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:600:72: 600 | $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) | ^ Warning: ‘efield1_sr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F:160:82: 160 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: efield1_lr, efield1_sr, efield2_lr, & | ^ note: ‘efield1_sr.offset’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ewalds_multipole.mod' due to: ewalds_multipole.o /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole.F /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds_multipole_sr.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod damping_dipole_types.mod pw_grid_types.mod dg_types.mod cell_types.mod pw_pool_types.mod input_section_types.mod dg_rho0_types.mod ewald_pw_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod structure_factor_types.mod ewald_environment_types.mod base_hooks.mod message_passing.mod bibliography.mod kinds.mod cp_log_handling.mod mathlib.mod mathconstants.mod structure_factors.mod fist_neighbor_list_control.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_coulomb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod qs_force_types.mod semi_empirical_mpole_types.mod input_section_types.mod ewald_pw_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod multipole_types.mod semi_empirical_store_int_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_integrals.mod cp_dbcsr_operations.mod base_hooks.mod ewalds_multipole.mod semi_empirical_int_arrays.mod message_passing.mod cp_output_handling.mod kinds.mod semi_empirical_mpole_methods.mod cp_log_handling.mod virial_methods.mod semi_empirical_utils.mod se_fock_matrix_integrals.mod fist_neighbor_list_control.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:01:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_fock_matrix_coulomb.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_coulomb.F:688:46: 688 | ALLOCATE (forces_g(3, forces_g_size)) | ^ Warning: ‘forces_g_size’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_coulomb.mod' due to: se_fock_matrix_coulomb.o /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod qs_force_types.mod semi_empirical_mpole_types.mod input_section_types.mod ewald_pw_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod multipole_types.mod semi_empirical_store_int_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_integrals.mod cp_dbcsr_operations.mod base_hooks.mod ewalds_multipole.mod semi_empirical_int_arrays.mod message_passing.mod cp_output_handling.mod kinds.mod semi_empirical_mpole_methods.mod cp_log_handling.mod virial_methods.mod semi_empirical_utils.mod se_fock_matrix_integrals.mod fist_neighbor_list_control.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'se_fock_matrix_dbg.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_dbg.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod qs_environment_types.mod qs_energy_types.mod se_fock_matrix_coulomb.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:01:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_fock_matrix_dbg.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'se_fock_matrix_dbg.mod' due to: se_fock_matrix_dbg.o /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix_dbg.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_store_int_types.mod qs_environment_types.mod qs_energy_types.mod se_fock_matrix_coulomb.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'se_fock_matrix.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod semi_empirical_store_int_types.mod atomic_kind_types.mod atprop_types.mod input_constants.mod base_hooks.mod cp_output_handling.mod kinds.mod se_fock_matrix_exchange.mod cp_log_handling.mod se_fock_matrix_dbg.mod se_fock_matrix_coulomb.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix.F se_fock_matrix.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:01:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_fock_matrix.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'se_fock_matrix.mod' due to: se_fock_matrix.o /build/cp2k-6PcaEs/cp2k-8.1/src/se_fock_matrix.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod semi_empirical_store_int_types.mod atomic_kind_types.mod atprop_types.mod input_constants.mod base_hooks.mod cp_output_handling.mod kinds.mod se_fock_matrix_exchange.mod cp_log_handling.mod se_fock_matrix_dbg.mod se_fock_matrix_coulomb.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_condnum.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_condnum.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod mathlib.mod cp_blacs_env.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_fm_diag.mod arnoldi_api.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_condnum.F qs_condnum.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:01:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_condnum.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_condnum.mod' due to: qs_condnum.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_condnum.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod cp_fm_struct.mod mathlib.mod cp_blacs_env.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod cp_fm_diag.mod arnoldi_api.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dispersion_pairpot.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod molecule_types.mod qs_dispersion_types.mod qs_kind_types.mod cell_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_parser_types.mod atomic_kind_types.mod atprop_types.mod input_constants.mod cp_parser_methods.mod base_hooks.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod memory_utilities.mod mathconstants.mod virial_methods.mod cp_files.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:01:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dispersion_pairpot.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1599:33: 1599 | e8tot = e8tot - e8 | ^ Warning: ‘e8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1598:33: 1598 | e6tot = e6tot - e6 | ^ Warning: ‘e6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1617:53: 1617 | fdij(:) = (de6 + de8)*rij(:)/dr*fac | ^ Warning: ‘de8’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1617:53: Warning: ‘de6’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1789:117: 1789 | force(jkind)%dispersion(:, atom_b) = force(jkind)%dispersion(:, atom_b) + fdij(:) | ^ Warning: ‘atom_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1788:117: 1788 | force(ikind)%dispersion(:, atom_a) = force(ikind)%dispersion(:, atom_a) - fdij(:) | ^ Warning: ‘atom_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:2000:111: 2000 | elrc9 = elrc9 - s9*64._dp*twopi*REAL(na*nb*nc, KIND=dp)*c9/(6._dp*rcut**3*cell%deth**2) | ^ Warning: ‘s9’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1639:27: 1639 | ELSE IF (idmp == 2) THEN | ^ Warning: ‘idmp’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:2102:10: 2102 | IF (domol) THEN | ^ Warning: ‘domol’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1545:83: 1545 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) | ^ Warning: ‘atstr.dim[2].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1545:83: Warning: ‘atstr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1819:101: 1819 | CALL virial_pair_force(atstr(:, :, katom), -0.5_dp, fdij, rca) | ^ Warning: ‘atstr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1219:65: 1219 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: atstr | ^ Warning: ‘atstr.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1219:65: Warning: ‘atstr.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1219:65: Warning: ‘atstr.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1219:65: Warning: ‘atstr.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1219:65: Warning: ‘atstr.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1545:83: 1545 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) | ^ Warning: ‘atstr.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1550:68: 1550 | atener(iatom) = atener(iatom) - 0.5_dp*xp*fdmp*fac | ^ Warning: ‘atener.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1550:68: Warning: ‘atener.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F:1550:68: Warning: ‘atener.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dispersion_pairpot.mod' due to: qs_dispersion_pairpot.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_pairpot.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod molecule_types.mod qs_dispersion_types.mod qs_kind_types.mod cell_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_neighbor_list_types.mod cp_parser_types.mod atomic_kind_types.mod atprop_types.mod input_constants.mod cp_parser_methods.mod base_hooks.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod memory_utilities.mod mathconstants.mod virial_methods.mod cp_files.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xtb_coulomb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod sap_kind_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod qs_force_types.mod xtb_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_environment_types.mod qs_energy_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod ai_contraction.mod orbital_pointers.mod qmmm_tb_coulomb.mod base_hooks.mod qs_dftb3_methods.mod message_passing.mod kinds.mod ewald_methods_tb.mod qs_integral_utils.mod ai_overlap.mod mathconstants.mod virial_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_coulomb.F xtb_coulomb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:01:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xtb_coulomb.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xtb_coulomb.mod' due to: xtb_coulomb.o /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_coulomb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod sap_kind_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod qs_force_types.mod xtb_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_environment_types.mod qs_energy_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod ai_contraction.mod orbital_pointers.mod qmmm_tb_coulomb.mod base_hooks.mod qs_dftb3_methods.mod message_passing.mod kinds.mod ewald_methods_tb.mod qs_integral_utils.mod ai_overlap.mod mathconstants.mod virial_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_charge_mixing.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_charge_mixing.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_density_mixing_types.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_charge_mixing.F qs_charge_mixing.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:02:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_charge_mixing.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_charge_mixing.mod' due to: qs_charge_mixing.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_charge_mixing.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_density_mixing_types.mod mathlib.mod message_passing.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xtb_matrices.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_matrices.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod block_p_types.mod qs_dispersion_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_scf_types.mod qs_force_types.mod pair_potential_types.mod xtb_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod ai_contraction.mod cp_blacs_env.mod mulliken.mod orbital_pointers.mod qs_condnum.mod efield_tb_methods.mod cp_dbcsr_operations.mod base_hooks.mod pair_potential.mod cp_dbcsr_cp2k_link.mod message_passing.mod cp_output_handling.mod qs_dispersion_pairpot.mod qs_overlap.mod kinds.mod qs_integral_utils.mod string_utilities.mod cp_log_handling.mod ai_overlap.mod pair_potential_util.mod virial_methods.mod xtb_coulomb.mod fparser.mod cp_dbcsr_output.mod xtb_parameters.mod qs_charge_mixing.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_matrices.F xtb_matrices.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:02:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xtb_matrices.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_matrices.F:1466:22: 1466 | IF (iw > 0) WRITE (iw, *) "TESTING ", TRIM(name_atm_a), TRIM(name_atm_b), & | ^ Warning: ‘iw’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_matrices.F:1442:75: 1442 | INTEGER :: ikind, ingp, iw, jkind | ^ note: ‘iw’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_matrices.F:1517:94: 1517 | SUBROUTINE xb_interaction(exb, neighbor_atoms, atom_of_kind, kind_of, sab_xb, kx, kx2, rcab, & | ^ Warning: ‘rcab.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_matrices.F:161:95: 161 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: dfblock, huckel, kcnlk, owork, rcab | ^ note: ‘rcab.dim[1].stride’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_matrices.F:1399:19: 1399 | IF (use_virial) THEN | ^ Warning: ‘use_virial’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_matrices.F:154:46: 154 | omit_headers, use_arnoldi, use_virial, xb_inter | ^ note: ‘use_virial’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xtb_matrices.mod' due to: xtb_matrices.o /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_matrices.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod block_p_types.mod qs_dispersion_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_scf_types.mod qs_force_types.mod pair_potential_types.mod xtb_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod ai_contraction.mod cp_blacs_env.mod mulliken.mod orbital_pointers.mod qs_condnum.mod efield_tb_methods.mod cp_dbcsr_operations.mod base_hooks.mod pair_potential.mod cp_dbcsr_cp2k_link.mod message_passing.mod cp_output_handling.mod qs_dispersion_pairpot.mod qs_overlap.mod kinds.mod qs_integral_utils.mod string_utilities.mod cp_log_handling.mod ai_overlap.mod pair_potential_util.mod virial_methods.mod xtb_coulomb.mod fparser.mod cp_dbcsr_output.mod xtb_parameters.mod qs_charge_mixing.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ks_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hartree_local_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_cdft_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod qs_charges_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_local_rho_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_neighbor_list_types.mod lri_environment_types.mod admm_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod surface_dipole.mod qs_sccs.mod base_hooks.mod qs_core_energies.mod pw_methods.mod qs_ks_utils.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod admm_dm_methods.mod cp_output_handling.mod qs_dftb_matrices.mod kg_correction.mod qs_efield_berry.mod kinds.mod qs_rho0_ggrid.mod cp_fm_basic_linalg.mod qs_gapw_densities.mod qs_ks_apply_restraints.mod qs_ks_qmmm_methods.mod qs_vxc_atom.mod cp_log_handling.mod hartree_local_methods.mod rtp_admm_methods.mod cp_ddapc.mod mathlib.mod cp_gemm_interface.mod qs_ks_atom.mod hfx_admm_utils.mod dft_plus_u.mod pw_poisson_methods.mod qs_integrate_potential.mod efield_utils.mod lri_environment_methods.mod qmmm_image_charge.mod qs_efield_local.mod qs_vxc.mod se_fock_matrix.mod xtb_matrices.mod admm_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_methods.F qs_ks_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:02:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ks_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ks_methods.mod' due to: qs_ks_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ks_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hartree_local_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_cdft_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod qs_charges_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_local_rho_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_neighbor_list_types.mod lri_environment_types.mod admm_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod surface_dipole.mod qs_sccs.mod base_hooks.mod qs_core_energies.mod pw_methods.mod qs_ks_utils.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod admm_dm_methods.mod cp_output_handling.mod qs_dftb_matrices.mod kg_correction.mod qs_efield_berry.mod kinds.mod qs_rho0_ggrid.mod cp_fm_basic_linalg.mod qs_gapw_densities.mod qs_ks_apply_restraints.mod qs_ks_qmmm_methods.mod qs_vxc_atom.mod cp_log_handling.mod hartree_local_methods.mod rtp_admm_methods.mod cp_ddapc.mod mathlib.mod cp_gemm_interface.mod qs_ks_atom.mod hfx_admm_utils.mod dft_plus_u.mod pw_poisson_methods.mod qs_integrate_potential.mod efield_utils.mod lri_environment_methods.mod qmmm_image_charge.mod qs_efield_local.mod qs_vxc.mod se_fock_matrix.mod xtb_matrices.mod admm_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_active_space_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod pw_grid_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod qs_active_space_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod particle_list_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod pw_methods.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod task_list_methods.mod kinds.mod qs_loc_methods.mod pw_env_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod memory_utilities.mod qs_collocate_density.mod qs_loc_utils.mod mathconstants.mod cp_gemm_interface.mod qs_mo_methods.mod cp_files.mod cp_fm_diag.mod pw_poisson_methods.mod cp_fm_vect.mod cp_realspace_grid_cube.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F qs_active_space_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:02:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_active_space_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:1179:82: 1179 | wfn_r%pw%cr3d = rho_r%pw%cr3d*wfn3%pw%cr3d*wfn4%pw%cr3d | ^ Warning: ‘wfn4’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:981:82: 981 | TYPE(pw_p_type), POINTER :: wfn1, wfn2, wfn3, wfn4 | ^ note: ‘wfn4’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:1179:82: 1179 | wfn_r%pw%cr3d = rho_r%pw%cr3d*wfn3%pw%cr3d*wfn4%pw%cr3d | ^ Warning: ‘wfn3’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:981:76: 981 | TYPE(pw_p_type), POINTER :: wfn1, wfn2, wfn3, wfn4 | ^ note: ‘wfn3’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:1142:56: 1142 | rho_r%pw%cr3d = wfn1%pw%cr3d*wfn2%pw%cr3d | ^ Warning: ‘wfn2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:981:70: 981 | TYPE(pw_p_type), POINTER :: wfn1, wfn2, wfn3, wfn4 | ^ note: ‘wfn2’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:1142:56: 1142 | rho_r%pw%cr3d = wfn1%pw%cr3d*wfn2%pw%cr3d | ^ Warning: ‘wfn1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:981:64: 981 | TYPE(pw_p_type), POINTER :: wfn1, wfn2, wfn3, wfn4 | ^ note: ‘wfn1’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:980:65: 980 | TYPE(pw_p_type), DIMENSION(:, :), POINTER :: wfn_a | ^ Warning: ‘wfn_a.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:980:65: Warning: ‘wfn_a.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:980:65: Warning: ‘wfn_a.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:1100:31: 1100 | IF (print2 .AND. iw > 0) THEN | ^ Warning: ‘print2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:965:74: 965 | LOGICAL :: print1, print2, & | ^ note: ‘print2’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:1205:22: 1205 | IF (print1 .AND. iw > 0) THEN | ^ Warning: ‘print1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:965:66: 965 | LOGICAL :: print1, print2, & | ^ note: ‘print1’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:1996:65: 1996 | ALLOCATE (nq(ishell), lq(ishell), zet(ishell), sym(ishell)) | ^ Warning: ‘ishell’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F:187:78: 187 | INTEGER :: eri_method, eri_operator, eri_print, handle, i, iatom, ishell, isp, ispin, iw, j, & | ^ note: ‘ishell’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_active_space_methods.mod' due to: qs_active_space_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_active_space_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod pw_grid_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod qs_active_space_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod particle_list_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod pw_methods.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod task_list_methods.mod kinds.mod qs_loc_methods.mod pw_env_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod memory_utilities.mod qs_collocate_density.mod qs_loc_utils.mod mathconstants.mod cp_gemm_interface.mod qs_mo_methods.mod cp_files.mod cp_fm_diag.mod pw_poisson_methods.mod cp_fm_vect.mod cp_realspace_grid_cube.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_chargemol.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_chargemol.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_subsys_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod qs_force_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod basis_set_types.mod atomic_kind_types.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod orbital_symbols.mod cp_output_handling.mod kinds.mod cp_log_handling.mod machine.mod cp_files.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_chargemol.F qs_chargemol.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:02:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_chargemol.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_chargemol.F:163:83: 163 | extension=".wfx", my_local=.FALSE.) | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_chargemol.F:487:78: 487 | pgf_type_chargemol(bcgf_symbol(icgf) (3:)) | ^ Warning: ‘label’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_chargemol.F:480:78: 480 | pgf_type_chargemol(bcgf_symbol(icgf) (3:)) | ^ Warning: ‘label’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_chargemol.F:755:22: 755 | IF (newl) THEN | ^ Warning: ‘newl’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_chargemol.F:576:49: 576 | DO imo = 1, mos(roks_low)%mo_set%homo | ^ Warning: ‘roks_low’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_chargemol.F:581:78: 581 | DO imo = mos(roks_low)%mo_set%homo + 1, mos(roks_high)%mo_set%homo | ^ Warning: ‘roks_high’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_chargemol.mod' due to: qs_chargemol.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_chargemol.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_subsys_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod qs_force_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod basis_set_types.mod atomic_kind_types.mod orbital_transformation_matrices.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod orbital_symbols.mod cp_output_handling.mod kinds.mod cp_log_handling.mod machine.mod cp_files.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_epr_hyp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_epr_hyp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_rho_atom_types.mod input_section_types.mod qs_environment_types.mod atomic_kind_types.mod base_hooks.mod pw_methods.mod qs_grid_atom.mod message_passing.mod cp_output_handling.mod kinds.mod qs_harmonics_atom.mod cp_log_handling.mod mathconstants.mod util.mod periodic_table.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_epr_hyp.F qs_epr_hyp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:02:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_epr_hyp.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_epr_hyp.mod' due to: qs_epr_hyp.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_epr_hyp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_rho_atom_types.mod input_section_types.mod qs_environment_types.mod atomic_kind_types.mod base_hooks.mod pw_methods.mod qs_grid_atom.mod message_passing.mod cp_output_handling.mod kinds.mod qs_harmonics_atom.mod cp_log_handling.mod mathconstants.mod util.mod periodic_table.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'commutator_rkinetic.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rkinetic.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod qs_neighbor_list_types.mod orbital_pointers.mod ai_kinetic.mod kinds.mod base_hooks.mod qs_integral_utils.mod ai_contraction.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rkinetic.F commutator_rkinetic.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:02:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' commutator_rkinetic.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'commutator_rkinetic.mod' due to: commutator_rkinetic.o /build/cp2k-6PcaEs/cp2k-8.1/src/commutator_rkinetic.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod qs_neighbor_list_types.mod orbital_pointers.mod ai_kinetic.mod kinds.mod base_hooks.mod qs_integral_utils.mod ai_contraction.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_commutators.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_commutators.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_environment_types.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod commutator_rpnl.mod commutator_rkinetic.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_commutators.F qs_commutators.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:02:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_commutators.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_commutators.mod' due to: qs_commutators.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_commutators.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_environment_types.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod commutator_rpnl.mod commutator_rkinetic.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_wfn_mix.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_wfn_mix.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod qs_scf_types.mod qs_mo_types.mod cp_fm_types.mod cp_fm_struct.mod qs_mo_io.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod qs_mo_methods.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:02:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_wfn_mix.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_wfn_mix.mod' due to: qs_scf_wfn_mix.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_wfn_mix.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod qs_scf_types.mod qs_mo_types.mod cp_fm_types.mod cp_fm_struct.mod qs_mo_io.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod qs_mo_methods.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'population_analyses.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/population_analyses.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod scf_control_types.mod cp_fm_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod cp_blacs_env.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod kinds.mod machine.mod particle_methods.mod cp_gemm_interface.mod cp_fm_diag.mod cp_dbcsr_output.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/population_analyses.F population_analyses.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:02:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' population_analyses.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'population_analyses.mod' due to: population_analyses.o /build/cp2k-6PcaEs/cp2k-8.1/src/population_analyses.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod scf_control_types.mod cp_fm_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod cp_blacs_env.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod kinds.mod machine.mod particle_methods.mod cp_gemm_interface.mod cp_fm_diag.mod cp_dbcsr_output.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'preconditioner_apply.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_apply.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod cp_fm_types.mod input_constants.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_cholesky.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_apply.F preconditioner_apply.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' preconditioner_apply.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'preconditioner_apply.mod' due to: preconditioner_apply.o /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_apply.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod cp_fm_types.mod input_constants.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_cholesky.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'preconditioner_makes.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_makes.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod cp_fm_types.mod cp_fm_struct.mod input_constants.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod arnoldi_api.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_makes.F preconditioner_makes.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' preconditioner_makes.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'preconditioner_makes.mod' due to: preconditioner_makes.o /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_makes.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod cp_fm_types.mod cp_fm_struct.mod input_constants.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod arnoldi_api.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'preconditioner_solvers.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_solvers.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod input_constants.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod bibliography.mod kinds.mod base_hooks.mod iterate_matrix.mod arnoldi_api.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_solvers.F preconditioner_solvers.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' preconditioner_solvers.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'preconditioner_solvers.mod' due to: preconditioner_solvers.o /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner_solvers.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod input_constants.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod bibliography.mod kinds.mod base_hooks.mod iterate_matrix.mod arnoldi_api.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'preconditioner.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod qs_mo_types.mod cp_fm_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod preconditioner_apply.mod kinds.mod preconditioner_makes.mod base_hooks.mod qs_mo_methods.mod preconditioner_solvers.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner.F preconditioner.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' preconditioner.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'preconditioner.mod' due to: preconditioner.o /build/cp2k-6PcaEs/cp2k-8.1/src/preconditioner.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod qs_mo_types.mod cp_fm_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod preconditioner_apply.mod kinds.mod preconditioner_makes.mod base_hooks.mod qs_mo_methods.mod preconditioner_solvers.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ot.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod preconditioner_types.mod message_passing.mod cp_dbcsr_cholesky.mod cp_dbcsr_diag.mod preconditioner.mod kinds.mod base_hooks.mod arnoldi_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot.F qs_ot.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ot.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ot.mod' due to: qs_ot.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod preconditioner_types.mod message_passing.mod cp_dbcsr_cholesky.mod cp_dbcsr_diag.mod preconditioner.mod kinds.mod base_hooks.mod arnoldi_api.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ot_minimizer.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_minimizer.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod mathlib.mod qs_ot.mod preconditioner.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_minimizer.F qs_ot_minimizer.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ot_minimizer.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ot_minimizer.mod' due to: qs_ot_minimizer.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_minimizer.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod mathlib.mod qs_ot.mod preconditioner.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ot_eigensolver.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_eigensolver.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod preconditioner_types.mod cp_fm_types.mod cp_dbcsr_cholesky.mod qs_ot.mod cp_dbcsr_operations.mod kinds.mod qs_ot_minimizer.mod base_hooks.mod qs_mo_methods.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ot_eigensolver.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ot_eigensolver.mod' due to: qs_ot_eigensolver.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_eigensolver.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod preconditioner_types.mod cp_fm_types.mod cp_dbcsr_cholesky.mod qs_ot.mod cp_dbcsr_operations.mod kinds.mod qs_ot_minimizer.mod base_hooks.mod qs_mo_methods.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_elec_field.mod' due to: ai_elec_field.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_elec_field.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_elec_field.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_para_types.mod block_p_types.mod basis_set_types.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod ai_elec_field.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_elec_field.F qs_elec_field.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_elec_field.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_elec_field.F:198:13: 198 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_elec_field.mod' due to: qs_elec_field.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_elec_field.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_para_types.mod block_p_types.mod basis_set_types.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod ai_elec_field.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_spin_orbit.mod' due to: ai_spin_orbit.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_spin_orbit.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_spin_orbit.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_para_types.mod block_p_types.mod basis_set_types.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod ai_spin_orbit.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_spin_orbit.F qs_spin_orbit.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_spin_orbit.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_spin_orbit.F:195:13: 195 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_spin_orbit.mod' due to: qs_spin_orbit.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_spin_orbit.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_para_types.mod block_p_types.mod basis_set_types.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod ai_spin_orbit.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_fermi_contact.mod' due to: ai_fermi_contact.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fermi_contact.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fermi_contact.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_para_types.mod block_p_types.mod basis_set_types.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod ai_fermi_contact.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fermi_contact.F qs_fermi_contact.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fermi_contact.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fermi_contact.F:195:13: 195 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fermi_contact.mod' due to: qs_fermi_contact.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fermi_contact.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod qs_neighbor_list_types.mod qs_environment_types.mod cp_para_types.mod block_p_types.mod basis_set_types.mod orbital_pointers.mod cp_dbcsr_output.mod cp_output_handling.mod ai_fermi_contact.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_op.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_op.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod qs_elec_field.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_array_utils.mod kinds.mod qs_moments.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_spin_orbit.mod particle_methods.mod mathconstants.mod cp_gemm_interface.mod qs_fermi_contact.mod cp_cfm_basic_linalg.mod qs_operators_ao.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_op.F qs_linres_op.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_op.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_op.mod' due to: qs_linres_op.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_op.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod qs_elec_field.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_array_utils.mod kinds.mod qs_moments.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_spin_orbit.mod particle_methods.mod mathconstants.mod cp_gemm_interface.mod qs_fermi_contact.mod cp_cfm_basic_linalg.mod qs_operators_ao.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_atom_current.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_atom_current.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod sap_kind_types.mod paw_proj_set_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_rho_atom_types.mod qs_linres_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod qs_linres_op.mod qs_grid_atom.mod message_passing.mod kinds.mod qs_oce_methods.mod qs_harmonics_atom.mod cp_log_handling.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_atom_current.F qs_linres_atom_current.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_atom_current.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_atom_current.mod' due to: qs_linres_atom_current.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_atom_current.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod sap_kind_types.mod paw_proj_set_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_rho_atom_types.mod qs_linres_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod qs_linres_op.mod qs_grid_atom.mod message_passing.mod kinds.mod qs_oce_methods.mod qs_harmonics_atom.mod cp_log_handling.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_current.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod basis_set_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod input_constants.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod qs_linres_op.mod ao_util.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod grid_api.mod cp_array_utils.mod qs_linres_atom_current.mod task_list_methods.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod memory_utilities.mod particle_methods.mod mathconstants.mod rs_pw_interface.mod cp_realspace_grid_cube.mod cube_utils.mod qs_operators_ao.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current.F qs_linres_current.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:03:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_current.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current.F:1289:37: 1289 | END FUNCTION encode_ardbmdarb_func | ^ Warning: ‘func’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current.F:1262:56: 1262 | FUNCTION encode_ardbmdarb_func(idir, ir) RESULT(func) | ^ note: ‘func’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current.F:1450:56: 1450 | TYPE(box_type), DIMENSION(:, :, :), POINTER :: box | ^ Warning: ‘MEM[(struct array03_box_type &)&box].dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: ‘MEM[(struct array03_box_type &)&box].dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: ‘MEM[(struct array03_box_type &)&box].dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: ‘MEM[(struct array03_box_type &)&box].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current.F:1450:56: Warning: ‘MEM[(struct array03_box_type &)&box].dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_current.mod' due to: qs_linres_current.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod basis_set_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod input_constants.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod qs_linres_op.mod ao_util.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod grid_api.mod cp_array_utils.mod qs_linres_atom_current.mod task_list_methods.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod memory_utilities.mod particle_methods.mod mathconstants.mod rs_pw_interface.mod cp_realspace_grid_cube.mod cube_utils.mod qs_operators_ao.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'transport.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/transport.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod particle_list_types.mod transport_env_types.mod atomic_kind_types.mod base_hooks.mod pw_methods.mod cp_dbcsr_cp2k_link.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod particle_methods.mod qs_linres_current.mod cp_realspace_grid_cube.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/transport.F transport.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' transport.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'transport.mod' due to: transport.o /build/cp2k-6PcaEs/cp2k-8.1/src/transport.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod particle_list_types.mod transport_env_types.mod atomic_kind_types.mod base_hooks.mod pw_methods.mod cp_dbcsr_cp2k_link.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod particle_methods.mod qs_linres_current.mod cp_realspace_grid_cube.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eigenvalueproblems.mod' due to: eigenvalueproblems.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_electric_field_gradient.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_electric_field_gradient.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod paw_proj_set_types.mod cp_para_types.mod qs_kind_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_rho_atom_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod orbital_pointers.mod base_hooks.mod qs_ks_methods.mod pw_methods.mod eigenvalueproblems.mod message_passing.mod cp_output_handling.mod kinds.mod qs_harmonics_atom.mod qs_gapw_densities.mod cp_log_handling.mod mathconstants.mod pw_spline_utils.mod pw_poisson_methods.mod util.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_electric_field_gradient.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_electric_field_gradient.F:106:66: 106 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: efg_pw, efg_tensor | ^ Warning: ‘efg_pw.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_electric_field_gradient.mod' due to: qs_electric_field_gradient.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_electric_field_gradient.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod paw_proj_set_types.mod cp_para_types.mod qs_kind_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_rho_atom_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod orbital_pointers.mod base_hooks.mod qs_ks_methods.mod pw_methods.mod eigenvalueproblems.mod message_passing.mod cp_output_handling.mod kinds.mod qs_harmonics_atom.mod qs_gapw_densities.mod cp_log_handling.mod mathconstants.mod pw_spline_utils.mod pw_poisson_methods.mod util.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xray_diffraction.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xray_diffraction.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod paw_proj_set_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod pw_methods.mod message_passing.mod bibliography.mod kinds.mod memory_utilities.mod mathconstants.mod pw_grids.mod util.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xray_diffraction.F xray_diffraction.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xray_diffraction.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xray_diffraction.mod' due to: xray_diffraction.o /build/cp2k-6PcaEs/cp2k-8.1/src/xray_diffraction.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod paw_proj_set_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod orbital_transformation_matrices.mod orbital_pointers.mod base_hooks.mod pw_methods.mod message_passing.mod bibliography.mod kinds.mod memory_utilities.mod mathconstants.mod pw_grids.mod util.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_elf_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_elf_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod pw_types.mod qs_rho_types.mod qs_environment_types.mod pw_pool_types.mod qs_collocate_density.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_elf_methods.F qs_elf_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_elf_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_elf_methods.mod' due to: qs_elf_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_elf_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod qs_ks_types.mod pw_types.mod qs_rho_types.mod qs_environment_types.mod pw_pool_types.mod qs_collocate_density.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kpoint_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_fm_pool_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod cp_fm_types.mod qs_mo_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod cryssym.mod memory_utilities.mod mathconstants.mod cp_gemm_interface.mod fermi_utils.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_methods.F kpoint_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kpoint_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_methods.F:342:26: 342 | nkp_grp = npe/ngr | ^ Warning: ‘ngr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kpoint_methods.mod' due to: kpoint_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_fm_pool_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod cp_fm_types.mod qs_mo_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod cryssym.mod memory_utilities.mod mathconstants.mod cp_gemm_interface.mod fermi_utils.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_csr_write.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_csr_write.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_environment_types.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod kinds.mod base_hooks.mod kpoint_methods.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_csr_write.F qs_scf_csr_write.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_csr_write.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_csr_write.F:275:65: 275 | CALL dbcsr_add(cmatrix, tmatrix, cone, ione) | ^ Warning: ‘tmatrix’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_csr_write.F:273:60: 273 | CALL dbcsr_copy(cmatrix, rmatrix_nosym) | ^ Warning: ‘rmatrix_nosym’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_csr_write.F:274:60: 274 | CALL dbcsr_copy(tmatrix, imatrix_nosym) | ^ Warning: ‘imatrix_nosym’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_csr_write.F:272:68: 272 | CALL dbcsr_desymmetrize(imatrix, imatrix_nosym) | ^ Warning: ‘imatrix’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_csr_write.F:278:70: 278 | CALL dbcsr_convert_dbcsr_to_csr(cmatrix, mat_csr) | ^ Warning: ‘cmatrix’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_csr_write.mod' due to: qs_scf_csr_write.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_csr_write.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_neighbor_list_types.mod kpoint_types.mod qs_environment_types.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod kinds.mod base_hooks.mod kpoint_methods.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_energy_window.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_window.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod cp_fm_struct.mod cp_output_handling.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_collocate_density.mod cp_gemm_interface.mod cp_fm_diag.mod iterate_matrix.mod cp_realspace_grid_cube.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_window.F qs_energy_window.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy_window.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_window.F:142:15: 142 | stride = section_get_ivals(dft_section, "PRINT%ENERGY_WINDOWS%STRIDE") | 1 Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_energy_window.mod' due to: qs_energy_window.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_window.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod qs_subsys_types.mod pw_env_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod cp_fm_struct.mod cp_output_handling.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_collocate_density.mod cp_gemm_interface.mod cp_fm_diag.mod iterate_matrix.mod cp_realspace_grid_cube.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_pdos.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_pdos.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod pw_pool_types.mod cp_fm_types.mod preconditioner_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod atomic_kind_types.mod cp_blacs_env.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod orbital_symbols.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod memory_utilities.mod qs_collocate_density.mod cp_gemm_interface.mod qs_mo_methods.mod cp_fm_diag.mod qs_ot_eigensolver.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_pdos.F qs_pdos.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_pdos.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_pdos.F:888:21: 888 | IF (.NOT. read_r(3, ildos)) THEN | ^ Warning: ‘read_r.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_pdos.F:663:95: 663 | r_ldos_p(ildos)%ldos%pdos_array(imo) = r_ldos_p(ildos)%ldos%pdos_array(imo)*dvol | ^ Warning: ‘dvol’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_pdos.mod' due to: qs_pdos.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_pdos.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod pw_pool_types.mod cp_fm_types.mod preconditioner_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod atomic_kind_types.mod cp_blacs_env.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod orbital_symbols.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod memory_utilities.mod qs_collocate_density.mod cp_gemm_interface.mod qs_mo_methods.mod cp_fm_diag.mod qs_ot_eigensolver.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'molden_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/molden_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod qs_mo_types.mod atomic_kind_types.mod cp_fm_types.mod basis_set_types.mod input_constants.mod orbital_pointers.mod orbital_transformation_matrices.mod cp_output_handling.mod cp_dbcsr_operations.mod mathconstants.mod kinds.mod base_hooks.mod periodic_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/molden_utils.F molden_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' molden_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/molden_utils.F:81:67: 81 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix | ^ Warning: ‘cmatrix.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'molden_utils.mod' due to: molden_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/molden_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod qs_mo_types.mod atomic_kind_types.mod cp_fm_types.mod basis_set_types.mod input_constants.mod orbital_pointers.mod orbital_transformation_matrices.mod cp_output_handling.mod cp_dbcsr_operations.mod mathconstants.mod kinds.mod base_hooks.mod periodic_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mao_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mao_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod cp_fm_types.mod basis_set_container_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod qs_interactions.mod kinds.mod kpoint_methods.mod cp_fm_diag.mod iterate_matrix.mod lapack.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mao_methods.F mao_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mao_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mao_methods.mod' due to: mao_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/mao_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod cp_fm_types.mod basis_set_container_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod qs_interactions.mod kinds.mod kpoint_methods.mod cp_fm_diag.mod iterate_matrix.mod lapack.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mao_optimizer.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mao_optimizer.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_dbcsr_operations.mod kinds.mod base_hooks.mod mao_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mao_optimizer.F mao_optimizer.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mao_optimizer.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mao_optimizer.mod' due to: mao_optimizer.o /build/cp2k-6PcaEs/cp2k-8.1/src/mao_optimizer.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_dbcsr_operations.mod kinds.mod base_hooks.mod mao_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mao_basis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mao_basis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_ks_types.mod qs_rho_types.mod qs_environment_types.mod atomic_kind_types.mod particle_methods.mod cp_dbcsr_operations.mod qs_overlap.mod kinds.mod base_hooks.mod qs_neighbor_lists.mod mao_optimizer.mod mao_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mao_basis.F mao_basis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mao_basis.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mao_basis.mod' due to: mao_basis.o /build/cp2k-6PcaEs/cp2k-8.1/src/mao_basis.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_ks_types.mod qs_rho_types.mod qs_environment_types.mod atomic_kind_types.mod particle_methods.mod cp_dbcsr_operations.mod qs_overlap.mod kinds.mod base_hooks.mod qs_neighbor_lists.mod mao_optimizer.mod mao_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'minbas_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/minbas_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod kinds.mod cp_fm_basic_linalg.mod particle_methods.mod cp_gemm_interface.mod cp_fm_diag.mod mao_basis.mod lapack.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/minbas_methods.F minbas_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minbas_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'minbas_methods.mod' due to: minbas_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/minbas_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod kinds.mod cp_fm_basic_linalg.mod particle_methods.mod cp_gemm_interface.mod cp_fm_diag.mod mao_basis.mod lapack.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'minbas_wfn_analysis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/minbas_wfn_analysis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod atomic_kind_types.mod cp_blacs_env.mod molden_utils.mod mulliken.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod atomic_charges.mod qs_collocate_density.mod particle_methods.mod cp_gemm_interface.mod qs_mo_methods.mod iterate_matrix.mod cp_realspace_grid_cube.mod minbas_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minbas_wfn_analysis.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'minbas_wfn_analysis.mod' due to: minbas_wfn_analysis.o /build/cp2k-6PcaEs/cp2k-8.1/src/minbas_wfn_analysis.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod atomic_kind_types.mod cp_blacs_env.mod molden_utils.mod mulliken.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod atomic_charges.mod qs_collocate_density.mod particle_methods.mod cp_gemm_interface.mod qs_mo_methods.mod iterate_matrix.mod cp_realspace_grid_cube.mod minbas_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'stm_images.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/stm_images.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod pw_env_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_output_handling.mod cp_array_utils.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_collocate_density.mod cp_realspace_grid_cube.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/stm_images.F stm_images.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' stm_images.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'stm_images.mod' due to: stm_images.o /build/cp2k-6PcaEs/cp2k-8.1/src/stm_images.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod pw_env_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_output_handling.mod cp_array_utils.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_collocate_density.mod cp_realspace_grid_cube.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'uff_vdw_radii_table.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/uff_vdw_radii_table.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/uff_vdw_radii_table.F uff_vdw_radii_table.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' uff_vdw_radii_table.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'uff_vdw_radii_table.mod' due to: uff_vdw_radii_table.o /build/cp2k-6PcaEs/cp2k-8.1/src/uff_vdw_radii_table.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_resp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod pw_methods.mod uff_vdw_radii_table.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod machine.mod atomic_charges.mod cp_units.mod memory_utilities.mod qs_collocate_density.mod mathconstants.mod pw_poisson_methods.mod cp_realspace_grid_cube.mod kahan_sum.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F qs_resp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:04:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_resp.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:1111:25: 1111 | IF (dist(m) < rmin + delta) not_in_range(m, 1) = .TRUE. | ^ Warning: ‘rmin’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:1048:93: 1048 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & | ^ note: ‘rmin’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:1112:25: 1112 | IF (dist(m) > rmax - delta) not_in_range(m, 2) = .TRUE. | ^ Warning: ‘rmax’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:1048:87: 1048 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & | ^ note: ‘rmax’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:1150:22: 1150 | IF (in_z*in_y*in_x == 0) CYCLE | ^ Warning: ‘in_z’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:1044:83: 1044 | ikind, in_x, in_y, in_z, jx, jy, jz, & | ^ note: ‘in_z’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:1150:22: 1150 | IF (in_z*in_y*in_x == 0) CYCLE | ^ Warning: ‘in_y’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:1044:77: 1044 | ikind, in_x, in_y, in_z, jx, jy, jz, & | ^ note: ‘in_y’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:1150:22: 1150 | IF (in_z*in_y*in_x == 0) CYCLE | ^ Warning: ‘in_x’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:1044:71: 1044 | ikind, in_x, in_y, in_z, jx, jy, jz, & | ^ note: ‘in_x’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:858:16: 858 | IF (dist(i) < rmin + delta) not_in_range(i, 1) = .TRUE. | ^ Warning: ‘rmin’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:777:99: 777 | REAL(KIND=dp) :: delta, dh(3, 3), dvol, r(3), rmax, rmin, & | ^ note: ‘rmin’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:859:16: 859 | IF (dist(i) > rmax - delta) not_in_range(i, 2) = .TRUE. | ^ Warning: ‘rmax’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F:777:93: 777 | REAL(KIND=dp) :: delta, dh(3, 3), dvol, r(3), rmax, rmin, & | ^ note: ‘rmax’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_resp.mod' due to: qs_resp.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_resp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod pw_methods.mod uff_vdw_radii_table.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod machine.mod atomic_charges.mod cp_units.mod memory_utilities.mod qs_collocate_density.mod mathconstants.mod pw_poisson_methods.mod cp_realspace_grid_cube.mod kahan_sum.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'voronoi_interface.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/voronoi_interface.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod message_passing.mod kinds.mod bibliography.mod cp_log_handling.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/voronoi_interface.F voronoi_interface.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' voronoi_interface.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'voronoi_interface.mod' due to: voronoi_interface.o /build/cp2k-6PcaEs/cp2k-8.1/src/voronoi_interface.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod input_section_types.mod qs_environment_types.mod particle_list_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod message_passing.mod kinds.mod bibliography.mod cp_log_handling.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mao_wfn_analysis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mao_wfn_analysis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod mao_methods.mod cp_dbcsr_cp2k_link.mod message_passing.mod cp_dbcsr_cholesky.mod qs_overlap.mod bibliography.mod kinds.mod qs_neighbor_lists.mod mao_optimizer.mod mathlib.mod particle_methods.mod iterate_matrix.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mao_wfn_analysis.F mao_wfn_analysis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mao_wfn_analysis.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mao_wfn_analysis.F:106:85: 106 | qmatbc, raq, sab, selnABC, sinv, & | ^ Warning: ‘selnabc.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mao_wfn_analysis.F:106:85: Warning: ‘selnabc.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mao_wfn_analysis.F:106:85: Warning: ‘selnabc.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mao_wfn_analysis.mod' due to: mao_wfn_analysis.o /build/cp2k-6PcaEs/cp2k-8.1/src/mao_wfn_analysis.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod mao_methods.mod cp_dbcsr_cp2k_link.mod message_passing.mod cp_dbcsr_cholesky.mod qs_overlap.mod bibliography.mod kinds.mod qs_neighbor_lists.mod mao_optimizer.mod mathlib.mod particle_methods.mod iterate_matrix.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_gcp_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod qs_gcp_types.mod input_section_types.mod cp_parser_types.mod qs_environment_types.mod cp_para_types.mod basis_set_types.mod cp_parser_methods.mod mathconstants.mod kinds.mod base_hooks.mod sto_ng.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_utils.F qs_gcp_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gcp_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_gcp_utils.mod' due to: qs_gcp_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod qs_gcp_types.mod input_section_types.mod cp_parser_types.mod qs_environment_types.mod cp_para_types.mod basis_set_types.mod cp_parser_methods.mod mathconstants.mod kinds.mod base_hooks.mod sto_ng.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'almo_scf_env_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 almo_scf_types.mod input_section_types.mod cp_control_types.mod qs_environment_types.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_env_methods.F almo_scf_env_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_env_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'almo_scf_env_methods.mod' due to: almo_scf_env_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 almo_scf_types.mod input_section_types.mod cp_control_types.mod qs_environment_types.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_expns3_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_expns3_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod semi_empirical_expns3_types.mod cp_control_types.mod semi_empirical_types.mod input_constants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod semi_empirical_int3_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_expns3_methods.F semi_empirical_expns3_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_expns3_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'semi_empirical_expns3_methods.mod' due to: semi_empirical_expns3_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_expns3_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod semi_empirical_expns3_types.mod cp_control_types.mod semi_empirical_types.mod input_constants.mod kinds.mod base_hooks.mod semi_empirical_int_arrays.mod semi_empirical_utils.mod semi_empirical_int3_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kg_vertex_coloring_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/kg_vertex_coloring_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 kg_environment_types.mod input_constants.mod cp_min_heap.mod bibliography.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/kg_vertex_coloring_methods.F kg_vertex_coloring_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kg_vertex_coloring_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/kg_vertex_coloring_methods.F:201:54: 201 | IF (newcolor .GT. ncolors) ncolors = newcolor | ^ Warning: ‘newcolor’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/kg_vertex_coloring_methods.F:174:89: 174 | INTEGER :: color, handle, i, j, newcolor, & | ^ note: ‘newcolor’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/kg_vertex_coloring_methods.F:120:36: 120 | nneighbors = nneighbors + 1 | ^ Warning: ‘nneighbors’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/kg_vertex_coloring_methods.F:77:81: 77 | maxdegree, nneighbors, nnodes | ^ note: ‘nneighbors’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kg_vertex_coloring_methods.mod' due to: kg_vertex_coloring_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/kg_vertex_coloring_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 kg_environment_types.mod input_constants.mod cp_min_heap.mod bibliography.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kg_environment.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/kg_environment.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_types.mod kg_environment_types.mod qs_kind_types.mod cell_types.mod integration_grid_types.mod task_list_types.mod input_section_types.mod distribution_1d_types.mod external_potential_types.mod qs_environment_types.mod distribution_2d_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod lri_environment_init.mod qs_grid_atom.mod message_passing.mod bibliography.mod kinds.mod qs_neighbor_lists.mod string_utilities.mod cp_log_handling.mod cp_files.mod kg_vertex_coloring_methods.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/kg_environment.F kg_environment.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kg_environment.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kg_environment.mod' due to: kg_environment.o /build/cp2k-6PcaEs/cp2k-8.1/src/kg_environment.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_types.mod kg_environment_types.mod qs_kind_types.mod cell_types.mod integration_grid_types.mod task_list_types.mod input_section_types.mod distribution_1d_types.mod external_potential_types.mod qs_environment_types.mod distribution_2d_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod lri_environment_init.mod qs_grid_atom.mod message_passing.mod bibliography.mod kinds.mod qs_neighbor_lists.mod string_utilities.mod cp_log_handling.mod cp_files.mod kg_vertex_coloring_methods.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod cp_fm_types.mod qs_density_mixing_types.mod cp_fm_struct.mod input_constants.mod message_passing.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_methods.F qs_scf_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_methods.mod' due to: qs_scf_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod cp_para_types.mod cp_fm_types.mod qs_density_mixing_types.mod cp_fm_struct.mod input_constants.mod message_passing.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_mixing_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mixing_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod qs_rho_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod cp_dbcsr_cp2k_link.mod message_passing.mod qs_scf_methods.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mixing_utils.F qs_mixing_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mixing_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mixing_utils.F:125:80: 125 | max_shell, na, natom, nbuffer, nel, & | ^ Warning: ‘natom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mixing_utils.F:233:39: 233 | mixing_store%ubroy = 0.0_dp | ^ Warning: ‘na’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mixing_utils.F:229:66: 229 | ALLOCATE (mixing_store%dfbroy(na, max_shell, nbuffer)) | ^ Warning: ‘max_shell’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_mixing_utils.mod' due to: qs_mixing_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mixing_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod distribution_1d_types.mod cp_control_types.mod qs_rho_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod cp_dbcsr_cp2k_link.mod message_passing.mod qs_scf_methods.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_diis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_diis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod cp_para_types.mod qs_mo_types.mod cp_fm_types.mod qs_diis_types.mod cp_fm_struct.mod mathlib.mod string_utilities.mod cp_output_handling.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_diis.F qs_diis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_diis.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_diis.mod' due to: qs_diis.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_diis.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod cp_para_types.mod qs_mo_types.mod cp_fm_types.mod qs_diis_types.mod cp_fm_struct.mod mathlib.mod string_utilities.mod cp_output_handling.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_block_davidson.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_block_davidson.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod qs_mo_types.mod cp_fm_types.mod qs_block_davidson_types.mod cp_fm_struct.mod machine.mod message_passing.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod preconditioner.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_block_davidson.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_block_davidson.F:884:43: 884 | i_first = inotconv_set(j, 1) | ^ Warning: ‘inotconv_set.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_block_davidson.F:885:42: 885 | i_last = inotconv_set(j, 2) | ^ Warning: ‘inotconv_set.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_block_davidson.mod' due to: qs_scf_block_davidson.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_block_davidson.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 preconditioner_types.mod qs_mo_types.mod cp_fm_types.mod qs_block_davidson_types.mod cp_fm_struct.mod machine.mod message_passing.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod preconditioner.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_lanczos.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_lanczos.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 scf_control_types.mod qs_scf_types.mod qs_mo_types.mod cp_fm_types.mod cp_fm_struct.mod message_passing.mod cp_fm_cholesky.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod cp_fm_basic_linalg.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_lanczos.F qs_scf_lanczos.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_lanczos.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_lanczos.mod' due to: qs_scf_lanczos.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_lanczos.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 scf_control_types.mod qs_scf_types.mod qs_mo_types.mod cp_fm_types.mod cp_fm_struct.mod message_passing.mod cp_fm_cholesky.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod cp_fm_basic_linalg.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_gspace_mixing.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gspace_mixing.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod cp_control_types.mod qs_rho_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod mathlib.mod message_passing.mod qs_scf_methods.mod kinds.mod base_hooks.mod pw_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gspace_mixing.F qs_gspace_mixing.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:05:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gspace_mixing.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gspace_mixing.F:713:106: 713 | mixing_store%res_buffer(ib, ispin)%cc(:) = mixing_store%res_buffer(ib, ispin)%cc(:)/delta_norm | ^ Warning: ‘ib’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gspace_mixing.F:895:96: 895 | COMPLEX(dp), ALLOCATABLE, DIMENSION(:) :: delta_res_p, res_rho, res_rho_p, tmp | ^ Warning: ‘tmp.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gspace_mixing.F:895:71: 895 | COMPLEX(dp), ALLOCATABLE, DIMENSION(:) :: delta_res_p, res_rho, res_rho_p, tmp | ^ Warning: ‘delta_res_p.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gspace_mixing.F:903:76: 903 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: a, au, av, b, bq, work | ^ Warning: ‘bq.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gspace_mixing.F:1083:23: 1083 | bq = 0.0_dp | ^ Warning: ‘bq.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gspace_mixing.F:903:76: 903 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: a, au, av, b, bq, work | ^ Warning: ‘bq.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gspace_mixing.F:897:78: 897 | kb, kkb, lwork, nb, nbuffer, ng, nspin | ^ Warning: ‘nb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_gspace_mixing.mod' due to: qs_gspace_mixing.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gspace_mixing.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod cp_control_types.mod qs_rho_types.mod pw_types.mod qs_environment_types.mod cp_para_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod mathlib.mod message_passing.mod qs_scf_methods.mod kinds.mod base_hooks.mod pw_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_diagonalization.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_diagonalization.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod qs_rho_methods.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_array_utils.mod qs_mixing_utils.mod kinds.mod qs_diis.mod kpoint_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod qs_matrix_pools.mod qs_scf_block_davidson.mod cp_cfm_diag.mod preconditioner.mod cp_gemm_interface.mod qs_mo_methods.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_scf_lanczos.mod qs_mo_occupation.mod cp_cfm_basic_linalg.mod qs_ot_eigensolver.mod qs_gspace_mixing.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_diagonalization.F qs_scf_diagonalization.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_diagonalization.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_diagonalization.mod' due to: qs_scf_diagonalization.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_diagonalization.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod qs_rho_methods.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_array_utils.mod qs_mixing_utils.mod kinds.mod qs_diis.mod kpoint_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod qs_matrix_pools.mod qs_scf_block_davidson.mod cp_cfm_diag.mod preconditioner.mod cp_gemm_interface.mod qs_mo_methods.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_scf_lanczos.mod qs_mo_occupation.mod cp_cfm_basic_linalg.mod qs_ot_eigensolver.mod qs_gspace_mixing.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_mom_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mom_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod bibliography.mod kinds.mod string_utilities.mod cp_fm_basic_linalg.mod cp_gemm_interface.mod qs_mo_methods.mod util.mod qs_scf_diagonalization.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mom_methods.F qs_mom_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_mom_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_mom_methods.mod' due to: qs_mom_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_mom_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_mo_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod bibliography.mod kinds.mod string_utilities.mod cp_fm_basic_linalg.mod cp_gemm_interface.mod qs_mo_methods.mod util.mod qs_scf_diagonalization.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_wf_history_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_wf_history_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_rho_types.mod pw_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod pw_pool_types.mod cp_fm_types.mod qs_wf_history_types.mod qs_environment_types.mod qs_mo_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod qs_rho_methods.mod cp_fm_struct.mod cp_output_handling.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod mathlib.mod cp_gemm_interface.mod qs_mo_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_wf_history_methods.F qs_wf_history_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_wf_history_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_wf_history_methods.mod' due to: qs_wf_history_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_wf_history_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_rho_types.mod pw_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod pw_pool_types.mod cp_fm_types.mod qs_wf_history_types.mod qs_environment_types.mod qs_mo_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod qs_rho_methods.mod cp_fm_struct.mod cp_output_handling.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod mathlib.mod cp_gemm_interface.mod qs_mo_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kpoint_io.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_io.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod basis_set_types.mod atomic_kind_types.mod qs_dftb_types.mod orbital_pointers.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod cp_log_handling.mod cp_files.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_io.F kpoint_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kpoint_io.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kpoint_io.mod' due to: kpoint_io.o /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_io.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod basis_set_types.mod atomic_kind_types.mod qs_dftb_types.mod orbital_pointers.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod cp_log_handling.mod cp_files.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_initial_guess.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_initial_guess.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod xtb_types.mod input_section_types.mod external_potential_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod atomic_kind_types.mod input_constants.mod atom_kind_orbitals.mod qs_mo_io.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_methods.mod cp_fm_struct.mod qs_mom_methods.mod qs_wf_history_methods.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod cp_log_handling.mod particle_methods.mod qs_mo_methods.mod cp_fm_cholesky.mod qs_mo_occupation.mod kpoint_io.mod util.mod input_cp2k_hfx.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_initial_guess.F qs_initial_guess.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_initial_guess.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_initial_guess.F:448:13: 448 | IF (not_read > 1) THEN | ^ Warning: ‘not_read’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_initial_guess.mod' due to: qs_initial_guess.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_initial_guess.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod xtb_types.mod input_section_types.mod external_potential_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod atomic_kind_types.mod input_constants.mod atom_kind_orbitals.mod qs_mo_io.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_methods.mod cp_fm_struct.mod qs_mom_methods.mod qs_wf_history_methods.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod cp_log_handling.mod particle_methods.mod qs_mo_methods.mod cp_fm_cholesky.mod qs_mo_occupation.mod kpoint_io.mod util.mod input_cp2k_hfx.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_qs.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_qs.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod dm_ls_scf_types.mod qs_environment_types.mod qs_energy_types.mod particle_list_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod pw_methods.mod qs_rho_methods.mod cp_dbcsr_cp2k_link.mod qs_mixing_utils.mod kinds.mod cp_log_handling.mod qs_collocate_density.mod cp_realspace_grid_cube.mod qs_initial_guess.mod qs_gspace_mixing.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf_qs.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_qs.mod' due to: dm_ls_scf_qs.o /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_qs.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod dm_ls_scf_types.mod qs_environment_types.mod qs_energy_types.mod particle_list_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod pw_methods.mod qs_rho_methods.mod cp_dbcsr_cp2k_link.mod qs_mixing_utils.mod kinds.mod cp_log_handling.mod qs_collocate_density.mod cp_realspace_grid_cube.mod qs_initial_guess.mod qs_gspace_mixing.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod machine.mod mathlib.mod input_constants.mod kinds.mod base_hooks.mod dm_ls_scf_qs.mod iterate_matrix.mod arnoldi_api.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_methods.F dm_ls_scf_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_methods.F:1372:79: 1372 | xr = (xr*xr)*(4*xr - 3*xr*xr) + gamma_values(k)*xr*xr*((1 - xr)**2) | ^ Warning: ‘scaled_lumo_bound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_methods.F:755:89: 755 | mu_a, mu_b, mu_c, mu_fa, mu_fc, occ_matrix, scaled_homo_bound, scaled_lumo_bound, t1, t2, & | ^ note: ‘scaled_lumo_bound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_methods.F:1372:79: 1372 | xr = (xr*xr)*(4*xr - 3*xr*xr) + gamma_values(k)*xr*xr*((1 - xr)**2) | ^ Warning: ‘scaled_homo_bound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_methods.F:755:70: 755 | mu_a, mu_b, mu_c, mu_fa, mu_fc, occ_matrix, scaled_homo_bound, scaled_lumo_bound, t1, t2, & | ^ note: ‘scaled_homo_bound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_methods.F:440:19: 440 | IF (ABS(mu_high - mu_low) < threshold) EXIT | ^ Warning: ‘mu_low’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_methods.F:440:19: Warning: ‘mu_high’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_methods.mod' due to: dm_ls_scf_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod machine.mod mathlib.mod input_constants.mod kinds.mod base_hooks.mod dm_ls_scf_qs.mod iterate_matrix.mod arnoldi_api.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_potentials.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_potentials.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod atomic_kind_types.mod basis_set_types.mod mathlib.mod orbital_pointers.mod ai_overlap.mod mathconstants.mod kinds.mod base_hooks.mod ao_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_potentials.F pao_potentials.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_potentials.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pao_potentials.F:119:76: 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab | ^ Warning: ‘new_block_d.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_potentials.F:231:83: 231 | iset=iset, ishell=ishell, jset=jset, jshell=jshell) | ^ Warning: ‘new_block_d.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_potentials.F:231:83: Warning: ‘new_block_d.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_potentials.F:231:83: Warning: ‘new_block_d.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_potentials.F:119:76: 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab | ^ Warning: ‘new_block_d.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_potentials.mod' due to: pao_potentials.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_potentials.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod atomic_kind_types.mod basis_set_types.mod mathlib.mod orbital_pointers.mod ai_overlap.mod mathconstants.mod kinds.mod base_hooks.mod ao_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_ml_descriptor.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod pao_types.mod atomic_kind_types.mod basis_set_types.mod mathlib.mod util.mod mathconstants.mod kinds.mod pao_input.mod base_hooks.mod pao_potentials.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F pao_ml_descriptor.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_ml_descriptor.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F:316:100: 316 | block_M(:, :) = block_M(:, :) + w*MATMUL(S_evecs(:, k:k), TRANSPOSE(S_evecs(:, k:k))) | ^ Warning: ‘block_m.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F:214:67: 214 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs | ^ note: ‘block_m.dim[1].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F:214:67: Warning: ‘block_m.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F:214:67: Warning: ‘block_m.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F:214:67: Warning: ‘block_m.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F:111:67: 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs | ^ Warning: ‘block_m.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F:111:67: Warning: ‘block_m.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F:111:67: Warning: ‘block_m.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F:111:67: Warning: ‘block_m.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_ml_descriptor.mod' due to: pao_ml_descriptor.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_descriptor.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod pao_types.mod atomic_kind_types.mod basis_set_types.mod mathlib.mod util.mod mathconstants.mod kinds.mod pao_input.mod base_hooks.mod pao_potentials.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_ml_neuralnet.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_neuralnet.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod pao_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_ml_neuralnet.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_ml_neuralnet.mod' due to: pao_ml_neuralnet.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_neuralnet.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod pao_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_ml_gaussprocess.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_gaussprocess.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pao_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_ml_gaussprocess.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_ml_gaussprocess.mod' due to: pao_ml_gaussprocess.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml_gaussprocess.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pao_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_param_exp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_exp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod pao_types.mod qs_environment_types.mod mathlib.mod kinds.mod base_hooks.mod pao_potentials.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_exp.F pao_param_exp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:06:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_param_exp.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_param_exp.mod' due to: pao_param_exp.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_exp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod pao_types.mod qs_environment_types.mod mathlib.mod kinds.mod base_hooks.mod pao_potentials.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_param_fock.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_fock.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pao_types.mod mathlib.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_fock.F pao_param_fock.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_param_fock.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_fock.F:155:83: 155 | D2(i, i) = D2(i, i) - 2.0_dp*alpha*diff/beta**2*EXP(-(diff/beta)**2) | ^ Warning: ‘beta’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_fock.F:155:83: Warning: ‘alpha’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_param_fock.mod' due to: pao_param_fock.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_fock.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pao_types.mod mathlib.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_param_gth.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_gth.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod cell_types.mod pao_types.mod dm_ls_scf_types.mod qs_environment_types.mod atomic_kind_types.mod machine.mod message_passing.mod orbital_pointers.mod pao_param_fock.mod kinds.mod base_hooks.mod iterate_matrix.mod arnoldi_api.mod pao_potentials.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_gth.F pao_param_gth.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_param_gth.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_param_gth.mod' due to: pao_param_gth.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_gth.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod cell_types.mod pao_types.mod dm_ls_scf_types.mod qs_environment_types.mod atomic_kind_types.mod machine.mod message_passing.mod orbital_pointers.mod pao_param_fock.mod kinds.mod base_hooks.mod iterate_matrix.mod arnoldi_api.mod pao_potentials.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_linpot_full.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_linpot_full.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_linpot_full.F pao_linpot_full.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_linpot_full.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_linpot_full.mod' due to: pao_linpot_full.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_linpot_full.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod qs_environment_types.mod basis_set_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_linpot_rotinv.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_linpot_rotinv.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod atomic_kind_types.mod basis_set_types.mod mathlib.mod orbital_pointers.mod ai_overlap.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_linpot_rotinv.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_linpot_rotinv.mod' due to: pao_linpot_rotinv.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_linpot_rotinv.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_environment_types.mod atomic_kind_types.mod basis_set_types.mod mathlib.mod orbital_pointers.mod ai_overlap.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_param_linpot.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_linpot.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pao_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod pao_input.mod base_hooks.mod pao_linpot_full.mod message_passing.mod kinds.mod pao_linpot_rotinv.mod pao_potentials.mod machine.mod mathlib.mod pao_param_fock.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_linpot.F pao_param_linpot.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_param_linpot.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_param_linpot.mod' due to: pao_param_linpot.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param_linpot.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pao_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod pao_input.mod base_hooks.mod pao_linpot_full.mod message_passing.mod kinds.mod pao_linpot_rotinv.mod pao_potentials.mod machine.mod mathlib.mod pao_param_fock.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_param.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pao_types.mod dm_ls_scf_types.mod qs_environment_types.mod message_passing.mod pao_param_exp.mod pao_param_gth.mod kinds.mod pao_input.mod base_hooks.mod pao_param_linpot.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param.F pao_param.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_param.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_param.mod' due to: pao_param.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_param.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pao_types.mod dm_ls_scf_types.mod qs_environment_types.mod message_passing.mod pao_param_exp.mod pao_param_gth.mod kinds.mod pao_input.mod base_hooks.mod pao_param_linpot.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_io.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_io.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pao_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod pao_input.mod base_hooks.mod message_passing.mod pao_param.mod cp_output_handling.mod kinds.mod cp_log_handling.mod cp_files.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_io.F pao_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_io.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_io.mod' due to: pao_io.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_io.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pao_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod pao_input.mod base_hooks.mod message_passing.mod pao_param.mod cp_output_handling.mod kinds.mod cp_log_handling.mod cp_files.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_ml.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod cell_types.mod pao_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod machine.mod message_passing.mod pao_ml_descriptor.mod kinds.mod pao_input.mod base_hooks.mod pao_ml_neuralnet.mod pao_ml_gaussprocess.mod pao_io.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml.F pao_ml.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_ml.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_ml.mod' due to: pao_ml.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_ml.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod cell_types.mod pao_types.mod cp_para_types.mod atomic_kind_types.mod qs_environment_types.mod machine.mod message_passing.mod pao_ml_descriptor.mod kinds.mod pao_input.mod base_hooks.mod pao_ml_neuralnet.mod pao_ml_gaussprocess.mod pao_io.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pao_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod dm_ls_scf_types.mod qs_environment_types.mod qs_energy_types.mod basis_set_types.mod atomic_kind_types.mod base_hooks.mod dm_ls_scf_qs.mod dm_ls_scf_methods.mod qs_ks_methods.mod ao_util.mod qs_rho_methods.mod pao_ml.mod message_passing.mod pao_param.mod bibliography.mod kinds.mod cp_log_handling.mod machine.mod mathlib.mod iterate_matrix.mod qs_initial_guess.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_methods.F pao_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pao_methods.F:1023:32: 1023 | block_X(i, j) = old_Xij | ^ Warning: ‘old_xij’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/pao_methods.F:975:54: 975 | delta = ABS(Gij_num - block_G(i, j)) | ^ Warning: ‘gij_num’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_methods.mod' due to: pao_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pao_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod dm_ls_scf_types.mod qs_environment_types.mod qs_energy_types.mod basis_set_types.mod atomic_kind_types.mod base_hooks.mod dm_ls_scf_qs.mod dm_ls_scf_methods.mod qs_ks_methods.mod ao_util.mod qs_rho_methods.mod pao_ml.mod message_passing.mod pao_param.mod bibliography.mod kinds.mod cp_log_handling.mod machine.mod mathlib.mod iterate_matrix.mod qs_initial_guess.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_optimizer.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_optimizer.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod pao_input.mod base_hooks.mod arnoldi_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_optimizer.F pao_optimizer.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_optimizer.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/pao_optimizer.F:197:13: 197 | IF (beta < 0.0_dp) THEN | ^ Warning: ‘beta’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_optimizer.mod' due to: pao_optimizer.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_optimizer.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pao_types.mod kinds.mod pao_input.mod base_hooks.mod arnoldi_api.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pao_main.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pao_main.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pao_types.mod dm_ls_scf_types.mod qs_environment_types.mod machine.mod pao_methods.mod pao_ml.mod pao_optimizer.mod pao_param.mod bibliography.mod kinds.mod pao_input.mod base_hooks.mod linesearch.mod cp_external_control.mod pao_io.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pao_main.F pao_main.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pao_main.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pao_main.mod' due to: pao_main.o /build/cp2k-6PcaEs/cp2k-8.1/src/pao_main.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pao_types.mod dm_ls_scf_types.mod qs_environment_types.mod machine.mod pao_methods.mod pao_ml.mod pao_optimizer.mod pao_param.mod bibliography.mod kinds.mod pao_input.mod base_hooks.mod linesearch.mod cp_external_control.mod pao_io.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pexsi_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pexsi_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pexsi_types.mod qs_ks_types.mod dm_ls_scf_types.mod qs_environment_types.mod qs_energy_types.mod pexsi_interface.mod cp_dbcsr_cp2k_link.mod message_passing.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod dm_ls_scf_qs.mod arnoldi_api.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pexsi_methods.F pexsi_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pexsi_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pexsi_methods.mod' due to: pexsi_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/pexsi_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pexsi_types.mod qs_ks_types.mod dm_ls_scf_types.mod qs_environment_types.mod qs_energy_types.mod pexsi_interface.mod cp_dbcsr_cp2k_link.mod message_passing.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod dm_ls_scf_qs.mod arnoldi_api.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_create.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_create.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_keyword_types.mod molecule_types.mod cp_control_types.mod pexsi_types.mod qs_density_mixing_types.mod input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod input_enumeration_types.mod input_constants.mod base_hooks.mod pao_main.mod cp_para_env.mod pexsi_methods.mod bibliography.mod kinds.mod cp_log_handling.mod machine.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_create.F dm_ls_scf_create.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:07:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf_create.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_create.mod' due to: dm_ls_scf_create.o /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_create.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_keyword_types.mod molecule_types.mod cp_control_types.mod pexsi_types.mod qs_density_mixing_types.mod input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod input_enumeration_types.mod input_constants.mod base_hooks.mod pao_main.mod cp_para_env.mod pexsi_methods.mod bibliography.mod kinds.mod cp_log_handling.mod machine.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dispersion_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod qs_environment_types.mod atomic_kind_types.mod qs_dispersion_types.mod input_constants.mod cp_output_handling.mod qs_dispersion_pairpot.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_utils.F qs_dispersion_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dispersion_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dispersion_utils.mod' due to: qs_dispersion_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dispersion_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod input_section_types.mod qs_environment_types.mod atomic_kind_types.mod qs_dispersion_types.mod input_constants.mod cp_output_handling.mod qs_dispersion_pairpot.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ec_environment.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ec_environment.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_dispersion_types.mod qs_kind_types.mod cp_control_types.mod ec_env_types.mod input_section_types.mod basis_set_container_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod qs_dispersion_pairpot.mod qs_interactions.mod kinds.mod string_utilities.mod qs_dispersion_nonloc.mod input_cp2k_check.mod qs_dispersion_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ec_environment.F ec_environment.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ec_environment.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ec_environment.mod' due to: ec_environment.o /build/cp2k-6PcaEs/cp2k-8.1/src/ec_environment.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_dispersion_types.mod qs_kind_types.mod cp_control_types.mod ec_env_types.mod input_section_types.mod basis_set_container_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod qs_dispersion_pairpot.mod qs_interactions.mod kinds.mod string_utilities.mod qs_dispersion_nonloc.mod input_cp2k_check.mod qs_dispersion_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_energy_matrix_w.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_matrix_w.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod kpoint_types.mod qs_environment_types.mod qs_mo_types.mod cp_fm_types.mod cp_fm_struct.mod kinds.mod base_hooks.mod kpoint_methods.mod qs_ks_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_matrix_w.F qs_energy_matrix_w.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy_matrix_w.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_energy_matrix_w.mod' due to: qs_energy_matrix_w.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_matrix_w.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_neighbor_list_types.mod cp_control_types.mod qs_rho_types.mod scf_control_types.mod kpoint_types.mod qs_environment_types.mod qs_mo_types.mod cp_fm_types.mod cp_fm_struct.mod kinds.mod base_hooks.mod kpoint_methods.mod qs_ks_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_verfc.mod' due to: ai_verfc.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'core_ae.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/core_ae.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod atomic_kind_types.mod qs_force_types.mod orbital_pointers.mod kinds.mod base_hooks.mod virial_methods.mod ai_verfc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/core_ae.F core_ae.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' core_ae.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'core_ae.mod' due to: core_ae.o /build/cp2k-6PcaEs/cp2k-8.1/src/core_ae.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod atomic_kind_types.mod qs_force_types.mod orbital_pointers.mod kinds.mod base_hooks.mod virial_methods.mod ai_verfc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kg_tnadd_mat.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/kg_tnadd_mat.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod atomic_kind_types.mod qs_force_types.mod kg_environment_types.mod basis_set_types.mod ai_overlap_ppl.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod particle_methods.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod virial_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kg_tnadd_mat.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kg_tnadd_mat.mod' due to: kg_tnadd_mat.o /build/cp2k-6PcaEs/cp2k-8.1/src/kg_tnadd_mat.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod qs_neighbor_list_types.mod virial_types.mod external_potential_types.mod atomic_kind_types.mod qs_force_types.mod kg_environment_types.mod basis_set_types.mod ai_overlap_ppl.mod cp_dbcsr_cp2k_link.mod orbital_pointers.mod particle_methods.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod virial_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'core_ppnl.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod qs_neighbor_list_types.mod sap_kind_types.mod virial_types.mod external_potential_types.mod atomic_kind_types.mod qs_force_types.mod orbital_pointers.mod ai_overlap.mod kinds.mod base_hooks.mod virial_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F core_ppnl.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' core_ppnl.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:106:89: 106 | ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, maxsgf, na, natom, nb, & | ^ Warning: ‘natom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:131:76: 131 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a | ^ Warning: ‘alpha_ppnl.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:131:76: Warning: ‘alpha_ppnl.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:131:76: Warning: ‘alpha_ppnl.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:131:76: Warning: ‘alpha_ppnl.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:110:92: 110 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, & | ^ Warning: ‘nprj_ppnl.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:110:92: Warning: ‘nprj_ppnl.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:110:92: Warning: ‘nprj_ppnl.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:110:92: Warning: ‘nprj_ppnl.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:130:77: 130 | sphi_a, vprj_ppnl, zeta | ^ Warning: ‘vprj_ppnl.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:130:77: Warning: ‘vprj_ppnl.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:130:77: Warning: ‘vprj_ppnl.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:130:77: Warning: ‘vprj_ppnl.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:130:77: Warning: ‘vprj_ppnl.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:131:82: 131 | REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a | ^ Warning: ‘hprj.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:131:82: Warning: ‘hprj.span’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:131:82: Warning: ‘hprj.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:131:82: Warning: ‘hprj.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:401:111: 401 | work(1:np, 1:nb) = MATMUL(sab(1:np, first_col:first_col + nprjc - 1), cprj(1:nprjc, 1:nb)) | ^ Warning: ‘nprjc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F:107:67: 107 | ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, nsgfa, prjc, sgfa, slot | ^ note: ‘nprjc’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'core_ppnl.mod' due to: core_ppnl.o /build/cp2k-6PcaEs/cp2k-8.1/src/core_ppnl.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod qs_neighbor_list_types.mod sap_kind_types.mod virial_types.mod external_potential_types.mod atomic_kind_types.mod qs_force_types.mod orbital_pointers.mod ai_overlap.mod kinds.mod base_hooks.mod virial_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_core_hamiltonian.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_core_hamiltonian.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod kg_environment_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod qs_oce_types.mod cp_blacs_env.mod input_constants.mod qs_condnum.mod cp_dbcsr_operations.mod base_hooks.mod qs_kinetic.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod qs_overlap.mod kinds.mod qs_oce_methods.mod core_ae.mod cp_log_handling.mod cp_dbcsr_output.mod core_ppl.mod kg_tnadd_mat.mod core_ppnl.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_core_hamiltonian.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_core_hamiltonian.mod' due to: qs_core_hamiltonian.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_core_hamiltonian.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod kg_environment_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_neighbor_list_types.mod lri_environment_types.mod atomic_kind_types.mod qs_oce_types.mod cp_blacs_env.mod input_constants.mod qs_condnum.mod cp_dbcsr_operations.mod base_hooks.mod qs_kinetic.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod qs_overlap.mod kinds.mod qs_oce_methods.mod core_ae.mod cp_log_handling.mod cp_dbcsr_output.mod core_ppl.mod kg_tnadd_mat.mod core_ppnl.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_update_s_mstruct.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_update_s_mstruct.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_ddapc_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_ks_types.mod pw_types.mod qs_rho_types.mod qs_scf_types.mod qs_environment_types.mod task_list_types.mod input_constants.mod qs_collocate_density.mod task_list_methods.mod cp_ddapc_util.mod base_hooks.mod pw_methods.mod qs_rho_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_update_s_mstruct.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_update_s_mstruct.mod' due to: qs_update_s_mstruct.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_update_s_mstruct.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_ddapc_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_ks_types.mod pw_types.mod qs_rho_types.mod qs_scf_types.mod qs_environment_types.mod task_list_types.mod input_constants.mod qs_collocate_density.mod task_list_methods.mod cp_ddapc_util.mod base_hooks.mod pw_methods.mod qs_rho_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_basis_gradient.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_basis_gradient.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_scf_types.mod qs_force_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod atomic_kind_types.mod cp_dbcsr_operations.mod qs_energy_matrix_w.mod base_hooks.mod qs_ks_methods.mod qs_rho_methods.mod qs_core_hamiltonian.mod qs_mixing_utils.mod kinds.mod qs_neighbor_lists.mod cp_log_handling.mod qs_mo_methods.mod qs_update_s_mstruct.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_basis_gradient.F qs_basis_gradient.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_basis_gradient.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_basis_gradient.mod' due to: qs_basis_gradient.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_basis_gradient.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_scf_types.mod qs_force_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod atomic_kind_types.mod cp_dbcsr_operations.mod qs_energy_matrix_w.mod base_hooks.mod qs_ks_methods.mod qs_rho_methods.mod qs_core_hamiltonian.mod qs_mixing_utils.mod kinds.mod qs_neighbor_lists.mod cp_log_handling.mod qs_mo_methods.mod qs_update_s_mstruct.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_outer_scf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_outer_scf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod scf_control_types.mod qs_scf_types.mod qs_environment_types.mod qs_cdft_opt_types.mod qs_cdft_types.mod qs_energy_types.mod mathlib.mod input_constants.mod kinds.mod base_hooks.mod qs_basis_gradient.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_outer_scf.F qs_outer_scf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_outer_scf.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_outer_scf.F:511:60: 511 | ddapc_restraint_control%strength = extrapolation(1) | ^ Warning: ‘ddapc_restraint_control’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_outer_scf.F:415:88: 415 | ddapc_restraint_control%strength = scf_env%outer_scf%variables(1, ihistory + 1) | ^ Warning: ‘ddapc_restraint_control’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_outer_scf.F:141:17: 141 | CPASSERT(is_constraint) | ^ Warning: ‘is_constraint’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_outer_scf.F:145:81: 145 | ddapc_restraint_control%target | ^ Warning: ‘ddapc_restraint_control’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_outer_scf.mod' due to: qs_outer_scf.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_outer_scf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod scf_control_types.mod qs_scf_types.mod qs_environment_types.mod qs_cdft_opt_types.mod qs_cdft_types.mod qs_energy_types.mod mathlib.mod input_constants.mod kinds.mod base_hooks.mod qs_basis_gradient.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ewald_pw_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_pw_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod dg_rho0_types.mod ewald_pw_types.mod pw_grid_types.mod ewald_environment_types.mod pw_pool_types.mod dg_types.mod pw_poisson_methods.mod dgs.mod kinds.mod base_hooks.mod pw_poisson_read_input.mod pw_grids.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_pw_methods.F ewald_pw_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewald_pw_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ewald_pw_methods.mod' due to: ewald_pw_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/ewald_pw_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_poisson_types.mod dg_rho0_types.mod ewald_pw_types.mod pw_grid_types.mod ewald_environment_types.mod pw_pool_types.mod dg_types.mod pw_poisson_methods.mod dgs.mod kinds.mod base_hooks.mod pw_poisson_read_input.mod pw_grids.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_environment_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod qs_rho0_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_charges_types.mod pw_pool_types.mod ewald_pw_types.mod qs_environment_types.mod distribution_2d_types.mod molecule_kind_types.mod atomic_kind_types.mod ewald_environment_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod distribution_methods.mod qs_outer_scf.mod kinds.mod pw_env_methods.mod qs_rho0_ggrid.mod qs_matrix_pools.mod ewald_pw_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment_methods.F qs_environment_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_environment_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_environment_methods.mod' due to: qs_environment_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod qs_rho0_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_charges_types.mod pw_pool_types.mod ewald_pw_types.mod qs_environment_types.mod distribution_2d_types.mod molecule_kind_types.mod atomic_kind_types.mod ewald_environment_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod distribution_methods.mod qs_outer_scf.mod kinds.mod pw_env_methods.mod qs_rho0_ggrid.mod qs_matrix_pools.mod ewald_pw_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dftb_parameters.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_parameters.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_kind_types.mod cp_control_types.mod input_section_types.mod external_potential_types.mod cp_parser_types.mod atomic_kind_types.mod qs_dftb_types.mod input_constants.mod cp_parser_methods.mod base_hooks.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod string_utilities.mod cp_log_handling.mod mathconstants.mod cp_files.mod qmmm_ff_fist.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_parameters.F qs_dftb_parameters.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_parameters.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dftb_parameters.mod' due to: qs_dftb_parameters.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_parameters.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod qs_kind_types.mod cp_control_types.mod input_section_types.mod external_potential_types.mod cp_parser_types.mod atomic_kind_types.mod qs_dftb_types.mod input_constants.mod cp_parser_methods.mod base_hooks.mod message_passing.mod cp_output_handling.mod qs_dftb_utils.mod kinds.mod string_utilities.mod cp_log_handling.mod mathconstants.mod cp_files.mod qmmm_ff_fist.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_setup.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_setup.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod mp2_types.mod mathlib.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_eri_mme_interface.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_setup.F mp2_setup.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:08:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_setup.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_setup.mod' due to: mp2_setup.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_setup.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod mp2_types.mod mathlib.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_eri_mme_interface.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_write_output.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc_write_output.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod input_cp2k_check.mod kinds.mod base_hooks.mod xc_derivatives.mod xc_libxc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc_write_output.F xc_write_output.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_write_output.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_write_output.mod' due to: xc_write_output.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc_write_output.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_constants.mod input_cp2k_check.mod kinds.mod base_hooks.mod xc_derivatives.mod xc_libxc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_control_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod input_keyword_types.mod cp_control_types.mod pair_potential_types.mod input_section_types.mod input_enumeration_types.mod input_constants.mod xc_input_constants.mod qs_cdft_utils.mod base_hooks.mod xc_write_output.mod cp_output_handling.mod bibliography.mod kinds.mod string_utilities.mod force_fields_input.mod xc_derivatives.mod cp_log_handling.mod input_cp2k_dft.mod cp_units.mod input_cp2k_check.mod mathconstants.mod cp_files.mod util.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_utils.F cp_control_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_control_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_utils.F:1677:51: 1677 | method = enum_i2c(enum, qs_control%method_id) | 1 Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_utils.F:1682:69: 1682 | quadrature = enum_i2c(enum, qs_control%gapw_control%quadrature) | 1 Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_utils.F:208:53: 208 | dft_control%auto_basis_aux_fit = isize | ^ Warning: ‘isize’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_control_utils.mod' due to: cp_control_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/cp_control_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod input_keyword_types.mod cp_control_types.mod pair_potential_types.mod input_section_types.mod input_enumeration_types.mod input_constants.mod xc_input_constants.mod qs_cdft_utils.mod base_hooks.mod xc_write_output.mod cp_output_handling.mod bibliography.mod kinds.mod string_utilities.mod force_fields_input.mod xc_derivatives.mod cp_log_handling.mod input_cp2k_dft.mod cp_units.mod input_cp2k_check.mod mathconstants.mod cp_files.mod util.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_environment.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod qs_subsys_types.mod kpoint_types.mod qs_dispersion_types.mod qs_gcp_types.mod pw_env_types.mod qs_ks_types.mod qs_force_types.mod ec_env_types.mod qs_wf_history_types.mod qs_mo_types.mod lri_environment_types.mod ewald_environment_types.mod molecule_types.mod cp_ddapc_types.mod cell_types.mod cp_control_types.mod input_section_types.mod ewald_pw_types.mod cp_subsys_types.mod basis_set_types.mod atomic_kind_types.mod semi_empirical_types.mod cp_para_types.mod qmmm_types_low.mod et_coupling_types.mod global_types.mod xtb_types.mod distribution_1d_types.mod rel_control_types.mod mp2_types.mod particle_types.mod qs_rho0_types.mod qs_kind_types.mod scf_control_types.mod qs_rho_atom_types.mod semi_empirical_mpole_types.mod basis_set_container_types.mod qs_local_rho_types.mod external_potential_types.mod fist_nonbond_env_types.mod qs_environment_types.mod molecule_kind_types.mod qs_energy_types.mod multipole_types.mod semi_empirical_store_int_types.mod qs_dftb_types.mod atom_kind_orbitals.mod base_hooks.mod qs_rho0_methods.mod qs_dispersion_pairpot.mod qs_interactions.mod qs_gcp_utils.mod qs_subsys_methods.mod almo_scf_env_methods.mod gamma.mod transport.mod orbital_transformation_matrices.mod orbital_pointers.mod distribution_methods.mod qs_rho_atom_methods.mod semi_empirical_int_arrays.mod lri_environment_init.mod cp_output_handling.mod cp_symmetry.mod bibliography.mod qs_rho0_ggrid.mod cp_log_handling.mod machine.mod mathconstants.mod semi_empirical_expns3_methods.mod kg_environment.mod header.mod dm_ls_scf_create.mod input_constants.mod ec_environment.mod qs_wf_history_methods.mod qs_environment_methods.mod qs_dispersion_nonloc.mod semi_empirical_mpole_methods.mod hartree_local_methods.mod qs_dftb_parameters.mod auto_basis.mod qs_dispersion_utils.mod cp_blacs_env.mod cp_para_env.mod kinds.mod kpoint_methods.mod mp2_setup.mod ewald_pw_methods.mod particle_methods.mod semi_empirical_utils.mod cp_control_utils.mod xtb_parameters.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment.F qs_environment.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_environment.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment.F:1197:87: 1197 | dispersion_env%parameter_file_name = dftb_control%dispersion_parameter_file | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment.F:1230:83: 1230 | dispersion_env%parameter_file_name = xtb_control%dispersion_parameter_file | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment.F:1260:85: 1260 | dispersion_env%parameter_file_name = se_control%dispersion_parameter_file | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment.F:1222:43: 1222 | dispersion_env%a1 = xtb_control%a1 | ^ Warning: ‘xtb_control’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment.F:565:71: 565 | TYPE(xtb_control_type), POINTER :: xtb_control | ^ note: ‘xtb_control’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment.F:1184:42: 1184 | IF (dftb_control%dispersion .AND. dftb_control%dispersion_type == dispersion_d3) THEN | ^ Warning: ‘dftb_control’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment.F:526:72: 526 | TYPE(dftb_control_type), POINTER :: dftb_control | ^ note: ‘dftb_control’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_environment.mod' due to: qs_environment.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_environment.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod qs_subsys_types.mod kpoint_types.mod qs_dispersion_types.mod qs_gcp_types.mod pw_env_types.mod qs_ks_types.mod qs_force_types.mod ec_env_types.mod qs_wf_history_types.mod qs_mo_types.mod lri_environment_types.mod ewald_environment_types.mod molecule_types.mod cp_ddapc_types.mod cell_types.mod cp_control_types.mod input_section_types.mod ewald_pw_types.mod cp_subsys_types.mod basis_set_types.mod atomic_kind_types.mod semi_empirical_types.mod cp_para_types.mod qmmm_types_low.mod et_coupling_types.mod global_types.mod xtb_types.mod distribution_1d_types.mod rel_control_types.mod mp2_types.mod particle_types.mod qs_rho0_types.mod qs_kind_types.mod scf_control_types.mod qs_rho_atom_types.mod semi_empirical_mpole_types.mod basis_set_container_types.mod qs_local_rho_types.mod external_potential_types.mod fist_nonbond_env_types.mod qs_environment_types.mod molecule_kind_types.mod qs_energy_types.mod multipole_types.mod semi_empirical_store_int_types.mod qs_dftb_types.mod atom_kind_orbitals.mod base_hooks.mod qs_rho0_methods.mod qs_dispersion_pairpot.mod qs_interactions.mod qs_gcp_utils.mod qs_subsys_methods.mod almo_scf_env_methods.mod gamma.mod transport.mod orbital_transformation_matrices.mod orbital_pointers.mod distribution_methods.mod qs_rho_atom_methods.mod semi_empirical_int_arrays.mod lri_environment_init.mod cp_output_handling.mod cp_symmetry.mod bibliography.mod qs_rho0_ggrid.mod cp_log_handling.mod machine.mod mathconstants.mod semi_empirical_expns3_methods.mod kg_environment.mod header.mod dm_ls_scf_create.mod input_constants.mod ec_environment.mod qs_wf_history_methods.mod qs_environment_methods.mod qs_dispersion_nonloc.mod semi_empirical_mpole_methods.mod hartree_local_methods.mod qs_dftb_parameters.mod auto_basis.mod qs_dispersion_utils.mod cp_blacs_env.mod cp_para_env.mod kinds.mod kpoint_methods.mod mp2_setup.mod ewald_pw_methods.mod particle_methods.mod semi_empirical_utils.mod cp_control_utils.mod xtb_parameters.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'se_core_core.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_core.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod ewald_pw_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_integrals.mod base_hooks.mod semi_empirical_int_arrays.mod message_passing.mod kinds.mod virial_methods.mod semi_empirical_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_core.F se_core_core.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_core_core.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_core.F:213:53: 213 | dr3inv = -3.0_dp*rij*r3inv*r2inv | ^ Warning: ‘r3inv’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_core.F:213:53: Warning: ‘r2inv’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'se_core_core.mod' due to: se_core_core.o /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_core.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod ewald_pw_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod semi_empirical_types.mod input_constants.mod semi_empirical_integrals.mod base_hooks.mod semi_empirical_int_arrays.mod message_passing.mod kinds.mod virial_methods.mod semi_empirical_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dftb_dispersion.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_dispersion.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_dispersion_types.mod qs_kind_types.mod cp_control_types.mod qs_force_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod qs_dftb_types.mod input_constants.mod base_hooks.mod message_passing.mod qs_dftb_utils.mod qs_dispersion_pairpot.mod kinds.mod virial_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dftb_dispersion.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dftb_dispersion.mod' due to: qs_dftb_dispersion.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dftb_dispersion.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_dispersion_types.mod qs_kind_types.mod cp_control_types.mod qs_force_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod qs_dftb_types.mod input_constants.mod base_hooks.mod message_passing.mod qs_dftb_utils.mod qs_dispersion_pairpot.mod kinds.mod virial_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_gcp_method.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod qs_gcp_types.mod cell_types.mod qs_neighbor_list_types.mod virial_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod atprop_types.mod qs_force_types.mod message_passing.mod ai_overlap.mod kinds.mod base_hooks.mod virial_methods.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F qs_gcp_method.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gcp_method.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F:286:13: 286 | IF (use_virial) THEN | ^ Warning: ‘use_virial’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F:236:80: 236 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) | ^ Warning: ‘atstr.dim[2].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F:236:80: Warning: ‘atstr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F:237:80: 237 | CALL virial_pair_force(atstr(:, :, jatom), -0.5_dp, fdij, rij) | ^ Warning: ‘atstr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F:86:65: 86 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: atstr | ^ Warning: ‘atstr.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F:86:65: Warning: ‘atstr.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F:86:65: Warning: ‘atstr.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F:86:65: Warning: ‘atstr.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F:86:65: Warning: ‘atstr.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F:236:80: 236 | CALL virial_pair_force(atstr(:, :, iatom), -0.5_dp, fdij, rij) | ^ Warning: ‘atstr.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_gcp_method.mod' due to: qs_gcp_method.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gcp_method.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod qs_gcp_types.mod cell_types.mod qs_neighbor_list_types.mod virial_types.mod qs_environment_types.mod atomic_kind_types.mod cp_para_types.mod atprop_types.mod qs_force_types.mod message_passing.mod ai_overlap.mod kinds.mod base_hooks.mod virial_methods.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_external_density.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_external_density.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_rho_types.mod pw_types.mod qs_environment_types.mod message_passing.mod rs_pw_interface.mod kinds.mod base_hooks.mod cp_files.mod gaussian_gridlevels.mod pw_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_external_density.F qs_external_density.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_external_density.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_external_density.mod' due to: qs_external_density.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_external_density.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 realspace_grid_types.mod input_section_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_rho_types.mod pw_types.mod qs_environment_types.mod message_passing.mod rs_pw_interface.mod kinds.mod base_hooks.mod cp_files.mod gaussian_gridlevels.mod pw_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'maxwell_solver_interface.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/maxwell_solver_interface.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod pw_types.mod message_passing.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/maxwell_solver_interface.F maxwell_solver_interface.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' maxwell_solver_interface.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'maxwell_solver_interface.mod' due to: maxwell_solver_interface.o /build/cp2k-6PcaEs/cp2k-8.1/src/maxwell_solver_interface.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod pw_types.mod message_passing.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_external_potential.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_external_potential.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod atomic_kind_types.mod base_hooks.mod message_passing.mod kinds.mod string_utilities.mod cp_log_handling.mod maxwell_solver_interface.mod fparser.mod cp_realspace_grid_cube.mod force_fields_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_external_potential.F qs_external_potential.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_external_potential.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_external_potential.mod' due to: qs_external_potential.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_external_potential.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod atomic_kind_types.mod base_hooks.mod message_passing.mod kinds.mod string_utilities.mod cp_log_handling.mod maxwell_solver_interface.mod fparser.mod cp_realspace_grid_cube.mod force_fields_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'se_core_matrix.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_matrix.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod semi_empirical_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod semi_empirical_int_arrays.mod cp_output_handling.mod qs_overlap.mod kinds.mod cp_log_handling.mod virial_methods.mod semi_empirical_utils.mod cp_dbcsr_output.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_matrix.F se_core_matrix.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' se_core_matrix.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_matrix.F:427:19: 427 | SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S) | ^ Warning: ‘makes’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_matrix.F:803:20: 803 | SUBROUTINE makedS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, dS) | ^ Warning: ‘makeds’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_matrix.F:373:66: 373 | force(jkind)%all_potential(:, atom_b) + force_ab(:) | ^ Warning: ‘atom_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_matrix.F:371:66: 371 | force(ikind)%all_potential(:, atom_a) - force_ab(:) | ^ Warning: ‘atom_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'se_core_matrix.mod' due to: se_core_matrix.o /build/cp2k-6PcaEs/cp2k-8.1/src/se_core_matrix.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod semi_empirical_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod semi_empirical_int_arrays.mod cp_output_handling.mod qs_overlap.mod kinds.mod cp_log_handling.mod virial_methods.mod semi_empirical_utils.mod cp_dbcsr_output.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_energy_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_init.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kpoint_types.mod molecule_types.mod qs_dispersion_types.mod kg_environment_types.mod qs_gcp_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod lri_environment_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_core_energies.mod qs_ks_methods.mod qs_core_hamiltonian.mod se_core_core.mod qs_dftb_matrices.mod qs_dispersion_pairpot.mod kinds.mod qs_neighbor_lists.mod ri_environment_methods.mod optimize_embedding_potential.mod qs_dftb_dispersion.mod kpoint_methods.mod qs_gcp_method.mod qs_external_density.mod qs_update_s_mstruct.mod efield_utils.mod lri_environment_methods.mod qs_external_potential.mod xtb_matrices.mod se_core_matrix.mod kg_environment.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_init.F qs_energy_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_energy_init.mod' due to: qs_energy_init.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_init.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kpoint_types.mod molecule_types.mod qs_dispersion_types.mod kg_environment_types.mod qs_gcp_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod lri_environment_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_core_energies.mod qs_ks_methods.mod qs_core_hamiltonian.mod se_core_core.mod qs_dftb_matrices.mod qs_dispersion_pairpot.mod kinds.mod qs_neighbor_lists.mod ri_environment_methods.mod optimize_embedding_potential.mod qs_dftb_dispersion.mod kpoint_methods.mod qs_gcp_method.mod qs_external_density.mod qs_update_s_mstruct.mod efield_utils.mod lri_environment_methods.mod qs_external_potential.mod xtb_matrices.mod se_core_matrix.mod kg_environment.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_distribution_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_distribution_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod qs_fb_env_types.mod qs_fb_atomic_halo_types.mod qs_environment_types.mod cp_para_types.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_distribution_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_distribution_methods.F:766:37: 766 | SUBROUTINE fb_distribution_move_el(dist_from, element, dist_to) | ^ Warning: ‘fb_distribution_move_el’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_distribution_methods.mod' due to: qs_fb_distribution_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_distribution_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod input_section_types.mod cell_types.mod qs_fb_env_types.mod qs_fb_atomic_halo_types.mod qs_environment_types.mod cp_para_types.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_restart.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_restart.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod cp_para_types.mod xas_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod qs_rho_atom_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_methods.mod message_passing.mod cp_output_handling.mod qs_mixing_utils.mod kinds.mod string_utilities.mod cp_log_handling.mod cp_gemm_interface.mod qs_mo_methods.mod cp_files.mod qs_mo_occupation.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_restart.F xas_restart.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_restart.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_restart.mod' due to: xas_restart.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_restart.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod cp_para_types.mod xas_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod qs_rho_atom_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_methods.mod message_passing.mod cp_output_handling.mod qs_mixing_utils.mod kinds.mod string_utilities.mod cp_log_handling.mod cp_gemm_interface.mod qs_mo_methods.mod cp_files.mod qs_mo_occupation.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_hash_table_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_hash_table_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_hash_table_functions.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_hash_table_types.F qs_fb_hash_table_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_hash_table_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_hash_table_types.F:339:34: 339 | SUBROUTINE fb_hash_table_remove(hash_table, key) | ^ Warning: ‘fb_hash_table_remove’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_hash_table_types.F:372:34: 372 | SUBROUTINE fb_hash_table_retain(hash_table) | ^ Warning: ‘fb_hash_table_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_hash_table_types.F:392:34: 392 | SUBROUTINE fb_hash_table_status(hash_table, nelements, nmax, prime) | ^ Warning: ‘fb_hash_table_status’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_hash_table_types.mod' due to: qs_fb_hash_table_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_hash_table_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_hash_table_functions.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_buffer_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_buffer_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_buffer_types.F qs_fb_buffer_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_buffer_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_buffer_types.F:206:35: 206 | SUBROUTINE fb_buffer_i_associate(a, b) | ^ Warning: ‘fb_buffer_i_associate’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_buffer_types.F:524:35: 524 | SUBROUTINE fb_buffer_d_associate(a, b) | ^ Warning: ‘fb_buffer_d_associate’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_buffer_types.mod' due to: qs_fb_buffer_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_buffer_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_matrix_data_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_matrix_data_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_fb_hash_table_types.mod qs_fb_buffer_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_matrix_data_types.F qs_fb_matrix_data_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_matrix_data_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_matrix_data_types.F:141:38: 141 | SUBROUTINE fb_matrix_data_associate(a, b) | ^ Warning: ‘fb_matrix_data_associate’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_matrix_data_types.F:314:35: 314 | SUBROUTINE fb_matrix_data_retain(matrix_data) | ^ Warning: ‘fb_matrix_data_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_matrix_data_types.F:336:35: 336 | SUBROUTINE fb_matrix_data_status(matrix_data, nmax, nblks, nencode, blk_sizes) | ^ Warning: ‘fb_matrix_data_status’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_matrix_data_types.mod' due to: qs_fb_matrix_data_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_matrix_data_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_fb_hash_table_types.mod qs_fb_buffer_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_com_tasks_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_com_tasks_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod cp_para_types.mod message_passing.mod memory_utilities.mod util.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_com_tasks_types.F qs_fb_com_tasks_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_com_tasks_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_com_tasks_types.F:159:33: 159 | SUBROUTINE fb_com_tasks_retain(com_tasks) | ^ Warning: ‘fb_com_tasks_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_com_tasks_types.F:173:38: 173 | SUBROUTINE fb_com_atom_pairs_retain(atom_pairs) | ^ Warning: ‘fb_com_atom_pairs_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_com_tasks_types.F:267:36: 267 | SUBROUTINE fb_com_tasks_associate(a, b) | ^ Warning: ‘fb_com_tasks_associate’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_com_tasks_types.F:280:41: 280 | SUBROUTINE fb_com_atom_pairs_associate(a, b) | ^ Warning: ‘fb_com_atom_pairs_associate’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_com_tasks_types.F:294:3: 294 | FUNCTION fb_com_tasks_has_data(com_tasks) RESULT(res) | ^ Warning: ‘fb_com_tasks_has_data’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_com_tasks_types.F:360:31: 360 | SUBROUTINE fb_com_tasks_init(com_tasks) | ^ Warning: ‘fb_com_tasks_init’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_com_tasks_types.mod' due to: qs_fb_com_tasks_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_com_tasks_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_fb_matrix_data_types.mod cp_para_types.mod message_passing.mod memory_utilities.mod util.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_atomic_matrix_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_atomic_matrix_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_fb_com_tasks_types.mod qs_fb_atomic_halo_types.mod qs_fb_matrix_data_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_atomic_matrix_methods.F qs_fb_atomic_matrix_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_atomic_matrix_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_atomic_matrix_methods.mod' due to: qs_fb_atomic_matrix_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_atomic_matrix_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_fb_com_tasks_types.mod qs_fb_atomic_halo_types.mod qs_fb_matrix_data_types.mod cp_para_types.mod message_passing.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_filter_matrix_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_filter_matrix_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_fb_com_tasks_types.mod qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod qs_fb_matrix_data_types.mod atomic_kind_types.mod cp_para_types.mod message_passing.mod string_utilities.mod qs_fb_atomic_matrix_methods.mod kinds.mod base_hooks.mod fermi_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_filter_matrix_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_filter_matrix_methods.F:1434:39: 1434 | SUBROUTINE fb_fltrmat_fermi_dirac_ne(f, eigenvals, T, ne, maxocc) | ^ Warning: ‘fb_fltrmat_fermi_dirac_ne’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_filter_matrix_methods.mod' due to: qs_fb_filter_matrix_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_filter_matrix_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_fb_com_tasks_types.mod qs_fb_trial_fns_types.mod qs_fb_atomic_halo_types.mod qs_fb_matrix_data_types.mod atomic_kind_types.mod cp_para_types.mod message_passing.mod string_utilities.mod qs_fb_atomic_matrix_methods.mod kinds.mod base_hooks.mod fermi_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_fb_env_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_fb_env_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_fb_trial_fns_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod qs_fb_atomic_halo_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod orbital_pointers.mod qs_fb_filter_matrix_methods.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod kinds.mod qs_diis.mod qs_integral_utils.mod string_utilities.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod cp_units.mod cp_gemm_interface.mod qs_mo_methods.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_mo_occupation.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_env_methods.F qs_fb_env_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:09:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_fb_env_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_fb_env_methods.mod' due to: qs_fb_env_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_fb_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_fb_env_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_fb_trial_fns_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod qs_fb_atomic_halo_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod orbital_pointers.mod qs_fb_filter_matrix_methods.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod kinds.mod qs_diis.mod qs_integral_utils.mod string_utilities.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod cp_units.mod cp_gemm_interface.mod qs_mo_methods.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_mo_occupation.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_initialization.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_initialization.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_fb_env_types.mod cp_fm_pool_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod kpoint_types.mod qs_block_davidson_types.mod qs_kind_types.mod xas_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_cdft_opt_types.mod qs_mo_types.mod input_constants.mod qs_scf_output.mod cp_dbcsr_operations.mod qs_fb_distribution_methods.mod base_hooks.mod cp_fm_struct.mod qs_outer_scf.mod qs_rho_methods.mod qs_wf_history_methods.mod cp_output_handling.mod qs_mixing_utils.mod kinds.mod xas_restart.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod qs_scf_lanczos.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_mo_occupation.mod cp_dbcsr_output.mod qmmm_image_charge.mod qs_scf_diagonalization.mod qs_initial_guess.mod qs_fb_env_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_initialization.F qs_scf_initialization.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:10:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_initialization.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_initialization.mod' due to: qs_scf_initialization.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_initialization.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_fb_env_types.mod cp_fm_pool_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod kpoint_types.mod qs_block_davidson_types.mod qs_kind_types.mod xas_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod qs_rho_atom_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_cdft_opt_types.mod qs_mo_types.mod input_constants.mod qs_scf_output.mod cp_dbcsr_operations.mod qs_fb_distribution_methods.mod base_hooks.mod cp_fm_struct.mod qs_outer_scf.mod qs_rho_methods.mod qs_wf_history_methods.mod cp_output_handling.mod qs_mixing_utils.mod kinds.mod xas_restart.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod qs_scf_lanczos.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_mo_occupation.mod cp_dbcsr_output.mod qmmm_image_charge.mod qs_scf_diagonalization.mod qs_initial_guess.mod qs_fb_env_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_gamma2kp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gamma2kp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_scf_types.mod qs_environment_types.mod cp_para_types.mod kpoint_types.mod cp_subsys_types.mod qs_environment.mod qs_energy_init.mod kinds.mod base_hooks.mod qs_ks_methods.mod qs_scf_initialization.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gamma2kp.F qs_gamma2kp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:10:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_gamma2kp.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_gamma2kp.mod' due to: qs_gamma2kp.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_gamma2kp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_scf_types.mod qs_environment_types.mod cp_para_types.mod kpoint_types.mod cp_subsys_types.mod qs_environment.mod qs_energy_init.mod kinds.mod base_hooks.mod qs_ks_methods.mod qs_scf_initialization.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'wannier90.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/wannier90.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod physcon.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/wannier90.F wannier90.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:10:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' wannier90.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'wannier90.mod' due to: wannier90.o /build/cp2k-6PcaEs/cp2k-8.1/src/wannier90.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod physcon.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_wannier90.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_wannier90.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_fm_pool_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod qs_gamma2kp.mod cp_fm_struct.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod qs_moments.mod kpoint_methods.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod mathconstants.mod cp_gemm_interface.mod cp_files.mod wannier90.mod qs_scf_diagonalization.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_wannier90.F qs_wannier90.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:10:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_wannier90.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_wannier90.mod' due to: qs_wannier90.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_wannier90.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_fm_pool_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod qs_gamma2kp.mod cp_fm_struct.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod qs_moments.mod kpoint_methods.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod mathconstants.mod cp_gemm_interface.mod cp_files.mod wannier90.mod qs_scf_diagonalization.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_local_properties.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_local_properties.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod pw_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod cp_dbcsr_operations.mod qs_energy_matrix_w.mod base_hooks.mod qs_core_energies.mod qs_ks_methods.mod pw_methods.mod bibliography.mod kinds.mod cp_log_handling.mod mathlib.mod qs_collocate_density.mod qs_vxc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_local_properties.F qs_local_properties.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:10:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_local_properties.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_local_properties.mod' due to: qs_local_properties.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_local_properties.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod qs_rho_types.mod pw_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod cp_dbcsr_operations.mod qs_energy_matrix_w.mod base_hooks.mod qs_core_energies.mod qs_ks_methods.mod pw_methods.mod bibliography.mod kinds.mod cp_log_handling.mod mathlib.mod qs_collocate_density.mod qs_vxc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_dos.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dos.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod kpoint_types.mod qs_mo_types.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dos.F qs_dos.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:10:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_dos.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dos.F:139:28: 139 | nhist = MAXVAL(nmo) | ^ Warning: ‘nmo[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dos.F:139:28: Warning: ‘nmo[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_dos.mod' due to: qs_dos.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_dos.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod kpoint_types.mod qs_mo_types.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_post_gpw.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_gpw.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod kpoint_types.mod pw_env_types.mod qs_ks_types.mod qs_mo_types.mod virial_types.mod qs_rho_types.mod pw_types.mod molecule_types.mod cell_types.mod cp_control_types.mod input_section_types.mod ps_implicit_types.mod hirshfeld_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod pw_poisson_types.mod et_coupling_types.mod qs_scf_types.mod pw_pool_types.mod cp_fm_types.mod particle_types.mod qs_rho0_types.mod qs_loc_types.mod qs_kind_types.mod scf_control_types.mod qs_rho_atom_types.mod preconditioner_types.mod qs_environment_types.mod admm_types.mod qs_energy_types.mod particle_list_types.mod mulliken.mod atom_kind_orbitals.mod qs_mo_io.mod qs_active_space_methods.mod qs_chargemol.mod base_hooks.mod qs_epr_hyp.mod qs_commutators.mod qs_scf_wfn_mix.mod population_analyses.mod qs_collocate_density.mod qs_loc_utils.mod pw_poisson_methods.mod admm_utils.mod qs_ot_eigensolver.mod transport.mod orbital_pointers.mod qs_loc_dipole.mod hirshfeld_methods.mod qs_core_energies.mod cp_fm_struct.mod cp_output_handling.mod qs_electric_field_gradient.mod qs_integral_utils.mod cp_log_handling.mod mathconstants.mod xray_diffraction.mod s_square_methods.mod cp_fm_diag.mod qs_elf_methods.mod lapack.mod qs_scf_csr_write.mod input_constants.mod cp_dbcsr_operations.mod ai_onecenter.mod qs_grid_atom.mod qs_energy_window.mod qs_pdos.mod cp_ddapc_util.mod minbas_wfn_analysis.mod dct.mod stm_images.mod qs_loc_states.mod qs_resp.mod pw_grids.mod cp_fm_vect.mod cp_blacs_env.mod molden_utils.mod voronoi_interface.mod mao_wfn_analysis.mod qs_wannier90.mod qs_local_properties.mod qs_ks_methods.mod pw_methods.mod message_passing.mod cp_array_utils.mod kinds.mod qs_moments.mod memory_utilities.mod qs_dos.mod qs_mo_methods.mod qs_mo_occupation.mod cp_dbcsr_output.mod cp_realspace_grid_cube.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_gpw.F qs_scf_post_gpw.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:10:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_post_gpw.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_gpw.F:673:13: 673 | IF (compute_lumos) THEN | ^ Warning: ‘compute_lumos’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_post_gpw.mod' due to: qs_scf_post_gpw.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_gpw.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod kpoint_types.mod pw_env_types.mod qs_ks_types.mod qs_mo_types.mod virial_types.mod qs_rho_types.mod pw_types.mod molecule_types.mod cell_types.mod cp_control_types.mod input_section_types.mod ps_implicit_types.mod hirshfeld_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod pw_poisson_types.mod et_coupling_types.mod qs_scf_types.mod pw_pool_types.mod cp_fm_types.mod particle_types.mod qs_rho0_types.mod qs_loc_types.mod qs_kind_types.mod scf_control_types.mod qs_rho_atom_types.mod preconditioner_types.mod qs_environment_types.mod admm_types.mod qs_energy_types.mod particle_list_types.mod mulliken.mod atom_kind_orbitals.mod qs_mo_io.mod qs_active_space_methods.mod qs_chargemol.mod base_hooks.mod qs_epr_hyp.mod qs_commutators.mod qs_scf_wfn_mix.mod population_analyses.mod qs_collocate_density.mod qs_loc_utils.mod pw_poisson_methods.mod admm_utils.mod qs_ot_eigensolver.mod transport.mod orbital_pointers.mod qs_loc_dipole.mod hirshfeld_methods.mod qs_core_energies.mod cp_fm_struct.mod cp_output_handling.mod qs_electric_field_gradient.mod qs_integral_utils.mod cp_log_handling.mod mathconstants.mod xray_diffraction.mod s_square_methods.mod cp_fm_diag.mod qs_elf_methods.mod lapack.mod qs_scf_csr_write.mod input_constants.mod cp_dbcsr_operations.mod ai_onecenter.mod qs_grid_atom.mod qs_energy_window.mod qs_pdos.mod cp_ddapc_util.mod minbas_wfn_analysis.mod dct.mod stm_images.mod qs_loc_states.mod qs_resp.mod pw_grids.mod cp_fm_vect.mod cp_blacs_env.mod molden_utils.mod voronoi_interface.mod mao_wfn_analysis.mod qs_wannier90.mod qs_local_properties.mod qs_ks_methods.mod pw_methods.mod message_passing.mod cp_array_utils.mod kinds.mod qs_moments.mod memory_utilities.mod qs_dos.mod qs_mo_methods.mod qs_mo_occupation.mod cp_dbcsr_output.mod cp_realspace_grid_cube.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_post_tb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_tb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod kpoint_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod preconditioner_types.mod xtb_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod cp_result_types.mod particle_list_types.mod atomic_kind_types.mod qs_dftb_types.mod cp_blacs_env.mod input_constants.mod molden_utils.mod mulliken.mod qs_mo_io.mod cp_dbcsr_operations.mod cp_result_methods.mod base_hooks.mod pw_methods.mod qs_rho_methods.mod cp_fm_struct.mod qs_energy_window.mod moments_utils.mod cp_output_handling.mod qs_dftb_utils.mod cp_array_utils.mod qs_pdos.mod task_list_methods.mod kinds.mod pw_env_methods.mod qs_scf_wfn_mix.mod population_analyses.mod cp_log_handling.mod machine.mod memory_utilities.mod qs_collocate_density.mod stm_images.mod mathconstants.mod qs_dos.mod qs_mo_methods.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_mo_occupation.mod cp_realspace_grid_cube.mod qs_elf_methods.mod qs_ot_eigensolver.mod qs_scf_csr_write.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_tb.F qs_scf_post_tb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:10:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_post_tb.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_post_tb.mod' due to: qs_scf_post_tb.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_tb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod kpoint_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod preconditioner_types.mod xtb_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod cp_result_types.mod particle_list_types.mod atomic_kind_types.mod qs_dftb_types.mod cp_blacs_env.mod input_constants.mod molden_utils.mod mulliken.mod qs_mo_io.mod cp_dbcsr_operations.mod cp_result_methods.mod base_hooks.mod pw_methods.mod qs_rho_methods.mod cp_fm_struct.mod qs_energy_window.mod moments_utils.mod cp_output_handling.mod qs_dftb_utils.mod cp_array_utils.mod qs_pdos.mod task_list_methods.mod kinds.mod pw_env_methods.mod qs_scf_wfn_mix.mod population_analyses.mod cp_log_handling.mod machine.mod memory_utilities.mod qs_collocate_density.mod stm_images.mod mathconstants.mod qs_dos.mod qs_mo_methods.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_mo_occupation.mod cp_realspace_grid_cube.mod qs_elf_methods.mod qs_ot_eigensolver.mod qs_scf_csr_write.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_band_structure.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_band_structure.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_blacs_env.mod cp_parser_methods.mod base_hooks.mod qs_gamma2kp.mod cp_para_env.mod message_passing.mod kinds.mod kpoint_methods.mod string_utilities.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod mathconstants.mod cp_files.mod qs_scf_diagonalization.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_band_structure.F qs_band_structure.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:10:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_band_structure.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_band_structure.mod' due to: qs_band_structure.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_band_structure.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_blacs_env.mod cp_parser_methods.mod base_hooks.mod qs_gamma2kp.mod cp_para_env.mod message_passing.mod kinds.mod kpoint_methods.mod string_utilities.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod mathconstants.mod cp_files.mod qs_scf_diagonalization.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_post_se.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_se.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod cp_result_types.mod basis_set_types.mod atomic_kind_types.mod semi_empirical_types.mod orbital_pointers.mod qs_mo_io.mod cp_result_methods.mod base_hooks.mod qs_ks_methods.mod moments_utils.mod message_passing.mod cp_output_handling.mod kinds.mod ai_moments.mod cp_log_handling.mod mathconstants.mod cp_dbcsr_output.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_se.F qs_scf_post_se.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:11:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_post_se.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_post_se.mod' due to: qs_scf_post_se.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_se.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod cp_result_types.mod basis_set_types.mod atomic_kind_types.mod semi_empirical_types.mod orbital_pointers.mod qs_mo_io.mod cp_result_methods.mod base_hooks.mod qs_ks_methods.mod moments_utils.mod message_passing.mod cp_output_handling.mod kinds.mod ai_moments.mod cp_log_handling.mod mathconstants.mod cp_dbcsr_output.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_post_scf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_scf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod qs_scf_types.mod qs_environment_types.mod basis_set_output.mod localization_tb.mod lri_optimize_ri_basis.mod base_hooks.mod qs_scf_post_gpw.mod qs_scf_post_tb.mod qs_band_structure.mod qs_scf_post_se.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_scf.F qs_scf_post_scf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:11:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_post_scf.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_post_scf.mod' due to: qs_scf_post_scf.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_post_scf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod qs_scf_types.mod qs_environment_types.mod basis_set_output.mod localization_tb.mod lri_optimize_ri_basis.mod base_hooks.mod qs_scf_post_gpw.mod qs_scf_post_tb.mod qs_band_structure.mod qs_scf_post_se.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ec_efield_local.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ec_efield_local.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod ec_env_types.mod qs_environment_types.mod qs_energy_types.mod qs_period_efield_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod orbital_pointers.mod base_hooks.mod kinds.mod qs_moments.mod ai_moments.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ec_efield_local.F ec_efield_local.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:11:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ec_efield_local.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ec_efield_local.mod' due to: ec_efield_local.o /build/cp2k-6PcaEs/cp2k-8.1/src/ec_efield_local.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_force_types.mod ec_env_types.mod qs_environment_types.mod qs_energy_types.mod qs_period_efield_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod orbital_pointers.mod base_hooks.mod kinds.mod qs_moments.mod ai_moments.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xtb_ehess.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_ehess.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod xtb_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_environment_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod base_hooks.mod message_passing.mod kinds.mod ewald_methods_tb.mod mathconstants.mod xtb_coulomb.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_ehess.F xtb_ehess.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:11:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xtb_ehess.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xtb_ehess.mod' due to: xtb_ehess.o /build/cp2k-6PcaEs/cp2k-8.1/src/xtb_ehess.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod cp_control_types.mod xtb_types.mod ewald_pw_types.mod distribution_1d_types.mod qs_environment_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod base_hooks.mod message_passing.mod kinds.mod ewald_methods_tb.mod mathconstants.mod xtb_coulomb.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod xc_rho_cflags_types.mod hfx_types.mod qs_p_env_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_loc_types.mod kg_environment_types.mod qs_kind_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod input_section_types.mod xtb_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod xc_rho_set_types.mod qs_kpp1_env_types.mod lri_environment_types.mod atomic_kind_types.mod admm_types.mod input_constants.mod mulliken.mod cp_dbcsr_operations.mod base_hooks.mod cp_external_control.mod pw_methods.mod hfx_energy_potential.mod cp_fm_struct.mod qs_rho_methods.mod message_passing.mod cp_output_handling.mod kg_correction.mod kinds.mod qs_loc_methods.mod qs_rho0_ggrid.mod cp_fm_basic_linalg.mod lri_ks_methods.mod qs_gapw_densities.mod qs_vxc_atom.mod string_utilities.mod hartree_local_methods.mod cp_log_handling.mod machine.mod xc_derivatives.mod qs_collocate_density.mod qs_loc_utils.mod preconditioner.mod cp_gemm_interface.mod cp_files.mod qs_ks_atom.mod xtb_ehess.mod pw_poisson_methods.mod xc.mod qs_integrate_potential.mod cp_fm_vect.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_methods.F qs_linres_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:11:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_methods.mod' due to: qs_linres_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod xc_rho_cflags_types.mod hfx_types.mod qs_p_env_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_loc_types.mod kg_environment_types.mod qs_kind_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod input_section_types.mod xtb_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod xc_rho_set_types.mod qs_kpp1_env_types.mod lri_environment_types.mod atomic_kind_types.mod admm_types.mod input_constants.mod mulliken.mod cp_dbcsr_operations.mod base_hooks.mod cp_external_control.mod pw_methods.mod hfx_energy_potential.mod cp_fm_struct.mod qs_rho_methods.mod message_passing.mod cp_output_handling.mod kg_correction.mod kinds.mod qs_loc_methods.mod qs_rho0_ggrid.mod cp_fm_basic_linalg.mod lri_ks_methods.mod qs_gapw_densities.mod qs_vxc_atom.mod string_utilities.mod hartree_local_methods.mod cp_log_handling.mod machine.mod xc_derivatives.mod qs_collocate_density.mod qs_loc_utils.mod preconditioner.mod cp_gemm_interface.mod cp_files.mod qs_ks_atom.mod xtb_ehess.mod pw_poisson_methods.mod xc.mod qs_integrate_potential.mod cp_fm_vect.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_kpp1_env_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kpp1_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod qs_p_env_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_poisson_types.mod pw_env_types.mod pw_pool_types.mod input_section_types.mod xc_derivative_set_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_energy_types.mod qs_kpp1_env_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod pw_methods.mod cp_output_handling.mod kinds.mod qs_rho0_ggrid.mod qs_vxc_atom.mod qs_gapw_densities.mod xc_derivatives.mod hartree_local_methods.mod cp_log_handling.mod qs_ks_atom.mod pw_poisson_methods.mod xc.mod qs_integrate_potential.mod kahan_sum.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kpp1_env_methods.F qs_kpp1_env_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:11:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_kpp1_env_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_kpp1_env_methods.mod' due to: qs_kpp1_env_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_kpp1_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod qs_p_env_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_poisson_types.mod pw_env_types.mod pw_pool_types.mod input_section_types.mod xc_derivative_set_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_energy_types.mod qs_kpp1_env_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod pw_methods.mod cp_output_handling.mod kinds.mod qs_rho0_ggrid.mod qs_vxc_atom.mod qs_gapw_densities.mod xc_derivatives.mod hartree_local_methods.mod cp_log_handling.mod qs_ks_atom.mod pw_poisson_methods.mod xc.mod qs_integrate_potential.mod kahan_sum.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_p_env_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_p_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_p_env_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod preconditioner_types.mod input_section_types.mod qs_linres_types.mod qs_local_rho_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_kpp1_env_types.mod atomic_kind_types.mod hartree_local_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_atom_methods.mod qs_kpp1_env_methods.mod qs_ks_methods.mod qs_rho_methods.mod cp_fm_struct.mod cp_output_handling.mod qs_rho0_methods.mod kinds.mod qs_rho0_ggrid.mod string_utilities.mod cp_fm_basic_linalg.mod hartree_local_methods.mod cp_log_handling.mod qs_matrix_pools.mod cp_gemm_interface.mod cp_fm_cholesky.mod cp_fm_vect.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_p_env_methods.F qs_p_env_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:11:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_p_env_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_p_env_methods.mod' due to: qs_p_env_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_p_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_p_env_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod preconditioner_types.mod input_section_types.mod qs_linres_types.mod qs_local_rho_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_kpp1_env_types.mod atomic_kind_types.mod hartree_local_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_atom_methods.mod qs_kpp1_env_methods.mod qs_ks_methods.mod qs_rho_methods.mod cp_fm_struct.mod cp_output_handling.mod qs_rho0_methods.mod kinds.mod qs_rho0_ggrid.mod string_utilities.mod cp_fm_basic_linalg.mod hartree_local_methods.mod cp_log_handling.mod qs_matrix_pools.mod cp_gemm_interface.mod cp_fm_cholesky.mod cp_fm_vect.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'response_solver.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/response_solver.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod xc_rho_cflags_types.mod hfx_types.mod qs_p_env_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod kg_environment_types.mod qs_kind_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_force_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod xc_derivative_set_types.mod qs_environment_types.mod qs_mo_types.mod xc_rho_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod admm_types.mod qs_linres_methods.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_kinetic.mod qs_core_energies.mod pw_methods.mod qs_ks_methods.mod qs_p_env_methods.mod hfx_energy_potential.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod hfx_derivatives.mod kg_correction.mod qs_overlap.mod kinds.mod xc_derivatives.mod cp_log_handling.mod qs_collocate_density.mod cp_gemm_interface.mod pw_poisson_methods.mod xc.mod qs_integrate_potential.mod core_ppl.mod kg_tnadd_mat.mod core_ppnl.mod qs_vxc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/response_solver.F response_solver.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:11:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' response_solver.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'response_solver.mod' due to: response_solver.o /build/cp2k-6PcaEs/cp2k-8.1/src/response_solver.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod xc_rho_cflags_types.mod hfx_types.mod qs_p_env_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod kg_environment_types.mod qs_kind_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_force_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod xc_derivative_set_types.mod qs_environment_types.mod qs_mo_types.mod xc_rho_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod admm_types.mod qs_linres_methods.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_kinetic.mod qs_core_energies.mod pw_methods.mod qs_ks_methods.mod qs_p_env_methods.mod hfx_energy_potential.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod hfx_derivatives.mod kg_correction.mod qs_overlap.mod kinds.mod xc_derivatives.mod cp_log_handling.mod qs_collocate_density.mod cp_gemm_interface.mod pw_poisson_methods.mod xc.mod qs_integrate_potential.mod core_ppl.mod kg_tnadd_mat.mod core_ppnl.mod qs_vxc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'energy_corrections.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/energy_corrections.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod xc_rho_cflags_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod ec_env_types.mod qs_force_types.mod task_list_types.mod input_section_types.mod xc_derivative_set_types.mod distribution_1d_types.mod external_potential_types.mod qs_environment_types.mod distribution_2d_types.mod qs_energy_types.mod qs_mo_types.mod xc_rho_set_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_kinetic.mod ec_efield_local.mod qs_core_energies.mod dm_ls_scf_methods.mod pw_methods.mod qs_ks_methods.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod moments_utils.mod cp_output_handling.mod task_list_methods.mod qs_dispersion_pairpot.mod qs_overlap.mod kinds.mod qs_moments.mod qs_neighbor_lists.mod cp_fm_basic_linalg.mod xc_derivatives.mod cp_log_handling.mod qs_collocate_density.mod response_solver.mod cp_fm_diag.mod cp_fm_cholesky.mod iterate_matrix.mod mao_basis.mod pw_poisson_methods.mod qs_integrate_potential.mod xc.mod core_ppl.mod core_ppnl.mod qs_vxc.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/energy_corrections.F energy_corrections.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:11:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' energy_corrections.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'energy_corrections.mod' due to: energy_corrections.o /build/cp2k-6PcaEs/cp2k-8.1/src/energy_corrections.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod xc_rho_cflags_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod ec_env_types.mod qs_force_types.mod task_list_types.mod input_section_types.mod xc_derivative_set_types.mod distribution_1d_types.mod external_potential_types.mod qs_environment_types.mod distribution_2d_types.mod qs_energy_types.mod qs_mo_types.mod xc_rho_set_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_kinetic.mod ec_efield_local.mod qs_core_energies.mod dm_ls_scf_methods.mod pw_methods.mod qs_ks_methods.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod moments_utils.mod cp_output_handling.mod task_list_methods.mod qs_dispersion_pairpot.mod qs_overlap.mod kinds.mod qs_moments.mod qs_neighbor_lists.mod cp_fm_basic_linalg.mod xc_derivatives.mod cp_log_handling.mod qs_collocate_density.mod response_solver.mod cp_fm_diag.mod cp_fm_cholesky.mod iterate_matrix.mod mao_basis.mod pw_poisson_methods.mod qs_integrate_potential.mod xc.mod core_ppl.mod core_ppnl.mod qs_vxc.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_ot_scf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_scf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_ot_types.mod scf_control_types.mod qs_mo_types.mod cp_fm_types.mod qs_mo_occupation.mod qs_ot.mod cp_output_handling.mod cp_dbcsr_operations.mod cp_array_utils.mod kinds.mod qs_ot_minimizer.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_scf.F qs_ot_scf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:12:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_ot_scf.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_ot_scf.mod' due to: qs_ot_scf.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_ot_scf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qs_ot_types.mod scf_control_types.mod qs_mo_types.mod cp_fm_types.mod qs_mo_occupation.mod qs_ot.mod cp_output_handling.mod cp_dbcsr_operations.mod cp_array_utils.mod kinds.mod qs_ot_minimizer.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf_loop_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_loop_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod cp_para_types.mod kpoint_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_scf_methods.mod qs_scf_output.mod base_hooks.mod cp_external_control.mod qs_rho_methods.mod qs_mom_methods.mod qs_outer_scf.mod qs_mixing_utils.mod kinds.mod cp_log_handling.mod qs_mo_methods.mod qs_mo_occupation.mod qs_scf_diagonalization.mod qs_fb_env_methods.mod qs_gspace_mixing.mod qs_ot_scf.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_loop_utils.F qs_scf_loop_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:12:08 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf_loop_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf_loop_utils.mod' due to: qs_scf_loop_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf_loop_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod cp_para_types.mod kpoint_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_scf_methods.mod qs_scf_output.mod base_hooks.mod cp_external_control.mod qs_rho_methods.mod qs_mom_methods.mod qs_outer_scf.mod qs_mixing_utils.mod kinds.mod cp_log_handling.mod qs_mo_methods.mod qs_mo_occupation.mod qs_scf_diagonalization.mod qs_fb_env_methods.mod qs_gspace_mixing.mod qs_ot_scf.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_cdft_scf_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_scf_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod scf_control_types.mod qs_scf_types.mod qs_environment_types.mod cp_para_types.mod mathlib.mod input_constants.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:12:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_cdft_scf_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_cdft_scf_utils.mod' due to: qs_cdft_scf_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_cdft_scf_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod scf_control_types.mod qs_scf_types.mod qs_environment_types.mod cp_para_types.mod mathlib.mod input_constants.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_scf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_cdft_types.mod qs_block_davidson_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_charges_types.mod qs_scf_types.mod pw_pool_types.mod cp_fm_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod cp_result_types.mod atomic_kind_types.mod qs_scf_post_scf.mod input_constants.mod qs_mo_io.mod qs_ot.mod qs_scf_output.mod cp_dbcsr_operations.mod cp_result_methods.mod base_hooks.mod qs_ks_methods.mod qs_rho_methods.mod qs_outer_scf.mod qs_wf_history_methods.mod message_passing.mod cp_output_handling.mod kinds.mod qs_diis.mod cp_log_handling.mod machine.mod mathlib.mod qs_scf_initialization.mod preconditioner.mod qs_scf_loop_utils.mod qs_mo_methods.mod cp_files.mod qs_mo_occupation.mod qs_integrate_potential.mod kpoint_io.mod qs_cdft_scf_utils.mod qs_ot_scf.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf.F qs_scf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:12:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_scf.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf.F:1588:31: 1588 | alpha = alpha_ls | ^ Warning: ‘alpha_ls’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf.F:282:59: 282 | scf_control%outer_scf%have_scf = outer_scf_loop | ^ Warning: ‘outer_scf_loop’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf.F:281:45: 281 | scf_control%max_scf = max_scf_tmp | ^ Warning: ‘max_scf_tmp’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_scf.mod' due to: qs_scf.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_scf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_cdft_types.mod qs_block_davidson_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_charges_types.mod qs_scf_types.mod pw_pool_types.mod cp_fm_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod cp_result_types.mod atomic_kind_types.mod qs_scf_post_scf.mod input_constants.mod qs_mo_io.mod qs_ot.mod qs_scf_output.mod cp_dbcsr_operations.mod cp_result_methods.mod base_hooks.mod qs_ks_methods.mod qs_rho_methods.mod qs_outer_scf.mod qs_wf_history_methods.mod message_passing.mod cp_output_handling.mod kinds.mod qs_diis.mod cp_log_handling.mod machine.mod mathlib.mod qs_scf_initialization.mod preconditioner.mod qs_scf_loop_utils.mod qs_mo_methods.mod cp_files.mod qs_mo_occupation.mod qs_integrate_potential.mod kpoint_io.mod qs_cdft_scf_utils.mod qs_ot_scf.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_tp_scf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tp_scf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod xas_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_charges_types.mod qs_scf_types.mod cp_fm_types.mod preconditioner_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod qs_scf_output.mod base_hooks.mod cp_external_control.mod qs_ks_methods.mod qs_rho_methods.mod message_passing.mod cp_output_handling.mod cp_array_utils.mod qs_mixing_utils.mod kinds.mod qs_loc_methods.mod xas_restart.mod cp_log_handling.mod machine.mod qs_scf_initialization.mod particle_methods.mod preconditioner.mod qs_scf.mod qs_mo_methods.mod qs_mo_occupation.mod qs_ot_eigensolver.mod qs_scf_diagonalization.mod qs_gspace_mixing.mod xas_control.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tp_scf.F xas_tp_scf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:12:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tp_scf.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_tp_scf.mod' due to: xas_tp_scf.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tp_scf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod xas_env_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_charges_types.mod qs_scf_types.mod cp_fm_types.mod preconditioner_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod qs_scf_output.mod base_hooks.mod cp_external_control.mod qs_ks_methods.mod qs_rho_methods.mod message_passing.mod cp_output_handling.mod cp_array_utils.mod qs_mixing_utils.mod kinds.mod qs_loc_methods.mod xas_restart.mod cp_log_handling.mod machine.mod qs_scf_initialization.mod particle_methods.mod preconditioner.mod qs_scf.mod qs_mo_methods.mod qs_mo_occupation.mod qs_ot_eigensolver.mod qs_scf_diagonalization.mod qs_gspace_mixing.mod xas_control.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_fm_pool_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod xas_env_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod qs_mo_io.mod cp_dbcsr_operations.mod xas_tp_scf.mod base_hooks.mod cp_external_control.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_array_utils.mod qs_pdos.mod kinds.mod qs_diis.mod qs_loc_methods.mod xas_restart.mod cp_log_handling.mod qs_matrix_pools.mod qs_scf_initialization.mod xas_control.mod memory_utilities.mod qs_loc_utils.mod ai_overlap.mod particle_methods.mod cp_gemm_interface.mod qs_scf.mod qs_mo_methods.mod qs_operators_ao.mod ai_contraction.mod periodic_table.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_methods.F xas_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:12:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_methods.mod' due to: xas_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_fm_pool_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod xas_env_types.mod cp_control_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod qs_mo_io.mod cp_dbcsr_operations.mod xas_tp_scf.mod base_hooks.mod cp_external_control.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_array_utils.mod qs_pdos.mod kinds.mod qs_diis.mod qs_loc_methods.mod xas_restart.mod cp_log_handling.mod qs_matrix_pools.mod qs_scf_initialization.mod xas_control.mod memory_utilities.mod qs_loc_utils.mod ai_overlap.mod particle_methods.mod cp_gemm_interface.mod qs_scf.mod qs_mo_methods.mod qs_operators_ao.mod ai_contraction.mod periodic_table.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'et_coupling_proj.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling_proj.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod basis_set_types.mod atomic_kind_types.mod cp_blacs_env.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_output_handling.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_collocate_density.mod cp_gemm_interface.mod qs_mo_methods.mod cp_fm_diag.mod qs_mo_occupation.mod cp_realspace_grid_cube.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling_proj.F et_coupling_proj.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:12:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' et_coupling_proj.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'et_coupling_proj.mod' due to: et_coupling_proj.o /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling_proj.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod basis_set_types.mod atomic_kind_types.mod cp_blacs_env.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_output_handling.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_collocate_density.mod cp_gemm_interface.mod qs_mo_methods.mod cp_fm_diag.mod qs_mo_occupation.mod cp_realspace_grid_cube.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_tdp_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod cp_para_types.mod qs_loc_types.mod cp_fm_types.mod input_section_types.mod distribution_2d_types.mod input_constants.mod base_hooks.mod qs_grid_atom.mod cp_para_env.mod cp_array_utils.mod kinds.mod qs_harmonics_atom.mod libint_wrapper.mod mathlib.mod memory_utilities.mod cp_files.mod libint_2c_3c.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_types.F xas_tdp_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:12:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_tdp_types.mod' due to: xas_tdp_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_ot_types.mod cp_para_types.mod qs_loc_types.mod cp_fm_types.mod input_section_types.mod distribution_2d_types.mod input_constants.mod base_hooks.mod qs_grid_atom.mod cp_para_env.mod cp_array_utils.mod kinds.mod qs_harmonics_atom.mod libint_wrapper.mod mathlib.mod memory_utilities.mod cp_files.mod libint_2c_3c.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_tdp_integrals.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_o3c_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod eri_mme_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod distribution_2d_types.mod basis_set_types.mod qs_neighbor_list_types.mod xas_tdp_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod orbital_pointers.mod constants_operator.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod eri_mme_integrate.mod cp_array_utils.mod kinds.mod generic_os_integrals.mod qs_neighbor_lists.mod qs_integral_utils.mod libint_wrapper.mod cp_eri_mme_interface.mod mathlib.mod particle_methods.mod t_c_g0.mod cp_files.mod ai_contraction_sphi.mod libint_2c_3c.mod gamma.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_integrals.F xas_tdp_integrals.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:12:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_integrals.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_integrals.F:486:96: 486 | !$OMP iabc,sabc,jset,kset,ncob,ncoc,sgfb,sgfc,egfb,egfc,sabc_ext,cpp_buffer,ccp_buffer) | ^ Warning: ‘my_eps_screen’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_tdp_integrals.mod' due to: xas_tdp_integrals.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_o3c_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod eri_mme_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod distribution_2d_types.mod basis_set_types.mod qs_neighbor_list_types.mod xas_tdp_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod orbital_pointers.mod constants_operator.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod eri_mme_integrate.mod cp_array_utils.mod kinds.mod generic_os_integrals.mod qs_neighbor_lists.mod qs_integral_utils.mod libint_wrapper.mod cp_eri_mme_interface.mod mathlib.mod particle_methods.mod t_c_g0.mod cp_files.mod ai_contraction_sphi.mod libint_2c_3c.mod gamma.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_tdp_atom.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod xc_rho_cflags_types.mod qs_rho_types.mod xc_derivative_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod input_section_types.mod xc_derivative_set_types.mod qs_environment_types.mod xc_rho_set_types.mod basis_set_types.mod qs_neighbor_list_types.mod xas_tdp_types.mod xas_tdp_integrals.mod cp_blacs_env.mod input_constants.mod orbital_pointers.mod orbital_transformation_matrices.mod lebedev.mod cp_dbcsr_operations.mod atom_operators.mod base_hooks.mod spherical_harmonics.mod qs_grid_atom.mod cp_para_env.mod cp_dbcsr_cholesky.mod message_passing.mod cp_array_utils.mod qs_overlap.mod kinds.mod qs_harmonics_atom.mod qs_integral_utils.mod xc_derivatives.mod cp_log_handling.mod mathlib.mod memory_utilities.mod particle_methods.mod mathconstants.mod xc_atom.mod xc.mod ai_contraction_sphi.mod libint_2c_3c.mod util.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F xas_tdp_atom.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:12:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_atom.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:414:58: 414 | grid_atom%rad(1:new_nr) = grid_atom%rad(first_ir:nr) | ^ Warning: ‘first_ir’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:396:68: 396 | INTEGER :: first_ir, ir, llmax_p1, na, new_nr, nr | ^ note: ‘first_ir’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1132:63: 1132 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: dso | ^ Warning: ‘dso.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1133:70: 1133 | REAL(dp), DIMENSION(:, :), POINTER :: dgr1, dgr2, ga, gr, ri_sphi_so, zet | ^ Warning: ‘dgr2.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1133:70: Warning: ‘dgr2.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1133:70: Warning: ‘dgr2.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1133:70: Warning: ‘dgr2.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1133:70: Warning: ‘dgr2.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1228:85: 1228 | dgr2(:, iso_proc:iso_proc), nr, 1.0_dp, dso(:, :, dir), na) | ^ Warning: ‘dgr2.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1133:64: 1133 | REAL(dp), DIMENSION(:, :), POINTER :: dgr1, dgr2, ga, gr, ri_sphi_so, zet | ^ Warning: ‘dgr1.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1133:64: Warning: ‘dgr1.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1133:64: Warning: ‘dgr1.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1133:64: Warning: ‘dgr1.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1133:64: Warning: ‘dgr1.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1226:85: 1226 | dgr1(:, iso_proc:iso_proc), nr, 0.0_dp, dso(:, :, dir), na) | ^ Warning: ‘dgr1.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:70: 1134 | REAL(dp), DIMENSION(:, :, :), POINTER :: dga1, dga2, rhoa, rhob | ^ Warning: ‘dga2.dim[2].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: ‘dga2.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: ‘dga2.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: ‘dga2.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: ‘dga2.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: ‘dga2.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:70: Warning: ‘dga2.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:64: 1134 | REAL(dp), DIMENSION(:, :, :), POINTER :: dga1, dga2, rhoa, rhob | ^ Warning: ‘dga1.dim[2].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: ‘dga1.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: ‘dga1.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: ‘dga1.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: ‘dga1.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: ‘dga1.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1134:64: Warning: ‘dga1.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1315:68: 1315 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos | ^ Warning: ‘dsgf.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: ‘dsgf.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: ‘dsgf.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: ‘dsgf.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1553:37: 1553 | IF (do_gga) dsgf = 0.0_dp | ^ Warning: ‘dsgf.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1315:68: 1315 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos | ^ note: ‘dsgf.dim[0].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F:1315:68: Warning: ‘dsgf.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_tdp_atom.mod' due to: xas_tdp_atom.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_atom.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod xc_rho_cflags_types.mod qs_rho_types.mod xc_derivative_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod input_section_types.mod xc_derivative_set_types.mod qs_environment_types.mod xc_rho_set_types.mod basis_set_types.mod qs_neighbor_list_types.mod xas_tdp_types.mod xas_tdp_integrals.mod cp_blacs_env.mod input_constants.mod orbital_pointers.mod orbital_transformation_matrices.mod lebedev.mod cp_dbcsr_operations.mod atom_operators.mod base_hooks.mod spherical_harmonics.mod qs_grid_atom.mod cp_para_env.mod cp_dbcsr_cholesky.mod message_passing.mod cp_array_utils.mod qs_overlap.mod kinds.mod qs_harmonics_atom.mod qs_integral_utils.mod xc_derivatives.mod cp_log_handling.mod mathlib.mod memory_utilities.mod particle_methods.mod mathconstants.mod xc_atom.mod xc.mod ai_contraction_sphi.mod libint_2c_3c.mod util.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_tdp_kernel.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_kernel.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod xas_tdp_types.mod qs_environment_types.mod cp_para_types.mod distribution_2d_types.mod message_passing.mod particle_methods.mod cp_dbcsr_operations.mod util.mod kinds.mod base_hooks.mod qs_integral_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_kernel.F xas_tdp_kernel.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:13:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_kernel.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_tdp_kernel.mod' due to: xas_tdp_kernel.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_kernel.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod xas_tdp_types.mod qs_environment_types.mod cp_para_types.mod distribution_2d_types.mod message_passing.mod particle_methods.mod cp_dbcsr_operations.mod util.mod kinds.mod base_hooks.mod qs_integral_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_tdp_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod preconditioner_types.mod qs_environment_types.mod qs_mo_types.mod xas_tdp_types.mod cp_cfm_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cholesky.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod mathlib.mod cp_cfm_diag.mod cp_dbcsr_diag.mod cp_gemm_interface.mod qs_mo_methods.mod cp_fm_diag.mod cp_cfm_basic_linalg.mod xas_tdp_kernel.mod qs_ot_eigensolver.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_utils.F xas_tdp_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:13:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_tdp_utils.mod' due to: xas_tdp_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_fm_types.mod preconditioner_types.mod qs_environment_types.mod qs_mo_types.mod xas_tdp_types.mod cp_cfm_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cholesky.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod mathlib.mod cp_cfm_diag.mod cp_dbcsr_diag.mod cp_gemm_interface.mod qs_mo_methods.mod cp_fm_diag.mod cp_cfm_basic_linalg.mod xas_tdp_kernel.mod qs_ot_eigensolver.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_tdp_correction.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_correction.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod xas_tdp_types.mod cp_cfm_types.mod admm_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod cp_fm_struct.mod message_passing.mod cp_array_utils.mod bibliography.mod kinds.mod physcon.mod cp_log_handling.mod machine.mod cp_cfm_diag.mod cp_gemm_interface.mod cp_fm_diag.mod hfx_admm_utils.mod admm_utils.mod xas_tdp_kernel.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_correction.F xas_tdp_correction.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:13:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_correction.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_correction.F:516:46: 516 | nbatch_occ = MAX(1, nblk_occ/batch_size) | ^ Warning: ‘nblk_occ’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_correction.F:517:48: 517 | nbatch_virt = MAX(1, nblk_virt/batch_size) | ^ Warning: ‘nblk_virt’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_tdp_correction.mod' due to: xas_tdp_correction.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_correction.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod xas_tdp_types.mod cp_cfm_types.mod admm_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod cp_fm_struct.mod message_passing.mod cp_array_utils.mod bibliography.mod kinds.mod physcon.mod cp_log_handling.mod machine.mod cp_cfm_diag.mod cp_gemm_interface.mod cp_fm_diag.mod hfx_admm_utils.mod admm_utils.mod xas_tdp_kernel.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xas_tdp_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod qs_rho_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod xas_tdp_types.mod atomic_kind_types.mod admm_types.mod xas_tdp_integrals.mod cp_blacs_env.mod input_constants.mod xas_methods.mod cp_dbcsr_operations.mod base_hooks.mod xc_write_output.mod xas_tdp_atom.mod cp_fm_struct.mod message_passing.mod xas_tdp_utils.mod cp_output_handling.mod qs_pdos.mod qs_interactions.mod kinds.mod qs_loc_methods.mod physcon.mod cp_fm_basic_linalg.mod libint_wrapper.mod cp_log_handling.mod input_cp2k_dft.mod machine.mod mathlib.mod memory_utilities.mod qs_loc_utils.mod particle_methods.mod cp_gemm_interface.mod qs_mo_methods.mod cp_files.mod cp_fm_diag.mod admm_utils.mod xas_tdp_correction.mod util.mod qs_operators_ao.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F xas_tdp_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:14:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xas_tdp_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2514:26: 2514 | nmo = SIZE(lr_evals) | ^ Warning: ‘lr_evals.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2514:26: Warning: ‘lr_evals.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2443:68: 2443 | REAL(dp), DIMENSION(:), POINTER :: lr_evals | ^ Warning: ‘lr_evals.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2443:68: Warning: ‘lr_evals.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2612:33: 2612 | IF (nspins == 1 .AND. ndo_mo == 1) THEN | ^ Warning: ‘nspins’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:1501:41: 1501 | ALLOCATE (my_mos(n_states, nspins)) | ^ Warning: ‘n_states’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2056:27: 2056 | nosc = SIZE(lr_evals) | ^ Warning: ‘lr_evals.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2056:27: Warning: ‘lr_evals.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2105:63: 2105 | osc_str(:) = pref*2.0_dp/3.0_dp*lr_evals(:)*osc_str(:) | ^ Warning: ‘lr_evals.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2105:63: Warning: ‘lr_evals.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2054:28: 2054 | ndo_so = ndo_mo*nspins | ^ Warning: ‘nspins’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2170:27: 2170 | nosc = SIZE(lr_evals) | ^ Warning: ‘lr_evals.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2170:27: Warning: ‘lr_evals.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2229:100: 2229 | osc_str(:) = pref*1._dp/20._dp*a_fine**2*lr_evals(:)**3*(osc_str(:) - 1._dp/3._dp*trace(:)**2) | ^ Warning: ‘lr_evals.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2229:100: Warning: ‘lr_evals.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F:2168:28: 2168 | ndo_so = ndo_mo*nspins | ^ Warning: ‘nspins’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xas_tdp_methods.mod' due to: xas_tdp_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/xas_tdp_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod qs_rho_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod xas_tdp_types.mod atomic_kind_types.mod admm_types.mod xas_tdp_integrals.mod cp_blacs_env.mod input_constants.mod xas_methods.mod cp_dbcsr_operations.mod base_hooks.mod xc_write_output.mod xas_tdp_atom.mod cp_fm_struct.mod message_passing.mod xas_tdp_utils.mod cp_output_handling.mod qs_pdos.mod qs_interactions.mod kinds.mod qs_loc_methods.mod physcon.mod cp_fm_basic_linalg.mod libint_wrapper.mod cp_log_handling.mod input_cp2k_dft.mod machine.mod mathlib.mod memory_utilities.mod qs_loc_utils.mod particle_methods.mod cp_gemm_interface.mod qs_mo_methods.mod cp_files.mod cp_fm_diag.mod admm_utils.mod xas_tdp_correction.mod util.mod qs_operators_ao.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'et_coupling.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod mathlib.mod cp_gemm_interface.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling.F et_coupling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:14:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' et_coupling.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling.F:222:23: 222 | W_mat(1, 1) = Wbb | ^ Warning: ‘wbb’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling.F:223:23: 223 | W_mat(2, 2) = Waa | ^ Warning: ‘waa’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling.F:243:61: 243 | a(1) = (energy%total + strength*Wbb)*Sda - strength*Wda | ^ Warning: ‘strength’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'et_coupling.mod' due to: et_coupling.o /build/cp2k-6PcaEs/cp2k-8.1/src/et_coupling.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod mathlib.mod cp_gemm_interface.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_ri_libint.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_libint.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod mp2_types.mod cp_blacs_env.mod input_constants.mod orbital_pointers.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod message_passing.mod kinds.mod t_sh_p_s_c.mod cp_fm_basic_linalg.mod libint_wrapper.mod hfx_screening_methods.mod cp_files.mod cp_fm_diag.mod cp_fm_cholesky.mod hfx_pair_list_methods.mod gamma.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_libint.F mp2_ri_libint.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:14:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_ri_libint.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_libint.F:1311:3: 1311 | FUNCTION calc_cond_num(matrix, size_matrix) RESULT(cond_num) | ^ Warning: ‘calc_cond_num’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_ri_libint.mod' due to: mp2_ri_libint.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_libint.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod mp2_types.mod cp_blacs_env.mod input_constants.mod orbital_pointers.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod message_passing.mod kinds.mod t_sh_p_s_c.mod cp_fm_basic_linalg.mod libint_wrapper.mod hfx_screening_methods.mod cp_files.mod cp_fm_diag.mod cp_fm_cholesky.mod hfx_pair_list_methods.mod gamma.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_direct_method.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_direct_method.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod input_constants.mod orbital_pointers.mod mp2_ri_libint.mod base_hooks.mod hfx_energy_potential.mod message_passing.mod kinds.mod t_sh_p_s_c.mod libint_wrapper.mod cp_log_handling.mod mathconstants.mod hfx_load_balance_methods.mod hfx_pair_list_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_direct_method.F mp2_direct_method.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:14:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_direct_method.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_direct_method.F:978:64: 978 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec | ^ Warning: ‘s_offset_rec’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_direct_method.F:977:93: 977 | index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, & | ^ Warning: ‘r_offset_rec’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_direct_method.F:742:87: 742 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec) | ^ Warning: ‘ssize_rec’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_direct_method.F:126:21: 126 | S_offset_rec, same_size_kl_index, sphi_a_u1, sphi_a_u2, sphi_a_u3, sphi_b_u1, sphi_b_u2, & | ^ Warning: ‘s_offset_rec’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_direct_method.F:125:86: 125 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & | ^ Warning: ‘rsize_rec’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_direct_method.F:125:75: 125 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & | ^ Warning: ‘r_offset_rec’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_direct_method.F:562:96: 562 | task_counter_RS(global_counter, 4) = task_counter_RS(global_counter, 4) + 1 | ^ Warning: ‘global_counter’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_direct_method.mod' due to: mp2_direct_method.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_direct_method.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod cell_types.mod qs_environment_types.mod mp2_types.mod input_constants.mod orbital_pointers.mod mp2_ri_libint.mod base_hooks.mod hfx_energy_potential.mod message_passing.mod kinds.mod t_sh_p_s_c.mod libint_wrapper.mod cp_log_handling.mod mathconstants.mod hfx_load_balance_methods.mod hfx_pair_list_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_optimize_ri_basis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_optimize_ri_basis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod qs_kind_types.mod basis_set_container_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod mp2_types.mod orbital_pointers.mod mp2_ri_libint.mod base_hooks.mod orbital_symbols.mod cp_para_env.mod message_passing.mod kinds.mod libint_wrapper.mod cp_log_handling.mod machine.mod memory_utilities.mod util.mod mp2_direct_method.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:14:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_optimize_ri_basis.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_optimize_ri_basis.F:942:87: 942 | max_min_exp_per_l(1, la) = MAX(max_min_exp_per_l(1, la), exp_limits(1, ikind)) | ^ Warning: ‘la’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_optimize_ri_basis.F:892:68: 892 | iset, la | ^ note: ‘la’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_optimize_ri_basis.mod' due to: mp2_optimize_ri_basis.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_optimize_ri_basis.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod qs_kind_types.mod basis_set_container_types.mod qs_environment_types.mod basis_set_types.mod atomic_kind_types.mod mp2_types.mod orbital_pointers.mod mp2_ri_libint.mod base_hooks.mod orbital_symbols.mod cp_para_env.mod message_passing.mod kinds.mod libint_wrapper.mod cp_log_handling.mod machine.mod memory_utilities.mod util.mod mp2_direct_method.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'group_dist_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/group_dist_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod util.mod message_passing.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/group_dist_types.F group_dist_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:14:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' group_dist_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'group_dist_types.mod' due to: group_dist_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/group_dist_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod base_hooks.mod util.mod message_passing.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_eri_gpw.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri_gpw.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod pw_methods.mod ao_util.mod message_passing.mod task_list_methods.mod kinds.mod pw_env_methods.mod qs_collocate_density.mod pw_poisson_methods.mod qs_integrate_potential.mod rs_pw_interface.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri_gpw.F mp2_eri_gpw.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:14:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_eri_gpw.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_eri_gpw.mod' due to: mp2_eri_gpw.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri_gpw.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod pw_methods.mod ao_util.mod message_passing.mod task_list_methods.mod kinds.mod pw_env_methods.mod qs_collocate_density.mod pw_poisson_methods.mod qs_integrate_potential.mod rs_pw_interface.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_cphf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_cphf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod mp2_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod qs_rho_methods.mod hfx_energy_potential.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod mp2_eri_gpw.mod machine.mod qs_collocate_density.mod mathconstants.mod cp_gemm_interface.mod linear_systems.mod pw_poisson_methods.mod qs_integrate_potential.mod kahan_sum.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_cphf.F mp2_cphf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:14:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_cphf.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_cphf.F:1814:27: 1814 | DEALLOCATE (Ax_ba) | ^ Warning: ‘ax_ba.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_cphf.F:1812:27: 1812 | DEALLOCATE (Ax_bb) | ^ Warning: ‘ax_bb.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_cphf.F:1813:27: 1813 | DEALLOCATE (Ax_ab) | ^ Warning: ‘ax_ab.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_cphf.F:1811:26: 1811 | DEALLOCATE (xn_b) | ^ Warning: ‘xn_b.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_cphf.mod' due to: mp2_cphf.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_cphf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod virial_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod qs_force_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod mp2_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod qs_rho_methods.mod hfx_energy_potential.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod mp2_eri_gpw.mod machine.mod qs_collocate_density.mod mathconstants.mod cp_gemm_interface.mod linear_systems.mod pw_poisson_methods.mod qs_integrate_potential.mod kahan_sum.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'minimax_rpa.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_rpa.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_rpa.F minimax_rpa.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/minimax/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minimax_rpa.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_rpa.F:10164:33: 10164 | E_ratio = E_ratio/1.5_dp | ^ Warning: ‘e_ratio’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_rpa.F:10129:67: 10129 | REAL(KIND=dp) :: E_ratio | ^ note: ‘e_ratio’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'minimax_rpa.mod' due to: minimax_rpa.o /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_rpa.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'minimax_exp_gw.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_gw.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_gw.F minimax_exp_gw.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/minimax/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' minimax_exp_gw.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_gw.F:80:33: 80 | E_ratio = E_ratio/1.5_dp | ^ Warning: ‘e_ratio’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_gw.F:45:67: 45 | REAL(KIND=dp) :: E_ratio | ^ note: ‘e_ratio’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'minimax_exp_gw.mod' due to: minimax_exp_gw.o /build/cp2k-6PcaEs/cp2k-8.1/src/minimax/minimax_exp_gw.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_grids.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_grids.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kpoint_types.mod qs_environment_types.mod cp_fm_types.mod qs_mo_types.mod mp2_types.mod machine.mod cp_para_env.mod message_passing.mod minimax_exp.mod mathconstants.mod kinds.mod base_hooks.mod minimax_rpa.mod minimax_exp_gw.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_grids.F mp2_grids.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_grids.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_grids.F:489:10: 489 | IF (ABS(left_term + right_term) >= conv_param) THEN | ^ Warning: ‘left_term’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_grids.F:490:13: 490 | IF (a_scaling >= 2*num_integ_points*step) THEN | ^ Warning: ‘a_scaling’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_grids.mod' due to: mp2_grids.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_grids.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod kpoint_types.mod qs_environment_types.mod cp_fm_types.mod qs_mo_types.mod mp2_types.mod machine.mod cp_para_env.mod message_passing.mod minimax_exp.mod mathconstants.mod kinds.mod base_hooks.mod minimax_rpa.mod minimax_exp_gw.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_im_time.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_im_time.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod machine.mod mathconstants.mod cp_gemm_interface.mod qs_tensors.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_im_time.F rpa_im_time.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_im_time.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_im_time.F:370:52: 370 | occ_O = occ_O + occ | ^ Warning: ‘occ_o’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_im_time.F:452:56: 452 | occ_M_virt = occ_M_virt + occ | ^ Warning: ‘occ_m_virt’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_im_time.F:407:54: 407 | occ_M_occ = occ_M_occ + occ | ^ Warning: ‘occ_m_occ’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_im_time.F:369:52: 369 | nze_O = nze_O + nze | ^ Warning: ‘nze_o’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_im_time.F:451:56: 451 | nze_M_virt = nze_M_virt + nze | ^ Warning: ‘nze_m_virt’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_im_time.F:406:54: 406 | nze_M_occ = nze_M_occ + nze | ^ Warning: ‘nze_m_occ’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_im_time.mod' due to: rpa_im_time.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_im_time.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod machine.mod mathconstants.mod cp_gemm_interface.mod qs_tensors.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_gw_kpoints.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_kpoints.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod cp_fm_types.mod qs_environment_types.mod basis_set_types.mod cp_cfm_types.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod rpa_im_time.mod kinds.mod qs_integral_utils.mod cp_fm_basic_linalg.mod mathlib.mod particle_methods.mod mathconstants.mod cp_cfm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_kpoints.F rpa_gw_kpoints.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_gw_kpoints.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_kpoints.F:793:33: 793 | SUBROUTINE trace_for_self_ener(mat_contr_W_re, mat_contr_W_im, n_level_gw, jquad, & | ^ Warning: ‘trace_for_self_ener’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_kpoints.F:916:45: 916 | SUBROUTINE trafo_I_T_R1_plus_S2_to_M_R1_S2(mat_I_muP_occ_re, mat_I_muP_virt_re, & | ^ Warning: ‘trafo_i_t_r1_plus_s2_to_m_r1_s2’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_kpoints.F:1024:34: 1024 | SUBROUTINE compute_G_real_space(mat_dm_occ_S, mat_dm_virt_S, qs_env, num_integ_points, & | ^ Warning: ‘compute_g_real_space’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_kpoints.F:1105:51: 1105 | SUBROUTINE compute_cell_vec_for_R1_plus_S2_or_R1(index_to_cell_R1_plus_S2, cell_to_index_3c, & | ^ Warning: ‘compute_cell_vec_for_r1_plus_s2_or_r1’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_kpoints.F:1213:37: 1213 | SUBROUTINE compute_cell_vec_for_R2(index_to_cell_R2, cell_to_index_R2, num_cells_R2, unit_nr, & | ^ Warning: ‘compute_cell_vec_for_r2’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_kpoints.F:301:81: 301 | weight_im*AIMAG(cfm_mat_work_2%local_data(irow, jcol)) | ^ Warning: ‘weight_re’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_kpoints.F:301:81: Warning: ‘weight_im’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_gw_kpoints.mod' due to: rpa_gw_kpoints.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_kpoints.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod cp_fm_types.mod qs_environment_types.mod basis_set_types.mod cp_cfm_types.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod rpa_im_time.mod kinds.mod qs_integral_utils.mod cp_fm_basic_linalg.mod mathlib.mod particle_methods.mod mathconstants.mod cp_cfm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_laplace.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_laplace.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_laplace.F mp2_laplace.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_laplace.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_laplace.mod' due to: mp2_laplace.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_laplace.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_ri_grad_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_grad_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod message_passing.mod cp_dbcsr_operations.mod util.mod cp_gemm_interface.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_grad_util.F mp2_ri_grad_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_ri_grad_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_ri_grad_util.mod' due to: mp2_ri_grad_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_grad_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod message_passing.mod cp_dbcsr_operations.mod util.mod cp_gemm_interface.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_communication.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_communication.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod cp_fm_struct.mod mp2_ri_grad_util.mod cp_blacs_env.mod message_passing.mod cp_dbcsr_operations.mod util.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_communication.F rpa_communication.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_communication.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_communication.mod' due to: rpa_communication.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_communication.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod cp_fm_struct.mod mp2_ri_grad_util.mod cp_blacs_env.mod message_passing.mod cp_dbcsr_operations.mod util.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_fm_types.mod qs_environment_types.mod cp_cfm_types.mod mp2_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod rpa_gw_kpoints.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod machine.mod mp2_laplace.mod mathconstants.mod cp_gemm_interface.mod cp_fm_cholesky.mod rpa_communication.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_util.F rpa_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_util.mod' due to: rpa_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod cp_fm_types.mod qs_environment_types.mod cp_cfm_types.mod mp2_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod rpa_gw_kpoints.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod machine.mod mp2_laplace.mod mathconstants.mod cp_gemm_interface.mod cp_fm_cholesky.mod rpa_communication.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_axk.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_axk.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod atomic_kind_types.mod mp2_types.mod cp_dbcsr_operations.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod kinds.mod cp_fm_basic_linalg.mod cp_gemm_interface.mod cp_fm_diag.mod rpa_communication.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_axk.F rpa_axk.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_axk.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_axk.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_axk.mod' due to: rpa_axk.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_axk.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod atomic_kind_types.mod mp2_types.mod cp_dbcsr_operations.mod base_hooks.mod hfx_energy_potential.mod cp_fm_struct.mod kinds.mod cp_fm_basic_linalg.mod cp_gemm_interface.mod cp_fm_diag.mod rpa_communication.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'bse.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/bse.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod message_passing.mod rpa_communication.mod cp_fm_cholesky.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/bse.F bse.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' bse.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'bse.mod' due to: bse.o /build/cp2k-6PcaEs/cp2k-8.1/src/bse.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod cp_fm_types.mod message_passing.mod rpa_communication.mod cp_fm_cholesky.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_kpoints.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_kpoints.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod cp_cfm_types.mod qs_environment_types.mod cp_para_types.mod kpoint_types.mod cp_fm_types.mod message_passing.mod cp_cfm_basic_linalg.mod rpa_gw_kpoints.mod cp_dbcsr_operations.mod mathconstants.mod rpa_im_time.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_kpoints.F rpa_kpoints.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:15:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_kpoints.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_kpoints.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_kpoints.mod' due to: rpa_kpoints.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_kpoints.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod cp_cfm_types.mod qs_environment_types.mod cp_para_types.mod kpoint_types.mod cp_fm_types.mod message_passing.mod cp_cfm_basic_linalg.mod rpa_gw_kpoints.mod cp_dbcsr_operations.mod mathconstants.mod rpa_im_time.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_gw_ic.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_ic.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_tensors_types.mod cp_fm_types.mod cp_para_types.mod mp2_types.mod message_passing.mod rpa_communication.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_ic.F rpa_gw_ic.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:16:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_gw_ic.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_ic.F:298:32: 298 | SUBROUTINE print_Neaton_value(fm_mat_M_occ, unit_nr, gw_corr_lev_occ, para_env, do_homo, do_lumo) | ^ Warning: ‘print_neaton_value’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_ic.F:359:31: 359 | SUBROUTINE update_coeff_homo(coeff_homo, fm_mat_U_occ, para_env, homo, gw_corr_lev_occ, do_lumo) | ^ Warning: ‘update_coeff_homo’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_ic.F:439:32: 439 | SUBROUTINE fill_fm_mat_M_virt(fm_mat_M_virt, mat_N_virt_dbcsr, matrix_s, Eigenval, gw_corr_lev_virt, homo, para_env) | ^ Warning: ‘fill_fm_mat_m_virt’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_ic.F:681:31: 681 | SUBROUTINE fill_fm_mat_M_occ(fm_mat_M_occ, mat_N_occ_dbcsr, matrix_s, Eigenval, gw_corr_lev_occ, homo, para_env) | ^ Warning: ‘fill_fm_mat_m_occ’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_ic.F:946:34: 946 | SUBROUTINE fill_coeff_dbcsr_occ(coeff_dbcsr, coeff, homo) | ^ Warning: ‘fill_coeff_dbcsr_occ’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_ic.F:992:35: 992 | SUBROUTINE fill_coeff_dbcsr_virt(coeff_dbcsr, coeff, homo) | ^ Warning: ‘fill_coeff_dbcsr_virt’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_gw_ic.mod' due to: rpa_gw_ic.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_ic.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_tensors_types.mod cp_fm_types.mod cp_para_types.mod mp2_types.mod message_passing.mod rpa_communication.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_gw_im_time_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_im_time_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_fm_types.mod qs_environment_types.mod basis_set_types.mod qs_tensors_types.mod atomic_kind_types.mod mp2_types.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod kinds.mod qs_integral_utils.mod particle_methods.mod rpa_communication.mod qs_tensors.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_im_time_util.F rpa_gw_im_time_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:16:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_gw_im_time_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_gw_im_time_util.mod' due to: rpa_gw_im_time_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw_im_time_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_fm_types.mod qs_environment_types.mod basis_set_types.mod qs_tensors_types.mod atomic_kind_types.mod mp2_types.mod cp_dbcsr_operations.mod base_hooks.mod message_passing.mod kinds.mod qs_integral_utils.mod particle_methods.mod rpa_communication.mod qs_tensors.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_gw.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod qs_ks_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod mp2_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_gamma2kp.mod cp_fm_struct.mod message_passing.mod rpa_gw_im_time_util.mod qs_overlap.mod kinds.mod qs_moments.mod qs_neighbor_lists.mod qs_integral_utils.mod cp_fm_basic_linalg.mod qs_band_structure.mod mathconstants.mod cp_gemm_interface.mod cp_files.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_tensors.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw.F rpa_gw.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:16:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_gw.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw.F:2959:63: 2959 | /REAL(degeneracy, KIND=dp) | ^ Warning: ‘first_degenerate_level’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw.F:3904:49: 3904 | qp_energy = qp_energy_old + 0.5_dp*delta | ^ Warning: ‘level_energ_gw’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw.F:3510:95: 3510 | REAL(KIND=dp) :: e_fermi, energy_val, level_energ_GW, & | ^ note: ‘level_energ_gw’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_gw.mod' due to: rpa_gw.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_gw.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod qs_ks_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod basis_set_types.mod qs_tensors_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod mp2_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_gamma2kp.mod cp_fm_struct.mod message_passing.mod rpa_gw_im_time_util.mod qs_overlap.mod kinds.mod qs_moments.mod qs_neighbor_lists.mod qs_integral_utils.mod cp_fm_basic_linalg.mod qs_band_structure.mod mathconstants.mod cp_gemm_interface.mod cp_files.mod cp_fm_diag.mod cp_fm_cholesky.mod qs_tensors.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_main.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_main.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod kpoint_types.mod cp_fm_types.mod qs_environment_types.mod group_dist_types.mod cp_cfm_types.mod mp2_types.mod cp_blacs_env.mod mp2_grids.mod input_constants.mod rpa_util.mod rpa_axk.mod bse.mod base_hooks.mod cp_fm_struct.mod mp2_ri_grad_util.mod cp_para_env.mod message_passing.mod rpa_im_time.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod machine.mod mp2_laplace.mod rpa_kpoints.mod mathconstants.mod rpa_gw_ic.mod rpa_communication.mod minimax_exp.mod util.mod rpa_gw.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_main.F rpa_main.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:16:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_main.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_main.mod' due to: rpa_main.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_main.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 hfx_types.mod cp_para_types.mod kpoint_types.mod cp_fm_types.mod qs_environment_types.mod group_dist_types.mod cp_cfm_types.mod mp2_types.mod cp_blacs_env.mod mp2_grids.mod input_constants.mod rpa_util.mod rpa_axk.mod bse.mod base_hooks.mod cp_fm_struct.mod mp2_ri_grad_util.mod cp_para_env.mod message_passing.mod rpa_im_time.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod machine.mod mp2_laplace.mod rpa_kpoints.mod mathconstants.mod rpa_gw_ic.mod rpa_communication.mod minimax_exp.mod util.mod rpa_gw.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_eri.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod eri_mme_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod ai_coulomb.mod message_passing.mod eri_mme_integrate.mod kinds.mod qs_integral_utils.mod cp_eri_mme_interface.mod ai_contraction_sphi.mod eri_mme_test.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F mp2_eri.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:16:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_eri.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1381:71: 1381 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘habdc_contr.dim[3].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1122:71: 1122 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, & | ^ Warning: ‘habdc_contr.dim[3].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1381:71: 1381 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘habdc_contr.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1122:71: 1122 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, & | ^ Warning: ‘habdc_contr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1381:71: 1381 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘habdc_contr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1122:71: 1122 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, & | ^ Warning: ‘habdc_contr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1376:71: 1376 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hadbc_contr.dim[3].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1122:99: 1122 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, & | ^ Warning: ‘hadbc_contr.dim[3].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1376:71: 1376 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hadbc_contr.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1122:99: 1122 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, & | ^ Warning: ‘hadbc_contr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1376:71: 1376 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hadbc_contr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1122:99: 1122 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, & | ^ Warning: ‘hadbc_contr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1371:71: 1371 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hdabc_contr.dim[3].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1123:86: 1123 | hadbc_uncontr, hdabc_contr, & | ^ Warning: ‘hdabc_contr.dim[3].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1371:71: 1371 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hdabc_contr.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1123:86: 1123 | hadbc_uncontr, hdabc_contr, & | ^ Warning: ‘hdabc_contr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1371:71: 1371 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hdabc_contr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1123:86: 1123 | hadbc_uncontr, hdabc_contr, & | ^ Warning: ‘hdabc_contr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1120:84: 1120 | habc_uncontr_d, pabc_hhh, & | ^ Warning: ‘pabc_hhh.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1120:84: Warning: ‘pabc_hhh.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1120:84: Warning: ‘pabc_hhh.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1176:89: 1176 | CALL eri_mme_set_potential(param, convert_potential_type(potential_type), omega) | ^ Warning: ‘res’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1381:71: 1381 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘habdc_uncontr.dim[3].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1122:86: 1122 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, & | ^ Warning: ‘habdc_uncontr.dim[3].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1381:71: 1381 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘habdc_uncontr.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1122:86: 1122 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, & | ^ Warning: ‘habdc_uncontr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1381:71: 1381 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘habdc_uncontr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1287:116: 1287 | habc_uncontr_d(ico, jco, kcoz)] | ^ Warning: ‘habdc_uncontr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1376:71: 1376 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hadbc_uncontr.dim[3].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1123:73: 1123 | hadbc_uncontr, hdabc_contr, & | ^ Warning: ‘hadbc_uncontr.dim[3].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1376:71: 1376 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hadbc_uncontr.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1123:73: 1123 | hadbc_uncontr, hdabc_contr, & | ^ Warning: ‘hadbc_uncontr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1376:71: 1376 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hadbc_uncontr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1281:116: 1281 | habc_uncontr_d(ico, jcoz, kco)] | ^ Warning: ‘hadbc_uncontr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1371:71: 1371 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hdabc_uncontr.dim[3].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1124:73: 1124 | hdabc_uncontr, v_work | ^ Warning: ‘hdabc_uncontr.dim[3].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1371:71: 1371 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hdabc_uncontr.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1124:73: 1124 | hdabc_uncontr, v_work | ^ Warning: ‘hdabc_uncontr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1371:71: 1371 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) | ^ Warning: ‘hdabc_uncontr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:1275:116: 1275 | habc_uncontr_d(icoz, jco, kco)] | ^ Warning: ‘hdabc_uncontr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:572:93: 572 | sphi_a(:, sgfa:), sphi_b(:, sgfb:), ncoa, ncob, nsgfa, nsgfb) | ^ Warning: ‘hdab_uncontr.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:572:93: Warning: ‘hdab_uncontr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:572:93: Warning: ‘hdab_uncontr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:519:93: 519 | hab_uncontr_d(icoz, jco)] | ^ Warning: ‘hdab_uncontr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:576:93: 576 | sphi_a(:, sgfa:), sphi_b(:, sgfb:), ncoa, ncob, nsgfa, nsgfb) | ^ Warning: ‘hadb_contr.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:407:70: 407 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hadb_contr, hadb_uncontr, hdab_contr, & | ^ Warning: ‘hadb_contr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:576:93: 576 | sphi_a(:, sgfa:), sphi_b(:, sgfb:), ncoa, ncob, nsgfa, nsgfb) | ^ Warning: ‘hadb_contr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:407:70: 407 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hadb_contr, hadb_uncontr, hdab_contr, & | ^ Warning: ‘hadb_contr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:572:93: 572 | sphi_a(:, sgfa:), sphi_b(:, sgfb:), ncoa, ncob, nsgfa, nsgfb) | ^ Warning: ‘hdab_contr.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:407:96: 407 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hadb_contr, hadb_uncontr, hdab_contr, & | ^ Warning: ‘hdab_contr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:572:93: 572 | sphi_a(:, sgfa:), sphi_b(:, sgfb:), ncoa, ncob, nsgfa, nsgfb) | ^ Warning: ‘hdab_contr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:407:96: 407 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hadb_contr, hadb_uncontr, hdab_contr, & | ^ Warning: ‘hdab_contr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:405:81: 405 | hab_uncontr_d, pab_hh, pab_hs, & | ^ Warning: ‘pab_hh.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:405:81: Warning: ‘pab_hh.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:456:89: 456 | CALL eri_mme_set_potential(param, convert_potential_type(potential_type), omega) | ^ Warning: ‘res’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:576:93: 576 | sphi_a(:, sgfa:), sphi_b(:, sgfb:), ncoa, ncob, nsgfa, nsgfb) | ^ Warning: ‘hadb_uncontr.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:407:84: 407 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hadb_contr, hadb_uncontr, hdab_contr, & | ^ Warning: ‘hadb_uncontr.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:576:93: 576 | sphi_a(:, sgfa:), sphi_b(:, sgfb:), ncoa, ncob, nsgfa, nsgfb) | ^ Warning: ‘hadb_uncontr.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:525:93: 525 | hab_uncontr_d(ico, jcoz)] | ^ Warning: ‘hadb_uncontr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F:744:13: 744 | IF (jatom /= last_jatom) THEN | ^ Warning: ‘last_jatom’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_eri.mod' due to: mp2_eri.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_eri.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod eri_mme_types.mod input_section_types.mod qs_environment_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod base_hooks.mod ai_coulomb.mod message_passing.mod eri_mme_integrate.mod kinds.mod qs_integral_utils.mod cp_eri_mme_interface.mod ai_contraction_sphi.mod eri_mme_test.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_ri_grad.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_grad.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_force_types.mod cp_fm_types.mod task_list_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod mp2_types.mod cp_blacs_env.mod input_constants.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod ao_util.mod cp_fm_struct.mod mp2_eri.mod cp_para_env.mod message_passing.mod kinds.mod mp2_eri_gpw.mod cp_eri_mme_interface.mod qs_collocate_density.mod mathconstants.mod cp_gemm_interface.mod pw_poisson_methods.mod qs_integrate_potential.mod rs_pw_interface.mod util.mod gaussian_gridlevels.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_grad.F mp2_ri_grad.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:17:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_ri_grad.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_grad.F:190:79: 190 | TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: G_P_ia, G_P_ia_beta, mat_munu_local, & | ^ Warning: ‘g_p_ia_beta.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_grad.F:190:79: Warning: ‘g_p_ia_beta.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_grad.F:919:33: 919 | DEALLOCATE (G_P_ia_beta) | ^ Warning: ‘g_p_ia_beta.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_grad.F:317:119: 317 | G_P_ia_beta(L_counter), matrix_P_inu_beta, mo_coeff_v_beta, mo_coeff_o_beta) | ^ Warning: ‘mo_coeff_v_beta’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_ri_grad.mod' due to: mp2_ri_grad.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_grad.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_force_types.mod cp_fm_types.mod task_list_types.mod qs_environment_types.mod basis_set_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod mp2_types.mod cp_blacs_env.mod input_constants.mod orbital_pointers.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod ao_util.mod cp_fm_struct.mod mp2_eri.mod cp_para_env.mod message_passing.mod kinds.mod mp2_eri_gpw.mod cp_eri_mme_interface.mod qs_collocate_density.mod mathconstants.mod cp_gemm_interface.mod pw_poisson_methods.mod qs_integrate_potential.mod rs_pw_interface.mod util.mod gaussian_gridlevels.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_ri_gpw.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_gpw.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod machine.mod mp2_ri_grad_util.mod cp_para_env.mod message_passing.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_gpw.F mp2_ri_gpw.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:17:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_ri_gpw.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_gpw.F:2582:68: 2582 | para_env_exchange%group) | ^ Warning: ‘send_k’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_gpw.F:2551:65: 2551 | para_env_exchange%group) | ^ Warning: ‘send_j’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_gpw.F:2524:65: 2524 | para_env_exchange%group) | ^ Warning: ‘send_i’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_gpw.F:720:45: 720 | gd_array%sizes(:) = sizes_array_orig | ^ Warning: ‘MEM[(struct array01_integer(kind=4) &)&sizes_array_orig].dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_ri_gpw.mod' due to: mp2_ri_gpw.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_gpw.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 group_dist_types.mod cp_para_types.mod mp2_types.mod machine.mod mp2_ri_grad_util.mod cp_para_env.mod message_passing.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_gpw_method.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod qs_environment_types.mod group_dist_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod message_passing.mod kinds.mod mp2_eri_gpw.mod machine.mod qs_collocate_density.mod qs_integrate_potential.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F mp2_gpw_method.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:18:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_gpw_method.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F:162:65: 162 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send | ^ Warning: ‘bib_c.dim[2].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F:162:65: Warning: ‘bib_c.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F:162:65: Warning: ‘bib_c.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F:566:65: 566 | - Eigenval(j + EX_start - 1)) | ^ Warning: ‘bib_c.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F:438:36: 438 | IF (calc_ex) BIb_C = 0.0_dp | ^ Warning: ‘bib_c.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F:535:127: 535 | /(Eigenval(a) + Eigenval(homo + b_global) - Eigenval(i + my_I_occupied_start - 1) - Eigenval(j)) | ^ Warning: ‘bib_c.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F:381:68: 381 | sub_sub_color = color_array(para_env_sub%mepos, my_q_position) | ^ Warning: ‘my_q_position’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F:335:94: 335 | my_I_occupied_end = my_I_occupied_start + vector_batch_I_size_group(i_group_counter) - 1 | ^ Warning: ‘i_group_counter’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_gpw_method.mod' due to: mp2_gpw_method.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw_method.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod qs_environment_types.mod group_dist_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_para_env.mod message_passing.mod kinds.mod mp2_eri_gpw.mod machine.mod qs_collocate_density.mod qs_integrate_potential.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'kpoint_coulomb_2c.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_coulomb_2c.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod cell_types.mod atomic_kind_types.mod kpoint_types.mod generic_shg_integrals.mod mathconstants.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_coulomb_2c.F kpoint_coulomb_2c.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:18:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' kpoint_coulomb_2c.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_coulomb_2c.F:207:44: 207 | k_z > z_max .OR. k_z < z_min) CYCLE | ^ Warning: ‘z_min’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_coulomb_2c.F:199:77: 199 | DO k_z_outer = z_min, z_max + nkp_grid(3), 2*nkp_grid(3) | ^ Warning: ‘z_max’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_coulomb_2c.F:207:44: 207 | k_z > z_max .OR. k_z < z_min) CYCLE | ^ Warning: ‘y_min’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_coulomb_2c.F:198:74: 198 | DO j_y_outer = y_min, y_max + nkp_grid(2), 2*nkp_grid(2) | ^ Warning: ‘y_max’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_coulomb_2c.F:181:38: 181 | z_min = -factor*nkp_grid(3)/2 | ^ Warning: ‘factor’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_coulomb_2c.F:207:44: 207 | k_z > z_max .OR. k_z < z_min) CYCLE | ^ Warning: ‘x_min’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_coulomb_2c.F:197:71: 197 | DO i_x_outer = x_min, x_max + nkp_grid(1), 2*nkp_grid(1) | ^ Warning: ‘x_max’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'kpoint_coulomb_2c.mod' due to: kpoint_coulomb_2c.o /build/cp2k-6PcaEs/cp2k-8.1/src/kpoint_coulomb_2c.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod basis_set_types.mod particle_types.mod cell_types.mod atomic_kind_types.mod kpoint_types.mod generic_shg_integrals.mod mathconstants.mod kinds.mod base_hooks.mod generic_shg_integrals_init.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_ri_2c.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_2c.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod qs_environment_types.mod distribution_2d_types.mod basis_set_types.mod group_dist_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod atomic_kind_types.mod mp2_types.mod cp_blacs_env.mod input_constants.mod constants_operator.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod mp2_eri.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod qs_interactions.mod kinds.mod qs_integral_utils.mod kpoint_methods.mod cp_fm_basic_linalg.mod mp2_eri_gpw.mod cp_eri_mme_interface.mod kpoint_coulomb_2c.mod particle_methods.mod cp_gemm_interface.mod cp_fm_diag.mod cp_fm_cholesky.mod libint_2c_3c.mod rpa_communication.mod cp_cfm_basic_linalg.mod qs_tensors.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_2c.F mp2_ri_2c.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:18:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_ri_2c.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_ri_2c.mod' due to: mp2_ri_2c.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_ri_2c.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod kpoint_types.mod cell_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod qs_environment_types.mod distribution_2d_types.mod basis_set_types.mod group_dist_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod atomic_kind_types.mod mp2_types.mod cp_blacs_env.mod input_constants.mod constants_operator.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod mp2_eri.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod qs_interactions.mod kinds.mod qs_integral_utils.mod kpoint_methods.mod cp_fm_basic_linalg.mod mp2_eri_gpw.mod cp_eri_mme_interface.mod kpoint_coulomb_2c.mod particle_methods.mod cp_gemm_interface.mod cp_fm_diag.mod cp_fm_cholesky.mod libint_2c_3c.mod rpa_communication.mod cp_cfm_basic_linalg.mod qs_tensors.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_integrals.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod pw_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod qs_environment_types.mod basis_set_types.mod qs_tensors_types.mod group_dist_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod mp2_ri_2c.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod mp2_eri.mod cp_para_env.mod message_passing.mod bibliography.mod kinds.mod qs_integral_utils.mod kpoint_methods.mod mp2_eri_gpw.mod cp_eri_mme_interface.mod machine.mod cp_units.mod particle_methods.mod libint_2c_3c.mod util.mod qs_tensors.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_integrals.F mp2_integrals.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:18:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_integrals.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_integrals.mod' due to: mp2_integrals.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_integrals.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod pw_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod task_list_types.mod qs_environment_types.mod basis_set_types.mod qs_tensors_types.mod group_dist_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod mp2_ri_2c.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod mp2_eri.mod cp_para_env.mod message_passing.mod bibliography.mod kinds.mod qs_integral_utils.mod kpoint_methods.mod mp2_eri_gpw.mod cp_eri_mme_interface.mod machine.mod cp_units.mod particle_methods.mod libint_2c_3c.mod util.mod qs_tensors.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rpa_rse.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_rse.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_para_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_utils.mod hfx_energy_potential.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod cp_gemm_interface.mod cp_fm_diag.mod qs_vxc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_rse.F rpa_rse.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:18:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rpa_rse.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rpa_rse.mod' due to: rpa_rse.o /build/cp2k-6PcaEs/cp2k-8.1/src/rpa_rse.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_para_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qs_neighbor_list_types.mod mp2_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_utils.mod hfx_energy_potential.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod cp_fm_basic_linalg.mod cp_gemm_interface.mod cp_fm_diag.mod qs_vxc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2_gpw.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod distribution_2d_types.mod molecule_kind_types.mod qs_mo_types.mod basis_set_types.mod group_dist_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod mp2_types.mod cp_blacs_env.mod input_constants.mod mp2_cphf.mod cp_dbcsr_operations.mod rpa_main.mod base_hooks.mod distribution_methods.mod cp_fm_struct.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod mp2_ri_grad.mod mp2_ri_gpw.mod mp2_gpw_method.mod qs_interactions.mod kinds.mod mp2_integrals.mod qs_neighbor_lists.mod qs_integral_utils.mod libint_wrapper.mod cp_log_handling.mod machine.mod rpa_rse.mod particle_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw.F mp2_gpw.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:18:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2_gpw.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2_gpw.mod' due to: mp2_gpw.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2_gpw.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod cp_para_types.mod kpoint_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod distribution_2d_types.mod molecule_kind_types.mod qs_mo_types.mod basis_set_types.mod group_dist_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod mp2_types.mod cp_blacs_env.mod input_constants.mod mp2_cphf.mod cp_dbcsr_operations.mod rpa_main.mod base_hooks.mod distribution_methods.mod cp_fm_struct.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod mp2_ri_grad.mod mp2_ri_gpw.mod mp2_gpw_method.mod qs_interactions.mod kinds.mod mp2_integrals.mod qs_neighbor_lists.mod qs_integral_utils.mod libint_wrapper.mod cp_log_handling.mod machine.mod rpa_rse.mod particle_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mp2.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod atomic_kind_types.mod mp2_types.mod admm_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod cp_fm_struct.mod hfx_energy_potential.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod mp2_optimize_ri_basis.mod cp_output_handling.mod bibliography.mod kinds.mod physcon.mod kpoint_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod mathconstants.mod cp_files.mod cp_fm_diag.mod cp_fm_cholesky.mod mp2_gpw.mod admm_utils.mod cp_cfm_basic_linalg.mod mp2_direct_method.mod admm_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F mp2.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:18:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mp2.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:1080:45: 1080 | j_batch_start = my_J_occupied_start - 1 | ^ Warning: ‘my_j_occupied_start’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:1017:94: 1017 | my_J_occupied_end = my_J_occupied_start + vector_batch_J_size_group(j_group_counter) - 1 | ^ Warning: ‘j_group_counter’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:950:53: 950 | number_i_subset = number_groups/number_j_subset | ^ Warning: ‘number_j_subset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:1752:65: 1752 | DO n_level_gw = 1, gw_corr_lev_occ + gw_corr_lev_virt | ^ Warning: ‘gw_corr_lev_virt’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:1313:39: 1313 | INTEGER :: dimen, gw_corr_lev_occ, gw_corr_lev_virt, handle, homo, i_img, ikp, irep, ispin, & | ^ Warning: ‘gw_corr_lev_occ’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:1554:36: 1554 | energy%total = energy_total | ^ Warning: ‘energy_total’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:1552:49: 1552 | energy%exc1_aux_fit = energy_exc_aux_fit | ^ Warning: ‘energy_exc_aux_fit’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:1553:40: 1553 | energy%ex = energy_exc1_aux_fit | ^ Warning: ‘energy_exc1_aux_fit’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:1550:34: 1550 | energy%exc1 = energy_exc1 | ^ Warning: ‘energy_exc1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:1549:32: 1549 | energy%exc = energy_exc | ^ Warning: ‘energy_exc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:1574:13: 1574 | IF (charge_constrain_tmp) THEN | ^ Warning: ‘charge_constrain_tmp’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F:772:38: 772 | IF (n_threads == 1 .OR. actual_x_data%memory_parameter%do_disk_storage) do_dynamic_load_balancing = .FALSE. | ^ Warning: ‘n_threads’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mp2.mod' due to: mp2.o /build/cp2k-6PcaEs/cp2k-8.1/src/mp2.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod hfx_types.mod virial_types.mod qs_rho_types.mod cp_para_types.mod kpoint_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod atomic_kind_types.mod mp2_types.mod admm_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod cp_fm_struct.mod hfx_energy_potential.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod mp2_optimize_ri_basis.mod cp_output_handling.mod bibliography.mod kinds.mod physcon.mod kpoint_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod mathconstants.mod cp_files.mod cp_fm_diag.mod cp_fm_cholesky.mod mp2_gpw.mod admm_utils.mod cp_cfm_basic_linalg.mod mp2_direct_method.mod admm_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_epr_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_epr_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod pw_pool_types.mod qs_rho_atom_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod atomic_kind_types.mod base_hooks.mod cp_output_handling.mod kinds.mod cp_log_handling.mod qs_matrix_pools.mod mathconstants.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_epr_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_epr_utils.mod' due to: qs_linres_epr_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_epr_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod pw_pool_types.mod qs_rho_atom_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod atomic_kind_types.mod base_hooks.mod cp_output_handling.mod kinds.mod cp_log_handling.mod qs_matrix_pools.mod mathconstants.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_epr_nablavks.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_epr_nablavks.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_rho0_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_rho_atom_types.mod input_section_types.mod qs_linres_types.mod qs_local_rho_types.mod external_potential_types.mod qs_environment_types.mod particle_list_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod qs_rho_atom_methods.mod base_hooks.mod qs_ks_methods.mod pw_methods.mod qs_grid_atom.mod cp_output_handling.mod kinds.mod qs_harmonics_atom.mod qs_gapw_densities.mod qs_vxc_atom.mod hartree_local_methods.mod cp_log_handling.mod mathconstants.mod pw_poisson_methods.mod cp_realspace_grid_cube.mod util.mod qs_vxc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_epr_nablavks.F qs_linres_epr_nablavks.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_epr_nablavks.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_epr_nablavks.mod' due to: qs_linres_epr_nablavks.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_epr_nablavks.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_rho0_types.mod qs_kind_types.mod cell_types.mod pw_poisson_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod qs_rho_atom_types.mod input_section_types.mod qs_linres_types.mod qs_local_rho_types.mod external_potential_types.mod qs_environment_types.mod particle_list_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod qs_rho_atom_methods.mod base_hooks.mod qs_ks_methods.mod pw_methods.mod qs_grid_atom.mod cp_output_handling.mod kinds.mod qs_harmonics_atom.mod qs_gapw_densities.mod qs_vxc_atom.mod hartree_local_methods.mod cp_log_handling.mod mathconstants.mod pw_poisson_methods.mod cp_realspace_grid_cube.mod util.mod qs_vxc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_polar_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_polar_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_p_env_types.mod cp_para_types.mod cell_types.mod force_env_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod cp_result_types.mod qs_linres_methods.mod cp_result_methods.mod base_hooks.mod cp_fm_struct.mod cp_output_handling.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod mathconstants.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_polar_utils.F qs_linres_polar_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_polar_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_polar_utils.mod' due to: qs_linres_polar_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_polar_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_p_env_types.mod cp_para_types.mod cell_types.mod force_env_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod cp_result_types.mod qs_linres_methods.mod cp_result_methods.mod base_hooks.mod cp_fm_struct.mod cp_output_handling.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod mathconstants.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_issc_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_issc_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_p_env_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_linres_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_elec_field.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod mathlib.mod qs_spin_orbit.mod memory_utilities.mod particle_methods.mod qs_fermi_contact.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_issc_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_issc_utils.mod' due to: qs_linres_issc_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_issc_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_p_env_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_linres_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_elec_field.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod mathlib.mod qs_spin_orbit.mod memory_utilities.mod particle_methods.mod qs_fermi_contact.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_nmr_epr_common_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_nmr_epr_common_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod pw_types.mod pw_grid_types.mod pw_pool_types.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_nmr_epr_common_utils.F qs_linres_nmr_epr_common_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_epr_common_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_nmr_epr_common_utils.mod' due to: qs_linres_nmr_epr_common_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_nmr_epr_common_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod pw_types.mod pw_grid_types.mod pw_pool_types.mod mathconstants.mod kinds.mod base_hooks.mod pw_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_epr_ownutils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_epr_ownutils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_rho_atom_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod realspace_grid_types.mod atomic_kind_types.mod base_hooks.mod qs_core_energies.mod pw_methods.mod qs_linres_op.mod qs_grid_atom.mod message_passing.mod cp_output_handling.mod kinds.mod qs_harmonics_atom.mod cp_log_handling.mod mathlib.mod qs_linres_nmr_epr_common_utils.mod pw_spline_utils.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_epr_ownutils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_epr_ownutils.mod' due to: qs_linres_epr_ownutils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_epr_ownutils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod qs_rho_atom_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod realspace_grid_types.mod atomic_kind_types.mod base_hooks.mod qs_core_energies.mod pw_methods.mod qs_linres_op.mod qs_grid_atom.mod message_passing.mod cp_output_handling.mod kinds.mod qs_harmonics_atom.mod cp_log_handling.mod mathlib.mod qs_linres_nmr_epr_common_utils.mod pw_spline_utils.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_nmr_shift.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_nmr_shift.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod realspace_grid_types.mod atomic_kind_types.mod base_hooks.mod pw_methods.mod qs_linres_op.mod qs_grid_atom.mod message_passing.mod cp_output_handling.mod kinds.mod qs_harmonics_atom.mod cp_log_handling.mod mathlib.mod qs_linres_nmr_epr_common_utils.mod mathconstants.mod pw_spline_utils.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_nmr_shift.F qs_linres_nmr_shift.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_shift.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_nmr_shift.F:267:70: 267 | n_nics, na, natom, natom_local, natom_tot, nkind, nnics_local, nr, nra, nspins, num_pe, & | ^ Warning: ‘nnics_local’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_nmr_shift.mod' due to: qs_linres_nmr_shift.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_nmr_shift.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod realspace_grid_types.mod atomic_kind_types.mod base_hooks.mod pw_methods.mod qs_linres_op.mod qs_grid_atom.mod message_passing.mod cp_output_handling.mod kinds.mod qs_harmonics_atom.mod cp_log_handling.mod mathlib.mod qs_linres_nmr_epr_common_utils.mod mathconstants.mod pw_spline_utils.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_nmr_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_nmr_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod qs_linres_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod cp_parser_types.mod qs_environment_types.mod atomic_kind_types.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod cp_log_handling.mod qs_matrix_pools.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_nmr_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_nmr_utils.mod' due to: qs_linres_nmr_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_nmr_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod qs_linres_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod cp_parser_types.mod qs_environment_types.mod atomic_kind_types.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod cp_log_handling.mod qs_matrix_pools.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_current_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_p_env_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_linres_methods.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod qs_linres_op.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_array_utils.mod kinds.mod qs_loc_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod memory_utilities.mod particle_methods.mod qs_operators_ao.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current_utils.F qs_linres_current_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_current_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current_utils.F:1152:56: 1152 | state_done(idir, istate_next) = .TRUE. | ^ Warning: ‘istate_next’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_current_utils.mod' due to: qs_linres_current_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_current_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_p_env_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod qs_loc_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod realspace_grid_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_linres_methods.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod qs_linres_op.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod cp_output_handling.mod cp_array_utils.mod kinds.mod qs_loc_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod memory_utilities.mod particle_methods.mod qs_operators_ao.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_linres_module.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_module.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_p_env_types.mod qs_rho_types.mod force_env_types.mod cp_control_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod qs_linres_epr_utils.mod qs_linres_methods.mod input_constants.mod qs_linres_epr_nablavks.mod qs_linres_polar_utils.mod qs_linres_issc_utils.mod base_hooks.mod qs_p_env_methods.mod qs_linres_epr_ownutils.mod qs_linres_op.mod qs_rho_methods.mod cp_output_handling.mod bibliography.mod qs_linres_nmr_shift.mod cp_log_handling.mod qs_linres_nmr_utils.mod qs_mo_methods.mod qs_linres_current.mod qs_linres_current_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_module.F qs_linres_module.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_linres_module.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_linres_module.mod' due to: qs_linres_module.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_linres_module.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_p_env_types.mod qs_rho_types.mod force_env_types.mod cp_control_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod qs_mo_types.mod qs_linres_epr_utils.mod qs_linres_methods.mod input_constants.mod qs_linres_epr_nablavks.mod qs_linres_polar_utils.mod qs_linres_issc_utils.mod base_hooks.mod qs_p_env_methods.mod qs_linres_epr_ownutils.mod qs_linres_op.mod qs_rho_methods.mod cp_output_handling.mod bibliography.mod qs_linres_nmr_shift.mod cp_log_handling.mod qs_linres_nmr_utils.mod qs_mo_methods.mod qs_linres_current.mod qs_linres_current_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_stda_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_stda_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod cp_control_types.mod qs_environment_types.mod atomic_kind_types.mod basis_set_types.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_stda_types.F qs_tddfpt2_stda_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_stda_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_stda_types.mod' due to: qs_tddfpt2_stda_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_stda_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod cp_control_types.mod qs_environment_types.mod atomic_kind_types.mod basis_set_types.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_subgroups.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod task_list_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod distribution_2d_types.mod molecule_kind_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod admm_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod distribution_methods.mod cp_fm_struct.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod task_list_methods.mod kinds.mod qs_neighbor_lists.mod pw_env_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:19:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_subgroups.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F:184:71: 184 | TYPE(mgrid_saved_parameters) :: mgrid_saved | ^ Warning: ‘mgrid_saved.relative_cutoff’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F:184:71: Warning: ‘mgrid_saved.progression_factor’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F:491:44: 491 | qs_control%cutoff = mgrid_saved%cutoff | ^ Warning: ‘mgrid_saved.cutoff’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F:184:71: 184 | TYPE(mgrid_saved_parameters) :: mgrid_saved | ^ note: ‘mgrid_saved.cutoff’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F:490:78: 490 | qs_control%skip_load_balance_distributed = mgrid_saved%skip_load_balance | ^ Warning: ‘MEM [(struct mgrid_saved_parameters *)&mgrid_saved + 8B]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F:184:71: 184 | TYPE(mgrid_saved_parameters) :: mgrid_saved | ^ note: ‘MEM [(struct mgrid_saved_parameters *)&mgrid_saved + 8B]’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F:184:71: Warning: ‘MEM [(struct mgrid_saved_parameters *)&mgrid_saved + 4B]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F:184:71: Warning: ‘MEM [(struct mgrid_saved_parameters *)&mgrid_saved]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_subgroups.mod' due to: qs_tddfpt2_subgroups.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_subgroups.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod task_list_types.mod input_section_types.mod distribution_1d_types.mod qs_environment_types.mod distribution_2d_types.mod molecule_kind_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod admm_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod distribution_methods.mod cp_fm_struct.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod task_list_methods.mod kinds.mod qs_neighbor_lists.mod pw_env_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod cp_fm_pool_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_env_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod xc_derivative_set_types.mod ewald_pw_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_neighbor_list_types.mod ewald_environment_types.mod admm_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_methods.mod cp_fm_struct.mod kinds.mod xc_derivatives.mod qs_tddfpt2_subgroups.mod cp_gemm_interface.mod xc.mod cp_fm_vect.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_types.F qs_tddfpt2_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_types.mod' due to: qs_tddfpt2_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod cp_fm_pool_types.mod qs_rho_types.mod pw_types.mod cp_para_types.mod pw_env_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod xc_derivative_set_types.mod ewald_pw_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_neighbor_list_types.mod ewald_environment_types.mod admm_types.mod cp_blacs_env.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_methods.mod cp_fm_struct.mod kinds.mod xc_derivatives.mod qs_tddfpt2_subgroups.mod cp_gemm_interface.mod xc.mod cp_fm_vect.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_properties.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_properties.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod qs_tddfpt2_types.mod cp_cfm_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod molden_utils.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod moments_utils.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod qs_moments.mod cp_fm_basic_linalg.mod string_utilities.mod cp_log_handling.mod qs_collocate_density.mod mathconstants.mod cp_gemm_interface.mod dbcsr_vector.mod cp_fm_diag.mod cp_cfm_basic_linalg.mod cp_realspace_grid_cube.mod util.mod qs_operators_ao.mod kahan_sum.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_properties.F qs_tddfpt2_properties.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_properties.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_properties.F:680:76: 680 | nmo_virt_occ_alpha = INT(nmo_virt(1), int_8)*INT(nmo_occ(1), int_8) | ^ Warning: ‘nmo_virt[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_properties.F:680:76: Warning: ‘nmo_occ[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_properties.F:654:72: 654 | weights_recv | ^ Warning: ‘weights_recv.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_properties.mod' due to: qs_tddfpt2_properties.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_properties.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod pw_env_types.mod pw_poisson_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod particle_list_types.mod qs_tddfpt2_types.mod cp_cfm_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod molden_utils.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod moments_utils.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod qs_moments.mod cp_fm_basic_linalg.mod string_utilities.mod cp_log_handling.mod qs_collocate_density.mod mathconstants.mod cp_gemm_interface.mod dbcsr_vector.mod cp_fm_diag.mod cp_cfm_basic_linalg.mod cp_realspace_grid_cube.mod util.mod qs_operators_ao.mod kahan_sum.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_stda_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_stda_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod cp_fm_types.mod input_section_types.mod ewald_pw_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod qs_tddfpt2_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod ewald_methods_tb.mod cp_fm_basic_linalg.mod cp_log_handling.mod particle_methods.mod qs_tddfpt2_subgroups.mod mathconstants.mod cp_fm_diag.mod iterate_matrix.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_stda_utils.F qs_tddfpt2_stda_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_stda_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_stda_utils.F:183:39: 183 | cstring = "GAMMA EXCHANGE MATRIX" | 1 Warning: CHARACTER expression will be truncated in assignment (20/21) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_stda_utils.F:343:47: 343 | CALL copy_dbcsr_to_fm(sm_s, fm_s_half) | ^ Warning: ‘sm_s’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_stda_utils.mod' due to: qs_tddfpt2_stda_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_stda_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod scf_control_types.mod cp_fm_types.mod input_section_types.mod ewald_pw_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod qs_tddfpt2_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod ewald_methods_tb.mod cp_fm_basic_linalg.mod cp_log_handling.mod particle_methods.mod qs_tddfpt2_subgroups.mod mathconstants.mod cp_fm_diag.mod iterate_matrix.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_restart.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_restart.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_tddfpt2_types.mod input_section_types.mod cp_fm_pool_types.mod cp_para_types.mod cp_fm_types.mod cp_blacs_env.mod message_passing.mod string_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_files.mod cp_fm_basic_linalg.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_restart.F qs_tddfpt2_restart.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_restart.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_restart.mod' due to: qs_tddfpt2_restart.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_restart.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_tddfpt2_types.mod input_section_types.mod cp_fm_pool_types.mod cp_para_types.mod cp_fm_types.mod cp_blacs_env.mod message_passing.mod string_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_files.mod cp_fm_basic_linalg.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_densities.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_densities.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_ks_types.mod pw_types.mod qs_rho_types.mod qs_environment_types.mod cp_fm_types.mod qs_collocate_density.mod qs_tddfpt2_subgroups.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod qs_rho_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_densities.F qs_tddfpt2_densities.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_densities.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_densities.mod' due to: qs_tddfpt2_densities.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_densities.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_ks_types.mod pw_types.mod qs_rho_types.mod qs_environment_types.mod cp_fm_types.mod qs_collocate_density.mod qs_tddfpt2_subgroups.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod qs_rho_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_operators.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_operators.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod pw_poisson_types.mod pw_env_types.mod pw_pool_types.mod cp_fm_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_tddfpt2_types.mod admm_types.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod cp_fm_struct.mod kinds.mod cp_fm_basic_linalg.mod cp_gemm_interface.mod hfx_admm_utils.mod pw_poisson_methods.mod xc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_operators.F qs_tddfpt2_operators.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_operators.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_operators.mod' due to: qs_tddfpt2_operators.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_operators.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod pw_poisson_types.mod pw_env_types.mod pw_pool_types.mod cp_fm_types.mod qs_environment_types.mod xc_rho_set_types.mod qs_tddfpt2_types.mod admm_types.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod cp_fm_struct.mod kinds.mod cp_fm_basic_linalg.mod cp_gemm_interface.mod hfx_admm_utils.mod pw_poisson_methods.mod xc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_fhxc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_fhxc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_control_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod qs_tddfpt2_types.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod qs_rho_methods.mod qs_tddfpt2_operators.mod kinds.mod qs_tddfpt2_stda_utils.mod qs_tddfpt2_subgroups.mod cp_gemm_interface.mod qs_integrate_potential.mod qs_tddfpt2_densities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_fhxc.F qs_tddfpt2_fhxc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_fhxc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_fhxc.mod' due to: qs_tddfpt2_fhxc.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_fhxc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod cp_control_types.mod cp_fm_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod qs_tddfpt2_types.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod qs_rho_methods.mod qs_tddfpt2_operators.mod kinds.mod qs_tddfpt2_stda_utils.mod qs_tddfpt2_subgroups.mod cp_gemm_interface.mod qs_integrate_potential.mod qs_tddfpt2_densities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xc_pot_saop.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/xc_pot_saop.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod virial_types.mod qs_rho_types.mod pw_types.mod xc_derivative_types.mod cp_para_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod qs_rho_atom_types.mod input_section_types.mod xc_derivative_set_types.mod qs_local_rho_types.mod qs_environment_types.mod qs_mo_types.mod xc_rho_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_atom_methods.mod pw_methods.mod xc_xbecke88.mod qs_grid_atom.mod cp_array_utils.mod kinds.mod qs_harmonics_atom.mod qs_gapw_densities.mod qs_vxc_atom.mod xc_derivatives.mod qs_collocate_density.mod mathconstants.mod xc_atom.mod qs_ks_atom.mod xc.mod qs_integrate_potential.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/xc_pot_saop.F xc_pot_saop.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xc_pot_saop.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'xc_pot_saop.mod' due to: xc_pot_saop.o /build/cp2k-6PcaEs/cp2k-8.1/src/xc_pot_saop.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 xc_rho_cflags_types.mod virial_types.mod qs_rho_types.mod pw_types.mod xc_derivative_types.mod cp_para_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod qs_ks_types.mod pw_pool_types.mod cp_fm_types.mod qs_rho_atom_types.mod input_section_types.mod xc_derivative_set_types.mod qs_local_rho_types.mod qs_environment_types.mod qs_mo_types.mod xc_rho_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod qs_oce_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_atom_methods.mod pw_methods.mod xc_xbecke88.mod qs_grid_atom.mod cp_array_utils.mod kinds.mod qs_harmonics_atom.mod qs_gapw_densities.mod qs_vxc_atom.mod xc_derivatives.mod qs_collocate_density.mod mathconstants.mod xc_atom.mod qs_ks_atom.mod xc.mod qs_integrate_potential.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod cell_types.mod cp_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_tddfpt2_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod cp_fm_struct.mod message_passing.mod cp_array_utils.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod xc_pot_saop.mod cp_gemm_interface.mod cp_fm_cholesky.mod util.mod qs_scf_post_gpw.mod xtb_matrices.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_utils.F qs_tddfpt2_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_utils.mod' due to: qs_tddfpt2_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod cell_types.mod cp_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_tddfpt2_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod cp_fm_struct.mod message_passing.mod cp_array_utils.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod xc_pot_saop.mod cp_gemm_interface.mod cp_fm_cholesky.mod util.mod qs_scf_post_gpw.mod xtb_matrices.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_eigensolver.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_eigensolver.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_tddfpt2_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_output_handling.mod qs_tddfpt2_operators.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_tddfpt2_restart.mod machine.mod memory_utilities.mod qs_tddfpt2_subgroups.mod cp_gemm_interface.mod cp_fm_diag.mod qs_tddfpt2_fhxc.mod physcon.mod qs_tddfpt2_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_eigensolver.F qs_tddfpt2_eigensolver.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_eigensolver.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_eigensolver.F:390:25: 390 | IF (do_hfx .AND. .NOT. is_stda) THEN | ^ Warning: ‘is_stda’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_eigensolver.F:321:93: 321 | LOGICAL :: do_admm, is_rks_triplets, is_stda | ^ note: ‘is_stda’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_eigensolver.mod' due to: qs_tddfpt2_eigensolver.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_eigensolver.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_para_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_tddfpt2_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_output_handling.mod qs_tddfpt2_operators.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_tddfpt2_restart.mod machine.mod memory_utilities.mod qs_tddfpt2_subgroups.mod cp_gemm_interface.mod cp_fm_diag.mod qs_tddfpt2_fhxc.mod physcon.mod qs_tddfpt2_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt2_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cell_types.mod cp_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod qs_mo_types.mod qs_tddfpt2_types.mod admm_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_tddfpt2_properties.mod cp_output_handling.mod bibliography.mod kinds.mod qs_tddfpt2_stda_utils.mod string_utilities.mod cp_log_handling.mod qs_tddfpt2_restart.mod machine.mod qs_tddfpt2_subgroups.mod qs_tddfpt2_densities.mod qs_tddfpt2_eigensolver.mod header.mod qs_tddfpt2_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_methods.F qs_tddfpt2_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt2_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_methods.F:262:31: 262 | ALLOCATE (evals(nstates)) | ^ Warning: ‘nstates’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_methods.F:393:13: 393 | IF (do_admm) CALL tddfpt_release_kernel_env(kernel_env%admm_kernel) | ^ Warning: ‘do_admm’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt2_methods.mod' due to: qs_tddfpt2_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt2_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cell_types.mod cp_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod qs_tddfpt2_stda_types.mod qs_environment_types.mod qs_mo_types.mod qs_tddfpt2_types.mod admm_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_tddfpt2_properties.mod cp_output_handling.mod bibliography.mod kinds.mod qs_tddfpt2_stda_utils.mod string_utilities.mod cp_log_handling.mod qs_tddfpt2_restart.mod machine.mod qs_tddfpt2_subgroups.mod qs_tddfpt2_densities.mod qs_tddfpt2_eigensolver.mod header.mod qs_tddfpt2_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_energy_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod kpoint_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atprop_types.mod xas_methods.mod et_coupling_proj.mod base_hooks.mod xas_tdp_methods.mod cp_external_control.mod qs_ks_methods.mod cp_fm_struct.mod et_coupling.mod mp2.mod kinds.mod kpoint_methods.mod qs_linres_module.mod qs_scf.mod qs_tddfpt2_methods.mod cp_control_utils.mod qs_integrate_potential.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_utils.F qs_energy_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:20:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_energy_utils.mod' due to: qs_energy_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_rho_types.mod pw_types.mod kpoint_types.mod pw_env_types.mod cp_control_types.mod scf_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod qs_neighbor_list_types.mod atprop_types.mod xas_methods.mod et_coupling_proj.mod base_hooks.mod xas_tdp_methods.mod cp_external_control.mod qs_ks_methods.mod cp_fm_struct.mod et_coupling.mod mp2.mod kinds.mod kpoint_methods.mod qs_linres_module.mod qs_scf.mod qs_tddfpt2_methods.mod cp_control_utils.mod qs_integrate_potential.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'domain_submatrix_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/domain_submatrix_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod message_passing.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/domain_submatrix_methods.F domain_submatrix_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:21:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' domain_submatrix_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/domain_submatrix_methods.F:771:31: 771 | SUBROUTINE trace_submatrices(A, B, trace) | ^ Warning: ‘trace_submatrices’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'domain_submatrix_methods.mod' due to: domain_submatrix_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/domain_submatrix_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod message_passing.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'almo_scf_lbfgs_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_lbfgs_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_lbfgs_types.F almo_scf_lbfgs_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:21:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_lbfgs_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'almo_scf_lbfgs_types.mod' due to: almo_scf_lbfgs_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_lbfgs_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ct_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ct_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_blacs_env.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ct_types.F ct_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:21:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ct_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ct_types.mod' due to: ct_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/ct_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cp_blacs_env.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'almo_scf_diis_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_diis_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod kinds.mod base_hooks.mod domain_submatrix_methods.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_diis_types.F almo_scf_diis_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:21:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_diis_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_diis_types.F:516:41: 516 | almo_scf_diis_error_overlap = trace | ^ Warning: ‘trace’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_diis_types.F:516:41: Warning: ‘trace’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_diis_types.F:317:75: 317 | diis_env%m_b(idomain)%mdata(in_point + 1, irow + 1) = trace0 | ^ Warning: ‘trace0’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'almo_scf_diis_types.mod' due to: almo_scf_diis_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_diis_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 domain_submatrix_types.mod kinds.mod base_hooks.mod domain_submatrix_methods.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ct_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ct_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 ct_types.mod machine.mod input_constants.mod cp_dbcsr_cholesky.mod cp_dbcsr_diag.mod kinds.mod base_hooks.mod iterate_matrix.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ct_methods.F ct_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:21:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ct_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ct_methods.mod' due to: ct_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/ct_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 ct_types.mod machine.mod input_constants.mod cp_dbcsr_cholesky.mod cp_dbcsr_diag.mod kinds.mod base_hooks.mod iterate_matrix.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'almo_scf_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 almo_scf_types.mod domain_submatrix_types.mod cp_para_types.mod mathlib.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_cholesky.mod util.mod bibliography.mod kinds.mod base_hooks.mod iterate_matrix.mod domain_submatrix_methods.mod fermi_utils.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_methods.F almo_scf_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:21:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_methods.F:3034:33: 3034 | SUBROUTINE pseudo_matrix_power(A, Apow, power, N, range1, range1_thr, shift) | ^ Warning: ‘pseudo_matrix_power’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_methods.F:2953:93: 2953 | IF (PRESENT(bad_modes_projector_down)) temp3(jj, :) = Ainv(:, jj)*0.0_dp | ^ Warning: ‘temp3.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_methods.F:2816:79: 2816 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: temp1, temp2, temp3, temp4 | ^ Warning: ‘temp3.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_methods.F:2957:21: 2957 | ELSE IF (use_thr_only) THEN | ^ Warning: ‘use_thr_only’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_methods.F:2941:16: 2941 | IF (use_ranges_only) THEN | ^ Warning: ‘use_ranges_only’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_methods.F:2928:13: 2928 | IF (use_both) THEN | ^ Warning: ‘use_both’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'almo_scf_methods.mod' due to: almo_scf_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 almo_scf_types.mod domain_submatrix_types.mod cp_para_types.mod mathlib.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_cholesky.mod util.mod bibliography.mod kinds.mod base_hooks.mod iterate_matrix.mod domain_submatrix_methods.mod fermi_utils.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'almo_scf_qs.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_qs.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod molecule_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod qs_scf_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod almo_scf_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod qs_rho_methods.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod cp_log_handling.mod cp_units.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_qs.F almo_scf_qs.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:21:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_qs.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_qs.F:248:47: 248 | ALLOCATE (distr_new_array(nlength)) | ^ Warning: ‘nlength’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_qs.F:1190:22: 1190 | IF (overlap .EQ. 0.0_dp) THEN | ^ Warning: ‘overlap’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_qs.F:1349:120: 1349 | p_new_block(:, :) = 1.0_dp/(1.0_dp + EXP((r1 - r0)/(r0 - distance) + (r1 - r0)/(r1 - distance))) | ^ Warning: ‘distance’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_qs.F:1303:63: 1303 | rcov=contact2_radius) | ^ Warning: ‘contact_atom_2’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_qs.F:1301:63: 1301 | rcov=contact1_radius) | ^ Warning: ‘contact_atom_1’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'almo_scf_qs.mod' due to: almo_scf_qs.o /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_qs.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod molecule_types.mod cell_types.mod cp_control_types.mod qs_ks_types.mod qs_scf_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod almo_scf_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod qs_rho_methods.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod message_passing.mod kinds.mod cp_log_handling.mod cp_units.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'almo_scf_optimizer.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod almo_scf_lbfgs_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod input_section_types.mod ct_types.mod domain_submatrix_types.mod almo_scf_diis_types.mod qs_environment_types.mod qs_energy_types.mod almo_scf_types.mod cp_blacs_env.mod input_constants.mod ct_methods.mod qs_localization_methods.mod base_hooks.mod cp_external_control.mod domain_submatrix_methods.mod cp_dbcsr_cholesky.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod machine.mod almo_scf_methods.mod qs_loc_utils.mod particle_methods.mod cp_files.mod iterate_matrix.mod almo_scf_qs.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F almo_scf_optimizer.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:21:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf_optimizer.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:3218:25: 3218 | SUBROUTINE split_v_blk(almo_scf_env) | ^ Warning: ‘split_v_blk’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:3287:39: 3287 | SUBROUTINE harris_foulkes_correction(almo_scf_env) | ^ Warning: ‘harris_foulkes_correction’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:4922:41: 4922 | SUBROUTINE opt_k_create_preconditioner(prec, vd_prop, f, x, oo_inv_x_tr, s, grad, & | ^ Warning: ‘opt_k_create_preconditioner’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:2039:74: 2039 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: op_sm_set_almo, op_sm_set_qs | ^ Warning: ‘op_sm_set_almo.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:2044:64: 2044 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 | ^ Warning: ‘m_b0.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:2044:64: Warning: ‘m_b0.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:2044:64: Warning: ‘m_b0.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:1207:78: 1207 | DO idim0 = 1, SIZE(op_sm_set_qs, 2) ! this loop is over miller ind | ^ Warning: ‘op_sm_set_qs.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:1207:78: Warning: ‘op_sm_set_qs.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:1208:75: 1208 | DO reim = 1, SIZE(op_sm_set_qs, 1) ! this loop is over Re/Im | ^ Warning: ‘op_sm_set_qs.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:1208:75: Warning: ‘op_sm_set_qs.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:1211:77: 1211 | almo_scf_env%mat_distr_aos, .FALSE.) | ^ Warning: ‘op_sm_set_qs.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:1798:64: 1798 | step_size = next_step_size_guess*1.05_dp | ^ Warning: ‘next_step_size_guess’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:1816:55: 1816 | appr_sec_der = (g1 - g0)/step_size | ^ Warning: ‘g0’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F:1829:76: 1829 | appr_sec_der = 2.0*((e1 - e0)/step_size - g0)/step_size | ^ Warning: ‘e0’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'almo_scf_optimizer.mod' due to: almo_scf_optimizer.o /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf_optimizer.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod almo_scf_lbfgs_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod input_section_types.mod ct_types.mod domain_submatrix_types.mod almo_scf_diis_types.mod qs_environment_types.mod qs_energy_types.mod almo_scf_types.mod cp_blacs_env.mod input_constants.mod ct_methods.mod qs_localization_methods.mod base_hooks.mod cp_external_control.mod domain_submatrix_methods.mod cp_dbcsr_cholesky.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod machine.mod almo_scf_methods.mod qs_loc_utils.mod particle_methods.mod cp_files.mod iterate_matrix.mod almo_scf_qs.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'almo_scf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cp_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod mscfg_types.mod qs_environment_types.mod qs_mo_types.mod almo_scf_types.mod atomic_kind_types.mod qs_scf_post_scf.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod domain_submatrix_methods.mod cp_para_env.mod message_passing.mod bibliography.mod almo_scf_optimizer.mod kinds.mod cp_log_handling.mod mathlib.mod almo_scf_methods.mod cp_dbcsr_diag.mod iterate_matrix.mod almo_scf_qs.mod qs_initial_guess.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf.F almo_scf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' almo_scf.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'almo_scf.mod' due to: almo_scf.o /build/cp2k-6PcaEs/cp2k-8.1/src/almo_scf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qs_rho_types.mod cp_para_types.mod molecule_types.mod qs_kind_types.mod cp_control_types.mod qs_scf_types.mod cp_fm_types.mod input_section_types.mod mscfg_types.mod qs_environment_types.mod qs_mo_types.mod almo_scf_types.mod atomic_kind_types.mod qs_scf_post_scf.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod domain_submatrix_methods.mod cp_para_env.mod message_passing.mod bibliography.mod almo_scf_optimizer.mod kinds.mod cp_log_handling.mod mathlib.mod almo_scf_methods.mod cp_dbcsr_diag.mod iterate_matrix.mod almo_scf_qs.mod qs_initial_guess.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dm_ls_chebyshev.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_chebyshev.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod machine.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod dm_ls_scf_qs.mod arnoldi_api.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_chebyshev.F dm_ls_chebyshev.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_chebyshev.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_chebyshev.F:370:100: 370 | gdensity(igrid, iwindow) = kernel_g(1)*aitchev_T(1, iwindow) + 2.0_dp*dummy2(iwindow) | ^ Warning: ‘aitchev_t.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_chebyshev.F:370:100: Warning: ‘aitchev_t.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_chebyshev.F:355:72: 355 | chev_Es_dos(igrid) = (chev_E(igrid) - interval_b)/interval_a | ^ Warning: ‘interval_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_chebyshev.F:355:72: Warning: ‘interval_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dm_ls_chebyshev.mod' due to: dm_ls_chebyshev.o /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_chebyshev.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod machine.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod dm_ls_scf_qs.mod arnoldi_api.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dm_ls_scf_curvy.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_curvy.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod machine.mod mathlib.mod input_constants.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod iterate_matrix.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf_curvy.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dm_ls_scf_curvy.mod' due to: dm_ls_scf_curvy.o /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf_curvy.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 dm_ls_scf_types.mod machine.mod mathlib.mod input_constants.mod mathconstants.mod bibliography.mod kinds.mod base_hooks.mod iterate_matrix.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dm_ls_scf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod qs_diis_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod transport_env_types.mod input_constants.mod base_hooks.mod cp_external_control.mod dm_ls_scf_qs.mod dm_ls_chebyshev.mod dm_ls_scf_methods.mod pao_main.mod pexsi_methods.mod dm_ls_scf_curvy.mod bibliography.mod kinds.mod qs_diis.mod cp_log_handling.mod machine.mod mathlib.mod qs_scf_post_tb.mod iterate_matrix.mod transport.mod qs_scf_post_gpw.mod arnoldi_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf.F dm_ls_scf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dm_ls_scf.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf.F:631:63: 631 | extra_scf = maxscf_reached .OR. scf_converged | ^ Warning: ‘scf_converged’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf.F:631:63: Warning: ‘maxscf_reached’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dm_ls_scf.mod' due to: dm_ls_scf.o /build/cp2k-6PcaEs/cp2k-8.1/src/dm_ls_scf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 molecule_types.mod qs_diis_types.mod cp_control_types.mod qs_ks_types.mod input_section_types.mod dm_ls_scf_types.mod qs_environment_types.mod transport_env_types.mod input_constants.mod base_hooks.mod cp_external_control.mod dm_ls_scf_qs.mod dm_ls_chebyshev.mod dm_ls_scf_methods.mod pao_main.mod pexsi_methods.mod dm_ls_scf_curvy.mod bibliography.mod kinds.mod qs_diis.mod cp_log_handling.mod machine.mod mathlib.mod qs_scf_post_tb.mod iterate_matrix.mod transport.mod qs_scf_post_gpw.mod arnoldi_api.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_energy.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_environment_types.mod qs_energy_types.mod qs_energy_utils.mod almo_scf.mod qs_ks_methods.mod lri_environment_methods.mod energy_corrections.mod qs_environment_methods.mod qs_energy_init.mod qs_scf.mod base_hooks.mod dm_ls_scf.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy.F qs_energy.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_energy.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_energy.mod' due to: qs_energy.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_energy.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_control_types.mod qs_environment_types.mod qs_energy_types.mod qs_energy_utils.mod almo_scf.mod qs_ks_methods.mod lri_environment_methods.mod energy_corrections.mod qs_environment_methods.mod qs_energy_init.mod qs_scf.mod base_hooks.mod dm_ls_scf.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rt_propagation_forces.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/rt_propagation_forces.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod admm_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod qs_overlap.mod kinds.mod mathconstants.mod cp_gemm_interface.mod cp_fm_vect.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/rt_propagation_forces.F rt_propagation_forces.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation_forces.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rt_propagation_forces.mod' due to: rt_propagation_forces.o /build/cp2k-6PcaEs/cp2k-8.1/src/rt_propagation_forces.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod admm_types.mod cp_dbcsr_operations.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod qs_overlap.mod kinds.mod mathconstants.mod cp_gemm_interface.mod cp_fm_vect.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_force.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_force.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod qs_subsys_types.mod cp_para_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod lri_environment_types.mod atomic_kind_types.mod admm_types.mod qs_scf_post_scf.mod input_constants.mod mulliken.mod cp_dbcsr_operations.mod base_hooks.mod qs_core_energies.mod energy_corrections.mod qs_ks_methods.mod qs_energy.mod qs_rho_methods.mod message_passing.mod qs_core_hamiltonian.mod se_core_core.mod qs_dftb_matrices.mod cp_output_handling.mod qs_environment_methods.mod kinds.mod ri_environment_methods.mod qs_dftb_dispersion.mod cp_log_handling.mod rt_propagation_forces.mod dft_plus_u.mod efield_utils.mod cp_dbcsr_output.mod qs_external_potential.mod se_core_matrix.mod xtb_matrices.mod admm_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_force.F qs_force.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_force.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_force.mod' due to: qs_force.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_force.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod qs_rho_types.mod qs_subsys_types.mod cp_para_types.mod cp_control_types.mod qs_ks_types.mod qs_force_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod lri_environment_types.mod atomic_kind_types.mod admm_types.mod qs_scf_post_scf.mod input_constants.mod mulliken.mod cp_dbcsr_operations.mod base_hooks.mod qs_core_energies.mod energy_corrections.mod qs_ks_methods.mod qs_energy.mod qs_rho_methods.mod message_passing.mod qs_core_hamiltonian.mod se_core_core.mod qs_dftb_matrices.mod cp_output_handling.mod qs_environment_methods.mod kinds.mod ri_environment_methods.mod qs_dftb_dispersion.mod cp_log_handling.mod rt_propagation_forces.mod dft_plus_u.mod efield_utils.mod cp_dbcsr_output.mod qs_external_potential.mod se_core_matrix.mod xtb_matrices.mod admm_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_links_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_links_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types_low.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_links_methods.F qmmm_links_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:51 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_links_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_links_methods.mod' due to: qmmm_links_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_links_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types_low.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_efield_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_efield_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fist_efield_types.mod fist_environment_types.mod input_section_types.mod cell_types.mod particle_types.mod atomic_kind_types.mod cp_result_types.mod moments_utils.mod mathconstants.mod kinds.mod cp_result_methods.mod base_hooks.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_efield_methods.F fist_efield_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_efield_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_efield_methods.mod' due to: fist_efield_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_efield_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fist_efield_types.mod fist_environment_types.mod input_section_types.mod cell_types.mod particle_types.mod atomic_kind_types.mod cp_result_types.mod moments_utils.mod mathconstants.mod kinds.mod cp_result_methods.mod base_hooks.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_pol_scf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_pol_scf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod pw_poisson_types.mod ewald_pw_types.mod fist_energy_types.mod distribution_1d_types.mod multipole_types.mod fist_nonbond_env_types.mod atomic_kind_types.mod ewald_environment_types.mod input_constants.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod ewalds_multipole.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_pol_scf.F fist_pol_scf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_pol_scf.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_pol_scf.mod' due to: fist_pol_scf.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_pol_scf.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod pw_poisson_types.mod ewald_pw_types.mod fist_energy_types.mod distribution_1d_types.mod multipole_types.mod fist_nonbond_env_types.mod atomic_kind_types.mod ewald_environment_types.mod input_constants.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod ewalds_multipole.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ewalds.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod pw_grid_types.mod dg_types.mod cell_types.mod pw_poisson_types.mod pw_pool_types.mod dg_rho0_types.mod ewald_pw_types.mod distribution_1d_types.mod atomic_kind_types.mod structure_factor_types.mod ewald_environment_types.mod base_hooks.mod message_passing.mod bibliography.mod kinds.mod mathlib.mod mathconstants.mod structure_factors.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds.F ewalds.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ewalds.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ewalds.mod' due to: ewalds.o /build/cp2k-6PcaEs/cp2k-8.1/src/ewalds.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod pw_grid_types.mod dg_types.mod cell_types.mod pw_poisson_types.mod pw_pool_types.mod dg_rho0_types.mod ewald_pw_types.mod distribution_1d_types.mod atomic_kind_types.mod structure_factor_types.mod ewald_environment_types.mod base_hooks.mod message_passing.mod bibliography.mod kinds.mod mathlib.mod mathconstants.mod structure_factors.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'manybody_quip.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_quip.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod fist_nonbond_env_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod bibliography.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_quip.F manybody_quip.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:22:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_quip.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'manybody_quip.mod' due to: manybody_quip.o /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_quip.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod fist_nonbond_env_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod bibliography.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'manybody_eam.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_eam.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod cp_para_types.mod pair_potential_types.mod mathlib.mod message_passing.mod bibliography.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_eam.F manybody_eam.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_eam.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'manybody_eam.mod' due to: manybody_eam.o /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_eam.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod cp_para_types.mod pair_potential_types.mod mathlib.mod message_passing.mod bibliography.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'manybody_siepmann.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_siepmann.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod mathlib.mod message_passing.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_siepmann.F manybody_siepmann.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_siepmann.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'manybody_siepmann.mod' due to: manybody_siepmann.o /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_siepmann.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod mathlib.mod message_passing.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'manybody_tersoff.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_tersoff.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod pair_potential_types.mod mathlib.mod util.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_tersoff.F manybody_tersoff.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_tersoff.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'manybody_tersoff.mod' due to: manybody_tersoff.o /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_tersoff.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod pair_potential_types.mod mathlib.mod util.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'manybody_gal.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_gal.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod mathlib.mod message_passing.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_gal.F manybody_gal.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_gal.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_gal.F:171:126: 171 | - gal%bxy*drji2*sinalpha*sinalpha)) | ^ Warning: ‘sinalpha’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_gal.F:171:126: Warning: ‘cosalpha’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_gal.F:172:33: 172 | IF (weight == 0 .AND. index_outfile > 0) WRITE (index_outfile, *) "Fermi 0" | ^ Warning: ‘weight’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'manybody_gal.mod' due to: manybody_gal.o /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_gal.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod cp_para_types.mod pair_potential_types.mod mathlib.mod message_passing.mod cp_output_handling.mod util.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'manybody_potential.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_potential.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod cell_types.mod pair_potential_types.mod input_section_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod manybody_quip.mod base_hooks.mod message_passing.mod kinds.mod manybody_eam.mod manybody_siepmann.mod mathlib.mod manybody_tersoff.mod manybody_gal.mod util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_potential.F manybody_potential.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' manybody_potential.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'manybody_potential.mod' due to: manybody_potential.o /build/cp2k-6PcaEs/cp2k-8.1/src/manybody_potential.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod cell_types.mod pair_potential_types.mod input_section_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod manybody_quip.mod base_hooks.mod message_passing.mod kinds.mod manybody_eam.mod manybody_siepmann.mod mathlib.mod manybody_tersoff.mod manybody_gal.mod util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pme.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pme.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod structure_factor_types.mod shell_potential_types.mod pw_types.mod pw_grid_types.mod dg_types.mod cell_types.mod pw_poisson_types.mod pw_pool_types.mod dg_rho0_types.mod ewald_pw_types.mod realspace_grid_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod dgs.mod base_hooks.mod pme_tools.mod pw_methods.mod bibliography.mod kinds.mod mathconstants.mod structure_factors.mod pw_poisson_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pme.F pme.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pme.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pme.mod' due to: pme.o /build/cp2k-6PcaEs/cp2k-8.1/src/pme.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod structure_factor_types.mod shell_potential_types.mod pw_types.mod pw_grid_types.mod dg_types.mod cell_types.mod pw_poisson_types.mod pw_pool_types.mod dg_rho0_types.mod ewald_pw_types.mod realspace_grid_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod dgs.mod base_hooks.mod pme_tools.mod pw_methods.mod bibliography.mod kinds.mod mathconstants.mod structure_factors.mod pw_poisson_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mol_force.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mol_force.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 force_field_kind_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mol_force.F mol_force.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mol_force.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mol_force.mod' due to: mol_force.o /build/cp2k-6PcaEs/cp2k-8.1/src/mol_force.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 force_field_kind_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_intra_force.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_intra_force.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod molecule_kind_types.mod atprop_types.mod molecule_types.mod mol_force.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_intra_force.F fist_intra_force.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_intra_force.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/fist_intra_force.F:119:64: 119 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: pv_a | ^ Warning: ‘pv_a.dim[2].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_intra_force.F:119:64: Warning: ‘pv_a.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_intra_force.F:414:88: 414 | CALL get_pv_torsion(k1, k3, k4, t12, t32, t43, pv_a(:, :, index_d)) | ^ Warning: ‘pv_a.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_intra_force.F:118:66: 118 | REAL(KIND=dp), DIMENSION(:), POINTER :: ener_a | ^ Warning: ‘ener_a.dim[0].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_intra_force.F:118:66: Warning: ‘ener_a.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_intra_force.F:387:71: 387 | ener_a(index_d) = ener_a(index_d) + energy*0.25_dp | ^ Warning: ‘ener_a.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_intra_force.mod' due to: fist_intra_force.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_intra_force.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cell_types.mod distribution_1d_types.mod molecule_kind_types.mod atprop_types.mod molecule_types.mod mol_force.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_nonbond_force.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod cell_types.mod splines_types.mod pair_potential_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod splines_methods.mod pair_potential_coulomb.mod base_hooks.mod message_passing.mod kinds.mod cp_log_handling.mod machine.mod mathlib.mod mathconstants.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F fist_nonbond_force.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_nonbond_force.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:442:96: 442 | ei_interaction_cutoffs(2, kind_a, kind_b)) | ^ Warning: ‘qcore_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:110:60: 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & | ^ note: ‘qcore_b’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:399:96: 399 | ei_interaction_cutoffs(1, kind_a, kind_b)) | ^ Warning: ‘qcore_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:110:51: 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & | ^ note: ‘qcore_a’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:419:96: 419 | ei_interaction_cutoffs(3, kind_a, kind_b)) | ^ Warning: ‘qshell_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:110:96: 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & | ^ note: ‘qshell_b’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:419:96: 419 | ei_interaction_cutoffs(3, kind_a, kind_b)) | ^ Warning: ‘qshell_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:110:86: 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & | ^ note: ‘qshell_a’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:478:96: 478 | ei_interaction_cutoffs(3, kind_a, kind_b)) | ^ Warning: ‘qeff_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:110:76: 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & | ^ note: ‘qeff_b’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:460:96: 460 | ei_interaction_cutoffs(3, kind_a, kind_b)) | ^ Warning: ‘qeff_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:110:68: 110 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & | ^ note: ‘qeff_a’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:533:31: 533 | !$OMP ATOMIC | ^ Warning: ‘shell_b’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:104:59: 104 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type | ^ note: ‘shell_b’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:525:31: 525 | !$OMP ATOMIC | ^ Warning: ‘shell_a’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F:104:50: 104 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type | ^ note: ‘shell_a’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_nonbond_force.mod' due to: fist_nonbond_force.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_nonbond_force.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod cell_types.mod splines_types.mod pair_potential_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod splines_methods.mod pair_potential_coulomb.mod base_hooks.mod message_passing.mod kinds.mod cp_log_handling.mod machine.mod mathlib.mod mathconstants.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_force.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_force.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod shell_potential_types.mod cp_para_types.mod molecule_types.mod fist_environment_types.mod cell_types.mod pw_poisson_types.mod fist_efield_types.mod input_section_types.mod ewald_pw_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod cp_subsys_types.mod fist_energy_types.mod multipole_types.mod exclusion_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod fist_efield_methods.mod input_constants.mod spme.mod base_hooks.mod ewalds_multipole.mod fist_pol_scf.mod ewalds.mod message_passing.mod cp_output_handling.mod manybody_potential.mod kinds.mod manybody_eam.mod cp_log_handling.mod ewald_pw_methods.mod pme.mod cp_units.mod fist_intra_force.mod fist_nonbond_force.mod fist_neighbor_list_control.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_force.F fist_force.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_force.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_force.mod' due to: fist_force.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_force.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod shell_potential_types.mod cp_para_types.mod molecule_types.mod fist_environment_types.mod cell_types.mod pw_poisson_types.mod fist_efield_types.mod input_section_types.mod ewald_pw_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod cp_subsys_types.mod fist_energy_types.mod multipole_types.mod exclusion_types.mod atomic_kind_types.mod atprop_types.mod ewald_environment_types.mod fist_efield_methods.mod input_constants.mod spme.mod base_hooks.mod ewalds_multipole.mod fist_pol_scf.mod ewalds.mod message_passing.mod cp_output_handling.mod manybody_potential.mod kinds.mod manybody_eam.mod cp_log_handling.mod ewald_pw_methods.mod pme.mod cp_units.mod fist_intra_force.mod fist_nonbond_force.mod fist_neighbor_list_control.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_force.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_force.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types.mod fist_environment_types.mod cell_types.mod qmmm_types_low.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod cp_result_types.mod cp_subsys_types.mod fist_energy_types.mod cp_result_methods.mod base_hooks.mod cp_output_handling.mod qmmm_gpw_forces.mod kinds.mod qs_ks_qmmm_methods.mod cp_log_handling.mod qmmm_gpw_energy.mod qs_force.mod qmmm_links_methods.mod qmmm_util.mod fist_force.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_force.F qmmm_force.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_force.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_force.mod' due to: qmmm_force.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_force.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types.mod fist_environment_types.mod cell_types.mod qmmm_types_low.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod cp_result_types.mod cp_subsys_types.mod fist_energy_types.mod cp_result_methods.mod base_hooks.mod cp_output_handling.mod qmmm_gpw_forces.mod kinds.mod qs_ks_qmmm_methods.mod cp_log_handling.mod qmmm_gpw_energy.mod qs_force.mod qmmm_links_methods.mod qmmm_util.mod fist_force.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'optimize_dmfet_potential.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_dmfet_potential.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod embed_types.mod qs_environment_types.mod cp_para_types.mod qs_mo_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_dmfet_potential.F optimize_dmfet_potential.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_dmfet_potential.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'optimize_dmfet_potential.mod' due to: optimize_dmfet_potential.o /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_dmfet_potential.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_control_types.mod embed_types.mod qs_environment_types.mod cp_para_types.mod qs_mo_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmmx_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod qmmmx_types.mod input_section_types.mod particle_list_types.mod cp_subsys_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod base_hooks.mod kinds.mod cp_log_handling.mod memory_utilities.mod fist_neighbor_lists.mod qmmm_ff_fist.mod qmmm_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_util.F qmmmx_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmmx_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmmx_util.mod' due to: qmmmx_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod qmmmx_types.mod input_section_types.mod particle_list_types.mod cp_subsys_types.mod fist_neighbor_list_types.mod atomic_kind_types.mod base_hooks.mod kinds.mod cp_log_handling.mod memory_utilities.mod fist_neighbor_lists.mod qmmm_ff_fist.mod qmmm_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmmx_force.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_force.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fist_environment_types.mod input_section_types.mod cell_types.mod particle_types.mod qmmm_types.mod qmmm_types_low.mod qmmmx_types.mod qs_environment_types.mod cp_subsys_types.mod input_constants.mod qmmm_util.mod kinds.mod base_hooks.mod qmmmx_util.mod qmmm_force.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_force.F qmmmx_force.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmmx_force.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_force.F:134:70: 134 | mom_conserv_n = COUNT(cur_labels >= mom_conserv_min_label) | ^ Warning: ‘mom_conserv_min_label’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmmx_force.mod' due to: qmmmx_force.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_force.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fist_environment_types.mod input_section_types.mod cell_types.mod particle_types.mod qmmm_types.mod qmmm_types_low.mod qmmmx_types.mod qs_environment_types.mod cp_subsys_types.mod input_constants.mod qmmm_util.mod kinds.mod base_hooks.mod qmmmx_util.mod qmmm_force.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'force_env_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qmmm_types.mod virial_types.mod qs_rho_types.mod mixed_energy_types.mod pw_types.mod cp_para_types.mod fist_environment_types.mod cell_types.mod pw_env_types.mod qmmmx_types.mod force_env_types.mod cp_control_types.mod embed_types.mod cp_iter_types.mod global_types.mod cp_fm_types.mod mixed_environment_types.mod pw_pool_types.mod eip_environment_types.mod input_section_types.mod molecule_kind_list_types.mod nnp_environment_types.mod pwdft_environment_types.mod metadynamics_types.mod qs_environment_types.mod molecule_kind_types.mod qs_energy_types.mod cp_result_types.mod cp_subsys_types.mod particle_list_types.mod atprop_types.mod restraint.mod input_constants.mod cp_result_methods.mod external_potential_methods.mod base_hooks.mod constraint_fxd.mod force_env_utils.mod mixed_cdft_methods.mod pw_methods.mod grrm_utils.mod cp_para_env.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod nnp_force.mod pwdft_environment.mod fp_methods.mod optimize_embedding_potential.mod cp_fm_basic_linalg.mod constraint_vsite.mod scine_utils.mod cp_log_handling.mod eip_silicon.mod machine.mod mathlib.mod virial_methods.mod qmmm_force.mod mixed_environment_utils.mod fparser.mod qs_force.mod string_utilities.mod qmmm_util.mod kahan_sum.mod force_fields_util.mod optimize_dmfet_potential.mod qmmmx_force.mod fist_force.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F force_env_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:23:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_env_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F:568:101: 568 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: ref_pos_atom, ref_pos_core, ref_pos_shell | ^ Warning: ‘ref_pos_shell.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F:568:101: Warning: ‘ref_pos_shell.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F:2145:10: 2145 | IF (force_env%sub_force_env(cluster_subsys_num)%force_env%para_env%ionode) THEN | ^ Warning: ‘cluster_subsys_num’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F:2146:54: 2146 | energies(cluster_subsys_num) = cluster_energy | ^ Warning: ‘cluster_energy’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F:1936:94: 1936 | force_env%sub_force_env(cluster_subsys_num)%force_env%qs_env) | ^ Warning: ‘cluster_subsys_num’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F:1616:78: 1616 | INTEGER :: cluster_subsys_num, handle, & | ^ note: ‘cluster_subsys_num’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F:1979:57: 1979 | energies(cluster_subsys_num) = cluster_energy | ^ Warning: ‘cluster_energy’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F:1620:74: 1620 | REAL(KIND=dp) :: cluster_energy | ^ note: ‘cluster_energy’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'force_env_methods.mod' due to: force_env_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/force_env_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qmmm_types.mod virial_types.mod qs_rho_types.mod mixed_energy_types.mod pw_types.mod cp_para_types.mod fist_environment_types.mod cell_types.mod pw_env_types.mod qmmmx_types.mod force_env_types.mod cp_control_types.mod embed_types.mod cp_iter_types.mod global_types.mod cp_fm_types.mod mixed_environment_types.mod pw_pool_types.mod eip_environment_types.mod input_section_types.mod molecule_kind_list_types.mod nnp_environment_types.mod pwdft_environment_types.mod metadynamics_types.mod qs_environment_types.mod molecule_kind_types.mod qs_energy_types.mod cp_result_types.mod cp_subsys_types.mod particle_list_types.mod atprop_types.mod restraint.mod input_constants.mod cp_result_methods.mod external_potential_methods.mod base_hooks.mod constraint_fxd.mod force_env_utils.mod mixed_cdft_methods.mod pw_methods.mod grrm_utils.mod cp_para_env.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod nnp_force.mod pwdft_environment.mod fp_methods.mod optimize_embedding_potential.mod cp_fm_basic_linalg.mod constraint_vsite.mod scine_utils.mod cp_log_handling.mod eip_silicon.mod machine.mod mathlib.mod virial_methods.mod qmmm_force.mod mixed_environment_utils.mod fparser.mod qs_force.mod string_utilities.mod qmmm_util.mod kahan_sum.mod force_fields_util.mod optimize_dmfet_potential.mod qmmmx_force.mod fist_force.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'embed_environment.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/embed_environment.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod distribution_1d_types.mod embed_types.mod atomic_kind_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod cp_subsys_types.mod cell_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod distribution_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/embed_environment.F embed_environment.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' embed_environment.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'embed_environment.mod' due to: embed_environment.o /build/cp2k-6PcaEs/cp2k-8.1/src/embed_environment.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod distribution_1d_types.mod embed_types.mod atomic_kind_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod cp_subsys_types.mod cell_methods.mod cp_subsys_methods.mod kinds.mod base_hooks.mod distribution_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'embed_main.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/embed_main.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod embed_types.mod cp_para_types.mod cp_para_env.mod message_passing.mod cp_output_handling.mod embed_environment.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/embed_main.F embed_main.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' embed_main.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/embed_main.F:168:68: 168 | embed_env%sub_logger(i)%p%iter_info%project_name = c_val | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'embed_main.mod' due to: embed_main.o /build/cp2k-6PcaEs/cp2k-8.1/src/embed_main.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod embed_types.mod cp_para_types.mod cp_para_env.mod message_passing.mod cp_output_handling.mod embed_environment.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_data.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_data.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_data.F qmmm_gaussian_data.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_data.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_data.mod' due to: qmmm_gaussian_data.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_data.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod qmmm_gaussian_types.mod cp_para_types.mod string_utilities.mod cp_parser_methods.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod qmmm_gaussian_data.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_input.F:1079:101: 1079 | qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:)*rc | ^ Warning: ‘rc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_input.F:654:101: 654 | qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart + 1:)*rc | ^ Warning: ‘rc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_input.mod' due to: qmmm_gaussian_input.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_input.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod qmmm_gaussian_types.mod cp_para_types.mod string_utilities.mod cp_parser_methods.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod qmmm_gaussian_data.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_gaussian_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_init.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_env_types.mod qmmm_gaussian_types.mod cp_para_types.mod pw_pool_types.mod input_constants.mod memory_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod ao_util.mod qmmm_gaussian_data.mod gaussian_gridlevels.mod qmmm_gaussian_input.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_init.F qmmm_gaussian_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_gaussian_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_gaussian_init.mod' due to: qmmm_gaussian_init.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_gaussian_init.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pw_env_types.mod qmmm_gaussian_types.mod cp_para_types.mod pw_pool_types.mod input_constants.mod memory_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod ao_util.mod qmmm_gaussian_data.mod gaussian_gridlevels.mod qmmm_gaussian_input.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_elpot.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_elpot.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod qmmm_types_low.mod qmmm_gaussian_types.mod input_constants.mod memory_utilities.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_elpot.F qmmm_elpot.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_elpot.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_elpot.mod' due to: qmmm_elpot.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_elpot.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod qmmm_types_low.mod qmmm_gaussian_types.mod input_constants.mod memory_utilities.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_per_elpot.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_per_elpot.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod pw_poisson_types.mod ewald_pw_types.mod qmmm_types_low.mod qmmm_gaussian_types.mod cp_para_types.mod ewald_environment_types.mod input_constants.mod cp_output_handling.mod ewald_spline_util.mod mathconstants.mod kinds.mod base_hooks.mod ao_util.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_per_elpot.F qmmm_per_elpot.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_per_elpot.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_per_elpot.F:187:54: 187 | LG(idim) = fs*LG(idim)*1.0_dp/Vol | ^ Warning: ‘fs’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_per_elpot.mod' due to: qmmm_per_elpot.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_per_elpot.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod pw_poisson_types.mod ewald_pw_types.mod qmmm_types_low.mod qmmm_gaussian_types.mod cp_para_types.mod ewald_environment_types.mod input_constants.mod cp_output_handling.mod ewald_spline_util.mod mathconstants.mod kinds.mod base_hooks.mod ao_util.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_init.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod cp_para_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qmmm_types_low.mod pair_potential_types.mod input_section_types.mod external_potential_types.mod qs_environment_types.mod molecule_kind_types.mod force_field_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod cell_methods.mod cp_output_handling.mod kinds.mod force_fields_input.mod cp_eri_mme_interface.mod cp_log_handling.mod cp_units.mod qmmm_ff_fist.mod qmmm_gaussian_init.mod qmmm_elpot.mod qmmm_per_elpot.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_init.F qmmm_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_init.mod' due to: qmmm_init.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_init.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod cp_para_types.mod cell_types.mod pw_env_types.mod cp_control_types.mod qmmm_types_low.mod pair_potential_types.mod input_section_types.mod external_potential_types.mod qs_environment_types.mod molecule_kind_types.mod force_field_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod cell_methods.mod cp_output_handling.mod kinds.mod force_fields_input.mod cp_eri_mme_interface.mod cp_log_handling.mod cp_units.mod qmmm_ff_fist.mod qmmm_gaussian_init.mod qmmm_elpot.mod qmmm_per_elpot.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_pw_grid.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_pw_grid.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod qmmm_types_low.mod pw_grid_types.mod pw_pool_types.mod message_passing.mod input_constants.mod kinds.mod base_hooks.mod pw_grids.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_pw_grid.F qmmm_pw_grid.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_pw_grid.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_pw_grid.mod' due to: qmmm_pw_grid.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_pw_grid.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pw_env_types.mod qmmm_types_low.mod pw_grid_types.mod pw_pool_types.mod message_passing.mod input_constants.mod kinds.mod base_hooks.mod pw_grids.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'force_fields_ext.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_ext.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod force_field_kind_types.mod cp_parser_types.mod cp_para_types.mod force_field_types.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod topology_amber.mod string_utilities.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_ext.F force_fields_ext.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_fields_ext.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'force_fields_ext.mod' due to: force_fields_ext.o /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields_ext.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod force_field_kind_types.mod cp_parser_types.mod cp_para_types.mod force_field_types.mod cp_parser_methods.mod cp_units.mod cp_output_handling.mod memory_utilities.mod kinds.mod base_hooks.mod topology_amber.mod string_utilities.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'force_fields.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod input_section_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod force_field_types.mod force_field_kind_types.mod atomic_kind_types.mod ewald_environment_types.mod input_constants.mod base_hooks.mod cp_output_handling.mod kinds.mod force_fields_input.mod cp_log_handling.mod cp_units.mod force_fields_ext.mod force_fields_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields.F force_fields.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' force_fields.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'force_fields.mod' due to: force_fields.o /build/cp2k-6PcaEs/cp2k-8.1/src/force_fields.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_types.mod cell_types.mod qmmm_types_low.mod input_section_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod force_field_types.mod force_field_kind_types.mod atomic_kind_types.mod ewald_environment_types.mod input_constants.mod base_hooks.mod cp_output_handling.mod kinds.mod force_fields_input.mod cp_log_handling.mod cp_units.mod force_fields_ext.mod force_fields_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_environment.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_environment.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_types.mod fist_environment_types.mod cell_types.mod qmmm_types_low.mod fist_efield_types.mod input_section_types.mod ewald_pw_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod fist_energy_types.mod multipole_types.mod exclusion_types.mod atomic_kind_types.mod ewald_environment_types.mod base_hooks.mod distribution_methods.mod cell_methods.mod cp_output_handling.mod cp_symmetry.mod bibliography.mod kinds.mod cp_log_handling.mod ewald_pw_methods.mod force_fields.mod particle_methods.mod cp_subsys_methods.mod header.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_environment.F fist_environment.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_environment.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_environment.mod' due to: fist_environment.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_environment.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod molecule_types.mod fist_environment_types.mod cell_types.mod qmmm_types_low.mod fist_efield_types.mod input_section_types.mod ewald_pw_types.mod distribution_1d_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod fist_energy_types.mod multipole_types.mod exclusion_types.mod atomic_kind_types.mod ewald_environment_types.mod base_hooks.mod distribution_methods.mod cell_methods.mod cp_output_handling.mod cp_symmetry.mod bibliography.mod kinds.mod cp_log_handling.mod ewald_pw_methods.mod force_fields.mod particle_methods.mod cp_subsys_methods.mod header.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmm_create.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_create.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qmmm_types.mod cp_para_types.mod fist_environment_types.mod cell_types.mod pw_env_types.mod qmmm_types_low.mod global_types.mod input_section_types.mod fist_nonbond_env_types.mod qs_environment_types.mod cp_subsys_types.mod input_constants.mod base_hooks.mod cell_methods.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod qmmm_init.mod qs_environment.mod qmmm_links_methods.mod cp_subsys_methods.mod qmmm_pw_grid.mod fist_environment.mod header.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_create.F qmmm_create.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmm_create.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmm_create.mod' due to: qmmm_create.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmm_create.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qmmm_types.mod cp_para_types.mod fist_environment_types.mod cell_types.mod pw_env_types.mod qmmm_types_low.mod global_types.mod input_section_types.mod fist_nonbond_env_types.mod qs_environment_types.mod cp_subsys_types.mod input_constants.mod base_hooks.mod cell_methods.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod qmmm_init.mod qs_environment.mod qmmm_links_methods.mod cp_subsys_methods.mod qmmm_pw_grid.mod fist_environment.mod header.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'timings_report.mod' due to: timings_report.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_global.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_global.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod machine.mod cp_blacs_env.mod cp_dbcsr_cp2k_link.mod input_constants.mod cp_output_handling.mod grid_api.mod bibliography.mod kinds.mod base_hooks.mod timings.mod cp_fm_elpa.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_global.F input_cp2k_global.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_global.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_global.mod' due to: input_cp2k_global.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_global.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod machine.mod cp_blacs_env.mod cp_dbcsr_cp2k_link.mod input_constants.mod cp_output_handling.mod grid_api.mod bibliography.mod kinds.mod base_hooks.mod timings.mod cp_fm_elpa.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_error_handling.mod' due to: cp_error_handling.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'environment.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/environment.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_keyword_types.mod cp_para_types.mod force_env_types.mod global_types.mod cp_fm_types.mod input_section_types.mod input_enumeration_types.mod cp2k_info.mod input_constants.mod orbital_pointers.mod orbital_transformation_matrices.mod voronoi_interface.mod base_hooks.mod timings.mod cp_fm_struct.mod reference_manager.mod fft_tools.mod message_passing.mod timings_report.mod cp_output_handling.mod bibliography.mod kinds.mod string_utilities.mod cp_log_handling.mod machine.mod input_cp2k_global.mod cp_fm_diag.mod cp_files.mod gamma.mod cp_fm_diag_utils.mod cp_error_handling.mod header.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/environment.F environment.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' environment.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'environment.mod' due to: environment.o /build/cp2k-6PcaEs/cp2k-8.1/src/environment.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_keyword_types.mod cp_para_types.mod force_env_types.mod global_types.mod cp_fm_types.mod input_section_types.mod input_enumeration_types.mod cp2k_info.mod input_constants.mod orbital_pointers.mod orbital_transformation_matrices.mod voronoi_interface.mod base_hooks.mod timings.mod cp_fm_struct.mod reference_manager.mod fft_tools.mod message_passing.mod timings_report.mod cp_output_handling.mod bibliography.mod kinds.mod string_utilities.mod cp_log_handling.mod machine.mod input_cp2k_global.mod cp_fm_diag.mod cp_files.mod gamma.mod cp_fm_diag_utils.mod cp_error_handling.mod header.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'eip_environment.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/eip_environment.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod distribution_1d_types.mod atomic_kind_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod cp_subsys_types.mod eip_environment_types.mod cell_methods.mod cp_subsys_methods.mod particle_methods.mod kinds.mod base_hooks.mod distribution_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/eip_environment.F eip_environment.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' eip_environment.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'eip_environment.mod' due to: eip_environment.o /build/cp2k-6PcaEs/cp2k-8.1/src/eip_environment.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod cell_types.mod distribution_1d_types.mod atomic_kind_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod cp_subsys_types.mod eip_environment_types.mod cell_methods.mod cp_subsys_methods.mod particle_methods.mod kinds.mod base_hooks.mod distribution_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'fist_main.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/fist_main.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fist_environment_types.mod input_section_types.mod force_env_types.mod qmmm_types_low.mod global_types.mod cp_para_types.mod cp_subsys_types.mod base_hooks.mod fist_environment.mod force_env_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/fist_main.F fist_main.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' fist_main.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'fist_main.mod' due to: fist_main.o /build/cp2k-6PcaEs/cp2k-8.1/src/fist_main.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 fist_environment_types.mod input_section_types.mod force_env_types.mod qmmm_types_low.mod global_types.mod cp_para_types.mod cp_subsys_types.mod base_hooks.mod fist_environment.mod force_env_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmmx_create.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_create.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types.mod cp_subsys_types.mod global_types.mod qmmmx_types.mod cp_para_types.mod base_hooks.mod qmmmx_util.mod qmmm_create.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_create.F qmmmx_create.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmmx_create.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmmx_create.mod' due to: qmmmx_create.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_create.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod qmmm_types.mod cp_subsys_types.mod global_types.mod qmmmx_types.mod cp_para_types.mod base_hooks.mod qmmmx_util.mod qmmm_create.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'f77_interface.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/f77_interface.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod qmmm_types.mod virial_types.mod cp_para_types.mod cell_types.mod timings_types.mod force_env_types.mod embed_types.mod qmmmx_types.mod global_types.mod mixed_environment_types.mod eip_environment_types.mod pwdft_environment_types.mod input_section_types.mod nnp_environment_types.mod metadynamics_types.mod qs_environment_types.mod cp_result_types.mod cp_subsys_types.mod fp_types.mod input_enumeration_types.mod cp2k_info.mod input_constants.mod cp_result_methods.mod base_hooks.mod timings.mod metadynamics_utils.mod reference_manager.mod input_cp2k_read.mod cp_para_env.mod pw_cuda.mod message_passing.mod mixed_main.mod nnp_environment.mod cp_output_handling.mod grid_api.mod bibliography.mod input_cp2k_force_eval.mod kinds.mod pwdft_environment.mod force_env_methods.mod embed_main.mod qmmm_create.mod cp_log_handling.mod machine.mod environment.mod qs_environment.mod input_cp2k_check.mod eip_environment.mod cp_files.mod string_table.mod fist_main.mod qmmmx_create.mod cp_error_handling.mod periodic_table.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/f77_interface.F f77_interface.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' f77_interface.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/f77_interface.F:1170:21: 1170 | SUBROUTINE get_vel(env_id, vel, n_el, ierr) | ^ Warning: ‘get_vel’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'f77_interface.mod' due to: f77_interface.o /build/cp2k-6PcaEs/cp2k-8.1/src/f77_interface.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod qmmm_types.mod virial_types.mod cp_para_types.mod cell_types.mod timings_types.mod force_env_types.mod embed_types.mod qmmmx_types.mod global_types.mod mixed_environment_types.mod eip_environment_types.mod pwdft_environment_types.mod input_section_types.mod nnp_environment_types.mod metadynamics_types.mod qs_environment_types.mod cp_result_types.mod cp_subsys_types.mod fp_types.mod input_enumeration_types.mod cp2k_info.mod input_constants.mod cp_result_methods.mod base_hooks.mod timings.mod metadynamics_utils.mod reference_manager.mod input_cp2k_read.mod cp_para_env.mod pw_cuda.mod message_passing.mod mixed_main.mod nnp_environment.mod cp_output_handling.mod grid_api.mod bibliography.mod input_cp2k_force_eval.mod kinds.mod pwdft_environment.mod force_env_methods.mod embed_main.mod qmmm_create.mod cp_log_handling.mod machine.mod environment.mod qs_environment.mod input_cp2k_check.mod eip_environment.mod cp_files.mod string_table.mod fist_main.mod qmmmx_create.mod cp_error_handling.mod periodic_table.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'replica_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/replica_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_wf_history_types.mod cp_para_types.mod cp_result_types.mod cp_para_env.mod f77_interface.mod message_passing.mod cp_output_handling.mod kinds.mod cp_result_methods.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/replica_types.F replica_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' replica_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'replica_types.mod' due to: replica_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/replica_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_wf_history_types.mod cp_para_types.mod cp_result_types.mod cp_para_env.mod f77_interface.mod message_passing.mod cp_output_handling.mod kinds.mod cp_result_methods.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod gle_system_types.mod replica_types.mod simpar_types.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_types.F pint_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_types.mod' due to: pint_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod gle_system_types.mod replica_types.mod simpar_types.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'neb_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_types.F neb_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'neb_types.mod' due to: neb_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_restart_rng.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_restart_rng.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod input_val_types.mod cp_linked_list_input.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_restart_rng.F input_restart_rng.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_restart_rng.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_restart_rng.mod' due to: input_restart_rng.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_restart_rng.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod input_val_types.mod cp_linked_list_input.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_restart_force_eval.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_restart_force_eval.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod virial_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod force_env_types.mod cp_control_types.mod input_val_types.mod eip_environment_types.mod input_section_types.mod nnp_environment_types.mod distribution_1d_types.mod qs_environment_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod multipole_types.mod atomic_kind_list_types.mod atomic_kind_types.mod input_constants.mod cp_linked_list_input.mod base_hooks.mod message_passing.mod kinds.mod string_utilities.mod input_cp2k_restarts_util.mod cp_units.mod cp_files.mod qmmm_ff_fist.mod input_restart_rng.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_restart_force_eval.F input_restart_force_eval.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_restart_force_eval.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_restart_force_eval.mod' due to: input_restart_force_eval.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_restart_force_eval.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod virial_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod force_env_types.mod cp_control_types.mod input_val_types.mod eip_environment_types.mod input_section_types.mod nnp_environment_types.mod distribution_1d_types.mod qs_environment_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod multipole_types.mod atomic_kind_list_types.mod atomic_kind_types.mod input_constants.mod cp_linked_list_input.mod base_hooks.mod message_passing.mod kinds.mod string_utilities.mod input_cp2k_restarts_util.mod cp_units.mod cp_files.mod qmmm_ff_fist.mod input_restart_rng.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_staging.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_staging.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_staging.F pint_staging.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_staging.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_staging.F:96:28: 96 | SUBROUTINE staging_retain(staging_env) | ^ Warning: ‘staging_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_staging.mod' due to: pint_staging.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_staging.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pint_types.mod input_section_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_normalmode.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_normalmode.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod input_constants.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_normalmode.F pint_normalmode.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_normalmode.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_normalmode.F:189:31: 189 | SUBROUTINE normalmode_retain(normalmode_env) | ^ Warning: ‘normalmode_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_normalmode.mod' due to: pint_normalmode.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_normalmode.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod pint_types.mod input_constants.mod mathconstants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_transformations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_transformations.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pint_types.mod pint_staging.mod input_constants.mod pint_normalmode.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_transformations.F pint_transformations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:24:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_transformations.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_transformations.mod' due to: pint_transformations.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_transformations.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pint_types.mod pint_staging.mod input_constants.mod pint_normalmode.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_restarts.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/input_cp2k_restarts.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod cp_para_types.mod molecule_list_types.mod simpar_types.mod al_system_types.mod force_env_types.mod averages_types.mod input_val_types.mod helium_types.mod molecule_kind_list_types.mod pint_types.mod input_section_types.mod metadynamics_types.mod thermostat_types.mod particle_list_types.mod cp_subsys_types.mod gle_system_types.mod neb_types.mod atomic_kind_list_types.mod extended_system_types.mod md_environment_types.mod csvr_system_types.mod cp2k_info.mod input_constants.mod cp_linked_list_input.mod base_hooks.mod message_passing.mod cp_output_handling.mod kinds.mod string_utilities.mod thermostat_utils.mod cp_log_handling.mod memory_utilities.mod input_restart_force_eval.mod input_restart_rng.mod pint_transformations.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_restarts.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_restarts.mod' due to: input_cp2k_restarts.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/input_cp2k_restarts.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod cp_para_types.mod molecule_list_types.mod simpar_types.mod al_system_types.mod force_env_types.mod averages_types.mod input_val_types.mod helium_types.mod molecule_kind_list_types.mod pint_types.mod input_section_types.mod metadynamics_types.mod thermostat_types.mod particle_list_types.mod cp_subsys_types.mod gle_system_types.mod neb_types.mod atomic_kind_list_types.mod extended_system_types.mod md_environment_types.mod csvr_system_types.mod cp2k_info.mod input_constants.mod cp_linked_list_input.mod base_hooks.mod message_passing.mod cp_output_handling.mod kinds.mod string_utilities.mod thermostat_utils.mod cp_log_handling.mod memory_utilities.mod input_restart_force_eval.mod input_restart_rng.mod pint_transformations.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'thermal_region_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermal_region_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod thermal_region_types.mod force_env_types.mod particle_list_types.mod cp_subsys_types.mod input_constants.mod memory_utilities.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod physcon.mod string_utilities.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermal_region_utils.F thermal_region_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermal_region_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'thermal_region_utils.mod' due to: thermal_region_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermal_region_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod thermal_region_types.mod force_env_types.mod particle_list_types.mod cp_subsys_types.mod input_constants.mod memory_utilities.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod physcon.mod string_utilities.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_thermostats.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_thermostats.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod input_cp2k_subsys.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_thermostats.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_thermostats.mod' due to: input_cp2k_thermostats.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_thermostats.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod input_cp2k_subsys.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_barostats.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod barostat_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod cp_output_handling.mod input_cp2k_thermostats.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_barostats.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_barostats.mod' due to: input_cp2k_barostats.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/input_cp2k_barostats.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod barostat_types.mod input_keyword_types.mod input_val_types.mod cp_units.mod cp_output_handling.mod input_cp2k_thermostats.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_md.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/input_cp2k_md.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod input_cp2k_thermostats.mod kinds.mod base_hooks.mod input_cp2k_barostats.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/input_cp2k_md.F input_cp2k_md.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_md.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_md.mod' due to: input_cp2k_md.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/input_cp2k_md.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod bibliography.mod input_cp2k_thermostats.mod kinds.mod base_hooks.mod input_cp2k_barostats.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'barostat_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/barostat_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod barostat_types.mod simpar_types.mod extended_system_types.mod machine.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' barostat_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'barostat_utils.mod' due to: barostat_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/barostat_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod barostat_types.mod simpar_types.mod extended_system_types.mod machine.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'md_conserved_quantities.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_conserved_quantities.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types.mod shell_potential_types.mod cp_para_types.mod cell_types.mod simpar_types.mod force_env_types.mod qmmm_types_low.mod qmmmx_types.mod input_section_types.mod md_ener_types.mod thermostat_types.mod distribution_1d_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod extended_system_types.mod md_environment_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod message_passing.mod kinds.mod thermostat_utils.mod mathconstants.mod barostat_utils.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_conserved_quantities.F md_conserved_quantities.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_conserved_quantities.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'md_conserved_quantities.mod' due to: md_conserved_quantities.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_conserved_quantities.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types.mod shell_potential_types.mod cp_para_types.mod cell_types.mod simpar_types.mod force_env_types.mod qmmm_types_low.mod qmmmx_types.mod input_section_types.mod md_ener_types.mod thermostat_types.mod distribution_1d_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod extended_system_types.mod md_environment_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod message_passing.mod kinds.mod thermostat_utils.mod mathconstants.mod barostat_utils.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'md_energies.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_energies.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod input_keyword_types.mod qmmm_types.mod virial_types.mod cp_para_types.mod cell_types.mod simpar_types.mod force_env_types.mod averages_types.mod input_section_types.mod md_ener_types.mod thermostat_types.mod thermal_region_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod md_environment_types.mod atomic_kind_types.mod input_enumeration_types.mod reftraj_types.mod input_constants.mod qs_linres_polar_utils.mod base_hooks.mod thermal_region_utils.mod input_cp2k_md.mod cp_output_handling.mod kinds.mod motion_utils.mod thermostat_utils.mod cp_log_handling.mod machine.mod cp_units.mod particle_methods.mod barostat_utils.mod md_conserved_quantities.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_energies.F md_energies.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_energies.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_energies.F:362:46: 362 | (simpar%v0 - cell%deth) | ^ Warning: ‘pv_xx_nc’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'md_energies.mod' due to: md_energies.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_energies.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod input_keyword_types.mod qmmm_types.mod virial_types.mod cp_para_types.mod cell_types.mod simpar_types.mod force_env_types.mod averages_types.mod input_section_types.mod md_ener_types.mod thermostat_types.mod thermal_region_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod md_environment_types.mod atomic_kind_types.mod input_enumeration_types.mod reftraj_types.mod input_constants.mod qs_linres_polar_utils.mod base_hooks.mod thermal_region_utils.mod input_cp2k_md.mod cp_output_handling.mod kinds.mod motion_utils.mod thermostat_utils.mod cp_log_handling.mod machine.mod cp_units.mod particle_methods.mod barostat_utils.mod md_conserved_quantities.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'md_util.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_util.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod md_environment_types.mod cp_para_types.mod message_passing.mod cp_output_handling.mod input_cp2k_restarts.mod kinds.mod base_hooks.mod cp_files.mod md_energies.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_util.F md_util.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_util.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'md_util.mod' due to: md_util.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_util.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod md_environment_types.mod cp_para_types.mod message_passing.mod cp_output_handling.mod input_cp2k_restarts.mod kinds.mod base_hooks.mod cp_files.mod md_energies.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'gopt_param_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_param_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod input_constants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_param_types.F gopt_param_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gopt_param_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_param_types.F:167:31: 167 | SUBROUTINE gopt_param_retain(gopt_param) | ^ Warning: ‘gopt_param_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'gopt_param_types.mod' due to: gopt_param_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_param_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod input_constants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cell_opt_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cell_opt_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_keyword_types.mod cp_para_types.mod input_enumeration_types.mod mathlib.mod input_constants.mod cp_units.mod input_cp2k_global.mod mathconstants.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cell_opt_utils.F cell_opt_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cell_opt_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cell_opt_utils.F:146:47: 146 | new_logger%iter_info%project_name = c_val | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cell_opt_utils.mod' due to: cell_opt_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cell_opt_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_keyword_types.mod cp_para_types.mod input_enumeration_types.mod mathlib.mod input_constants.mod cp_units.mod input_cp2k_global.mod mathconstants.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cell_opt_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cell_opt_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod force_env_types.mod particle_list_types.mod cp_subsys_types.mod input_constants.mod cp_units.mod cp_output_handling.mod kinds.mod base_hooks.mod cell_opt_utils.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cell_opt_types.F cell_opt_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cell_opt_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cell_opt_types.mod' due to: cell_opt_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cell_opt_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod force_env_types.mod particle_list_types.mod cp_subsys_types.mod input_constants.mod cp_units.mod cp_output_handling.mod kinds.mod base_hooks.mod cell_opt_utils.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'gopt_f_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod gopt_param_types.mod force_env_types.mod dimer_types.mod global_types.mod cell_opt_types.mod cp_subsys_types.mod input_constants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f_types.F gopt_f_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gopt_f_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'gopt_f_types.mod' due to: gopt_f_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod particle_list_types.mod gopt_param_types.mod force_env_types.mod dimer_types.mod global_types.mod cell_opt_types.mod cp_subsys_types.mod input_constants.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'integrator_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/integrator_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod barostat_types.mod virial_types.mod shell_potential_types.mod cp_para_types.mod molecule_types.mod cell_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod extended_system_types.mod md_environment_types.mod atomic_kind_types.mod constraint.mod input_constants.mod base_hooks.mod message_passing.mod kinds.mod mathlib.mod constraint_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/integrator_utils.F integrator_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' integrator_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'integrator_utils.mod' due to: integrator_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/integrator_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod barostat_types.mod virial_types.mod shell_potential_types.mod cp_para_types.mod molecule_types.mod cell_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod extended_system_types.mod md_environment_types.mod atomic_kind_types.mod constraint.mod input_constants.mod base_hooks.mod message_passing.mod kinds.mod mathlib.mod constraint_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dimer_utils.mod' due to: dimer_utils.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'gopt_f_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod dimer_types.mod cp_para_types.mod cell_types.mod force_env_types.mod gopt_f_types.mod input_section_types.mod gopt_param_types.mod distribution_1d_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod atomic_kind_types.mod input_constants.mod dimer_utils.mod base_hooks.mod input_cp2k_restarts.mod kinds.mod motion_utils.mod cp_log_handling.mod machine.mod cp_units.mod particle_methods.mod qmmmx_util.mod virial_methods.mod qmmm_util.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f_methods.F gopt_f_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gopt_f_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f_methods.F:978:14: 978 | CPASSERT((SIZE(x) == idg + 6)) | ^ Warning: ‘idg’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'gopt_f_methods.mod' due to: gopt_f_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod dimer_types.mod cp_para_types.mod cell_types.mod force_env_types.mod gopt_f_types.mod input_section_types.mod gopt_param_types.mod distribution_1d_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod atomic_kind_types.mod input_constants.mod dimer_utils.mod base_hooks.mod input_cp2k_restarts.mod kinds.mod motion_utils.mod cp_log_handling.mod machine.mod cp_units.mod particle_methods.mod qmmmx_util.mod virial_methods.mod qmmm_util.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cg_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cg_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod gopt_param_types.mod dimer_types.mod global_types.mod cp_para_types.mod input_constants.mod dimer_utils.mod memory_utilities.mod mathconstants.mod kinds.mod base_hooks.mod cp_external_control.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cg_utils.F cg_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cg_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cg_utils.F:810:19: 810 | IF (ABS(d) .GT. ABS(0.5_dp*olde)) skip0 = .TRUE. | ^ Warning: ‘e’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cg_utils.mod' due to: cg_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cg_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod gopt_param_types.mod dimer_types.mod global_types.mod cp_para_types.mod input_constants.mod dimer_utils.mod memory_utilities.mod mathconstants.mod kinds.mod base_hooks.mod cp_external_control.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cg_optimizer.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cg_optimizer.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod cell_types.mod input_section_types.mod gopt_param_types.mod force_env_types.mod global_types.mod cp_para_types.mod gopt_f_methods.mod machine.mod cg_utils.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_external_control.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cg_optimizer.F cg_optimizer.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cg_optimizer.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cg_optimizer.mod' due to: cg_optimizer.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cg_optimizer.F /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod cell_types.mod input_section_types.mod gopt_param_types.mod force_env_types.mod global_types.mod cp_para_types.mod gopt_f_methods.mod machine.mod cg_utils.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_external_control.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'shell_opt.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/shell_opt.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod cp_para_types.mod force_env_types.mod global_types.mod gopt_f_types.mod input_section_types.mod gopt_param_types.mod distribution_1d_types.mod cp_subsys_types.mod atomic_kind_list_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod message_passing.mod integrator_utils.mod cp_output_handling.mod kinds.mod cp_log_handling.mod cg_optimizer.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/shell_opt.F shell_opt.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' shell_opt.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'shell_opt.mod' due to: shell_opt.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/shell_opt.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod shell_potential_types.mod cp_para_types.mod force_env_types.mod global_types.mod gopt_f_types.mod input_section_types.mod gopt_param_types.mod distribution_1d_types.mod cp_subsys_types.mod atomic_kind_list_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod message_passing.mod integrator_utils.mod cp_output_handling.mod kinds.mod cp_log_handling.mod cg_optimizer.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'md_vel_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_vel_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod shell_potential_types.mod cp_para_types.mod cell_types.mod simpar_types.mod force_env_types.mod global_types.mod input_val_types.mod molecule_kind_list_types.mod input_section_types.mod md_ener_types.mod thermal_region_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod extended_system_types.mod md_environment_types.mod atomic_kind_types.mod input_constants.mod cp_linked_list_input.mod md_util.mod base_hooks.mod force_env_utils.mod input_cp2k_binary_restarts.mod cp_output_handling.mod bibliography.mod kinds.mod force_env_methods.mod cp_log_handling.mod mathlib.mod shell_opt.mod cp_units.mod mathconstants.mod input_restart_force_eval.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_vel_utils.F md_vel_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:25:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_vel_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_vel_utils.F:706:24: 706 | rescale_regions, shellvel_explicit, shellvel_read | ^ Warning: ‘rescale_regions’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'md_vel_utils.mod' due to: md_vel_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_vel_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod shell_potential_types.mod cp_para_types.mod cell_types.mod simpar_types.mod force_env_types.mod global_types.mod input_val_types.mod molecule_kind_list_types.mod input_section_types.mod md_ener_types.mod thermal_region_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod extended_system_types.mod md_environment_types.mod atomic_kind_types.mod input_constants.mod cp_linked_list_input.mod md_util.mod base_hooks.mod force_env_utils.mod input_cp2k_binary_restarts.mod cp_output_handling.mod bibliography.mod kinds.mod force_env_methods.mod cp_log_handling.mod mathlib.mod shell_opt.mod cp_units.mod mathconstants.mod input_restart_force_eval.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rt_propagation_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagation_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_methods.mod qs_dftb_matrices.mod qs_overlap.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod mathconstants.mod qs_mo_methods.mod cp_fm_vect.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagation_utils.F rt_propagation_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/emd/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rt_propagation_utils.mod' due to: rt_propagation_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagation_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod input_constants.mod orbital_pointers.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod qs_rho_methods.mod qs_dftb_matrices.mod qs_overlap.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod mathconstants.mod qs_mo_methods.mod cp_fm_vect.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ls_matrix_exp.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ls_matrix_exp.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ls_matrix_exp.F ls_matrix_exp.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ls_matrix_exp.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ls_matrix_exp.mod' due to: ls_matrix_exp.o /build/cp2k-6PcaEs/cp2k-8.1/src/ls_matrix_exp.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rt_propagation_output.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagation_output.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod particle_list_types.mod atomic_kind_types.mod input_constants.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod rt_propagation_utils.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod cp_gemm_interface.mod qs_scf_post_tb.mod qs_linres_current.mod cp_realspace_grid_cube.mod kahan_sum.mod qs_scf_post_gpw.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagation_output.F rt_propagation_output.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/emd/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation_output.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagation_output.F:726:18: 726 | stride = section_get_ivals(dft_section, "REAL_TIME_PROPAGATION%PRINT%CURRENT%STRIDE") | 1 Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rt_propagation_output.mod' due to: rt_propagation_output.o /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagation_output.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod qs_kind_types.mod pw_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod input_section_types.mod qs_linres_types.mod qs_environment_types.mod particle_list_types.mod atomic_kind_types.mod input_constants.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod pw_methods.mod cp_fm_struct.mod message_passing.mod cp_output_handling.mod rt_propagation_utils.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod cp_gemm_interface.mod qs_scf_post_tb.mod qs_linres_current.mod cp_realspace_grid_cube.mod kahan_sum.mod qs_scf_post_gpw.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rt_make_propagators.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_make_propagators.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_control_types.mod cp_fm_types.mod cp_fm_vect.mod input_constants.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod ls_matrix_exp.mod matrix_exp.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_make_propagators.F rt_make_propagators.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:16 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/emd/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_make_propagators.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rt_make_propagators.mod' due to: rt_make_propagators.o /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_make_propagators.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_control_types.mod cp_fm_types.mod cp_fm_vect.mod input_constants.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod ls_matrix_exp.mod matrix_exp.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rt_propagation_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagation_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_energy_types.mod cp_cfm_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod cp_fm_struct.mod cp_dbcsr_cholesky.mod qs_energy_init.mod rt_propagation_utils.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod mathlib.mod ls_matrix_exp.mod iterate_matrix.mod rt_propagation_output.mod cp_fm_vect.mod cp_cfm_basic_linalg.mod rt_make_propagators.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagation_methods.F rt_propagation_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/emd/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rt_propagation_methods.mod' due to: rt_propagation_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagation_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_energy_types.mod cp_cfm_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod cp_fm_struct.mod cp_dbcsr_cholesky.mod qs_energy_init.mod rt_propagation_utils.mod bibliography.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod mathlib.mod ls_matrix_exp.mod iterate_matrix.mod rt_propagation_output.mod cp_fm_vect.mod cp_cfm_basic_linalg.mod rt_make_propagators.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rt_propagator_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagator_init.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod kinds.mod rt_propagation_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_gemm_interface.mod matrix_exp.mod cp_fm_diag.mod iterate_matrix.mod rt_make_propagators.mod arnoldi_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagator_init.F rt_propagator_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/emd/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagator_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rt_propagator_init.mod' due to: rt_propagator_init.o /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_propagator_init.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod qs_mo_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod kinds.mod rt_propagation_methods.mod cp_fm_basic_linalg.mod cp_log_handling.mod cp_gemm_interface.mod matrix_exp.mod cp_fm_diag.mod iterate_matrix.mod rt_make_propagators.mod arnoldi_api.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rt_hfx_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_hfx_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_ks_types.mod qs_rho_types.mod qs_environment_types.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_hfx_utils.F rt_hfx_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/emd/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_hfx_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rt_hfx_utils.mod' due to: rt_hfx_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_hfx_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod qs_neighbor_list_types.mod cp_control_types.mod qs_ks_types.mod qs_rho_types.mod qs_environment_types.mod cp_dbcsr_cp2k_link.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rt_delta_pulse.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_delta_pulse.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod cp_dbcsr_operations.mod commutator_rpnl.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod kinds.mod qs_moments.mod cp_fm_basic_linalg.mod cp_cfm_diag.mod mathconstants.mod cp_gemm_interface.mod cp_fm_diag.mod cp_fm_cholesky.mod cp_cfm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_delta_pulse.F rt_delta_pulse.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/emd/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_delta_pulse.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rt_delta_pulse.mod' due to: rt_delta_pulse.o /build/cp2k-6PcaEs/cp2k-8.1/src/emd/rt_delta_pulse.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod rt_propagation_types.mod qs_kind_types.mod cell_types.mod cp_control_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_neighbor_list_types.mod cp_cfm_types.mod cp_dbcsr_operations.mod commutator_rpnl.mod base_hooks.mod cp_fm_struct.mod cp_dbcsr_cp2k_link.mod kinds.mod qs_moments.mod cp_fm_basic_linalg.mod cp_cfm_diag.mod mathconstants.mod cp_gemm_interface.mod cp_fm_diag.mod cp_fm_cholesky.mod cp_cfm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'rt_propagation.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/rt_propagation.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_fm_pool_types.mod pw_env_types.mod force_env_types.mod cp_control_types.mod qs_ks_types.mod global_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod md_environment_types.mod input_constants.mod rt_propagator_init.mod base_hooks.mod cp_external_control.mod qs_ks_methods.mod qs_dftb_matrices.mod cp_output_handling.mod input_cp2k_restarts.mod qs_energy_init.mod rt_propagation_utils.mod bibliography.mod kinds.mod rt_hfx_utils.mod rt_propagation_methods.mod force_env_methods.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod rt_propagation_output.mod rt_delta_pulse.mod efield_utils.mod qs_external_potential.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/rt_propagation.F rt_propagation.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' rt_propagation.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'rt_propagation.mod' due to: rt_propagation.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/rt_propagation.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 rt_propagation_types.mod cp_fm_pool_types.mod pw_env_types.mod force_env_types.mod cp_control_types.mod qs_ks_types.mod global_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod md_environment_types.mod input_constants.mod rt_propagator_init.mod base_hooks.mod cp_external_control.mod qs_ks_methods.mod qs_dftb_matrices.mod cp_output_handling.mod input_cp2k_restarts.mod qs_energy_init.mod rt_propagation_utils.mod bibliography.mod kinds.mod rt_hfx_utils.mod rt_propagation_methods.mod force_env_methods.mod cp_log_handling.mod qs_matrix_pools.mod machine.mod rt_propagation_output.mod rt_delta_pulse.mod efield_utils.mod qs_external_potential.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'gle_system_dynamics.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod gle_system_types.mod particle_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod message_passing.mod kinds.mod thermostat_mapping.mod base_hooks.mod thermostat_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gle_system_dynamics.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'gle_system_dynamics.mod' due to: gle_system_dynamics.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/gle_system_dynamics.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod gle_system_types.mod particle_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod message_passing.mod kinds.mod thermostat_mapping.mod base_hooks.mod thermostat_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'csvr_system_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/csvr_system_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/csvr_system_utils.F csvr_system_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' csvr_system_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'csvr_system_utils.mod' due to: csvr_system_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/csvr_system_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'csvr_system_dynamics.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod distribution_1d_types.mod extended_system_types.mod atomic_kind_types.mod molecule_kind_types.mod csvr_system_types.mod molecule_types.mod kinds.mod base_hooks.mod csvr_system_utils.mod thermostat_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' csvr_system_dynamics.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'csvr_system_dynamics.mod' due to: csvr_system_dynamics.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/csvr_system_dynamics.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod distribution_1d_types.mod extended_system_types.mod atomic_kind_types.mod molecule_kind_types.mod csvr_system_types.mod molecule_types.mod kinds.mod base_hooks.mod csvr_system_utils.mod thermostat_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'al_system_mapping.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/al_system_mapping.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 al_system_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod message_passing.mod kinds.mod thermostat_mapping.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' al_system_mapping.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'al_system_mapping.mod' due to: al_system_mapping.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/al_system_mapping.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 al_system_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod input_constants.mod message_passing.mod kinds.mod thermostat_mapping.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'al_system_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/al_system_init.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod al_system_types.mod thermostat_types.mod distribution_1d_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod kinds.mod base_hooks.mod al_system_mapping.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/al_system_init.F al_system_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' al_system_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'al_system_init.mod' due to: al_system_init.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/al_system_init.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod al_system_types.mod thermostat_types.mod distribution_1d_types.mod cp_para_types.mod molecule_kind_types.mod molecule_types.mod kinds.mod base_hooks.mod al_system_mapping.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'csvr_system_mapping.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 simpar_types.mod thermostat_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod molecule_kind_types.mod csvr_system_types.mod molecule_types.mod input_constants.mod message_passing.mod kinds.mod thermostat_mapping.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' csvr_system_mapping.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'csvr_system_mapping.mod' due to: csvr_system_mapping.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/csvr_system_mapping.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 simpar_types.mod thermostat_types.mod distribution_1d_types.mod extended_system_types.mod cp_para_types.mod molecule_kind_types.mod csvr_system_types.mod molecule_types.mod input_constants.mod message_passing.mod kinds.mod thermostat_mapping.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'csvr_system_init.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/csvr_system_init.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod cp_para_types.mod molecule_kind_types.mod csvr_system_types.mod molecule_types.mod csvr_system_mapping.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' csvr_system_init.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'csvr_system_init.mod' due to: csvr_system_init.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/csvr_system_init.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod simpar_types.mod thermostat_types.mod distribution_1d_types.mod cp_para_types.mod molecule_kind_types.mod csvr_system_types.mod molecule_types.mod csvr_system_mapping.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'al_system_dynamics.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod al_system_types.mod force_env_types.mod distribution_1d_types.mod extended_system_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod kinds.mod base_hooks.mod constraint_fxd.mod thermostat_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' al_system_dynamics.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F:290:46: 290 | map_info%v_scale(imap) = 1.0_dp | ^ Warning: ‘imap’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'al_system_dynamics.mod' due to: al_system_dynamics.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/al_system_dynamics.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod al_system_types.mod force_env_types.mod distribution_1d_types.mod extended_system_types.mod atomic_kind_types.mod molecule_kind_types.mod molecule_types.mod kinds.mod base_hooks.mod constraint_fxd.mod thermostat_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'extended_system_dynamics.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod distribution_1d_types.mod shell_potential_types.mod extended_system_types.mod molecule_kind_types.mod atomic_kind_types.mod molecule_types.mod kinds.mod base_hooks.mod thermostat_utils.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' extended_system_dynamics.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'extended_system_dynamics.mod' due to: extended_system_dynamics.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/extended_system_dynamics.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod distribution_1d_types.mod shell_potential_types.mod extended_system_types.mod molecule_kind_types.mod atomic_kind_types.mod molecule_types.mod kinds.mod base_hooks.mod thermostat_utils.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'thermostat_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod simpar_types.mod force_env_types.mod global_types.mod molecule_kind_list_types.mod input_section_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod extended_system_types.mod atomic_kind_types.mod input_constants.mod gle_system_dynamics.mod extended_system_init.mod base_hooks.mod csvr_system_dynamics.mod al_system_init.mod cp_output_handling.mod bibliography.mod kinds.mod thermostat_utils.mod cp_log_handling.mod csvr_system_init.mod al_system_dynamics.mod cp_units.mod extended_system_dynamics.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' thermostat_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'thermostat_methods.mod' due to: thermostat_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/thermostat/thermostat_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod qmmm_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod simpar_types.mod force_env_types.mod global_types.mod molecule_kind_list_types.mod input_section_types.mod thermostat_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod extended_system_types.mod atomic_kind_types.mod input_constants.mod gle_system_dynamics.mod extended_system_init.mod base_hooks.mod csvr_system_dynamics.mod al_system_init.mod cp_output_handling.mod bibliography.mod kinds.mod thermostat_utils.mod cp_log_handling.mod csvr_system_init.mod al_system_dynamics.mod cp_units.mod extended_system_dynamics.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'reftraj_util.mod' due to: reftraj_util.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'statistical_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/statistical_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 global_types.mod util.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/statistical_methods.F statistical_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' statistical_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/statistical_methods.F:440:19: 440 | SUBROUTINE tests(xdata, globenv) | ^ Warning: ‘tests’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'statistical_methods.mod' due to: statistical_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/statistical_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 global_types.mod util.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'free_energy_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/free_energy_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod free_energy_types.mod force_env_types.mod md_environment_types.mod cp_subsys_types.mod colvar_methods.mod mathlib.mod input_constants.mod memory_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod statistical_methods.mod cp_log_handling.mod fparser.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/free_energy_methods.F free_energy_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:26:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' free_energy_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'free_energy_methods.mod' due to: free_energy_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/free_energy_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod free_energy_types.mod force_env_types.mod md_environment_types.mod cp_subsys_types.mod colvar_methods.mod mathlib.mod input_constants.mod memory_utilities.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod statistical_methods.mod cp_log_handling.mod fparser.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'simpar_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/simpar_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod input_keyword_types.mod input_enumeration_types.mod input_constants.mod input_cp2k_md.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/simpar_methods.F simpar_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' simpar_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'simpar_methods.mod' due to: simpar_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/simpar_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod simpar_types.mod input_keyword_types.mod input_enumeration_types.mod input_constants.mod input_cp2k_md.mod cp_units.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'wiener_process.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/wiener_process.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod simpar_types.mod metadynamics_types.mod force_env_types.mod distribution_1d_types.mod atomic_kind_list_types.mod md_environment_types.mod cp_para_types.mod particle_list_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/wiener_process.F wiener_process.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' wiener_process.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'wiener_process.mod' due to: wiener_process.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/wiener_process.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod simpar_types.mod metadynamics_types.mod force_env_types.mod distribution_1d_types.mod atomic_kind_list_types.mod md_environment_types.mod cp_para_types.mod particle_list_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qmmmx_update.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_update.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod distribution_1d_types.mod qmmm_types.mod atomic_kind_list_types.mod qmmmx_types.mod cp_subsys_types.mod base_hooks.mod input_restart_force_eval.mod qmmmx_util.mod qmmm_create.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_update.F qmmmx_update.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:04 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qmmmx_update.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qmmmx_update.mod' due to: qmmmx_update.o /build/cp2k-6PcaEs/cp2k-8.1/src/qmmmx_update.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod distribution_1d_types.mod qmmm_types.mod atomic_kind_list_types.mod qmmmx_types.mod cp_subsys_types.mod base_hooks.mod input_restart_force_eval.mod qmmmx_util.mod qmmm_create.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'metadynamics.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/metadynamics.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 colvar_types.mod cell_types.mod simpar_types.mod force_env_types.mod input_section_types.mod metadynamics_types.mod particle_list_types.mod cp_subsys_types.mod input_constants.mod base_hooks.mod metadynamics_utils.mod constraint_fxd.mod reference_manager.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod colvar_methods.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/metadynamics.F metadynamics.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' metadynamics.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/metadynamics.F:603:22: 603 | IF (scal*check_val > 0.0_dp) CYCLE | ^ Warning: ‘check_val’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'metadynamics.mod' due to: metadynamics.o /build/cp2k-6PcaEs/cp2k-8.1/src/metadynamics.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 colvar_types.mod cell_types.mod simpar_types.mod force_env_types.mod input_section_types.mod metadynamics_types.mod particle_list_types.mod cp_subsys_types.mod input_constants.mod base_hooks.mod metadynamics_utils.mod constraint_fxd.mod reference_manager.mod message_passing.mod cp_output_handling.mod bibliography.mod kinds.mod cp_log_handling.mod colvar_methods.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'integrator.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/integrator.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod barostat_types.mod rt_propagation_types.mod virial_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod simpar_types.mod force_env_types.mod cp_control_types.mod global_types.mod molecule_kind_list_types.mod thermostat_types.mod thermal_region_types.mod distribution_1d_types.mod qs_environment_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod extended_system_types.mod atomic_kind_types.mod md_environment_types.mod reftraj_types.mod constraint.mod input_constants.mod cp_parser_methods.mod base_hooks.mod constraint_fxd.mod eigenvalueproblems.mod qmmmx_update.mod thermostat_methods.mod integrator_utils.mod kinds.mod reftraj_util.mod rt_propagation_methods.mod force_env_methods.mod cp_log_handling.mod mathlib.mod shell_opt.mod cp_units.mod virial_methods.mod rt_propagation_output.mod qmmm_util.mod extended_system_dynamics.mod constraint_util.mod metadynamics.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/integrator.F integrator.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' integrator.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/integrator.F:396:65: 396 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: v_old | ^ Warning: ‘v_old.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'integrator.mod' due to: integrator.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/integrator.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod barostat_types.mod rt_propagation_types.mod virial_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod simpar_types.mod force_env_types.mod cp_control_types.mod global_types.mod molecule_kind_list_types.mod thermostat_types.mod thermal_region_types.mod distribution_1d_types.mod qs_environment_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod extended_system_types.mod atomic_kind_types.mod md_environment_types.mod reftraj_types.mod constraint.mod input_constants.mod cp_parser_methods.mod base_hooks.mod constraint_fxd.mod eigenvalueproblems.mod qmmmx_update.mod thermostat_methods.mod integrator_utils.mod kinds.mod reftraj_util.mod rt_propagation_methods.mod force_env_methods.mod cp_log_handling.mod mathlib.mod shell_opt.mod cp_units.mod virial_methods.mod rt_propagation_output.mod qmmm_util.mod extended_system_dynamics.mod constraint_util.mod metadynamics.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'velocity_verlet_control.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/velocity_verlet_control.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 simpar_types.mod force_env_types.mod md_environment_types.mod global_types.mod integrator.mod input_constants.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/velocity_verlet_control.F velocity_verlet_control.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' velocity_verlet_control.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'velocity_verlet_control.mod' due to: velocity_verlet_control.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/velocity_verlet_control.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 simpar_types.mod force_env_types.mod md_environment_types.mod global_types.mod integrator.mod input_constants.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'glbopt_callback.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/glbopt_callback.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mdctrl_types.mod md_ener_types.mod force_env_types.mod md_environment_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/glbopt_callback.F glbopt_callback.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_callback.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'glbopt_callback.mod' due to: glbopt_callback.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/glbopt_callback.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mdctrl_types.mod md_ener_types.mod force_env_types.mod md_environment_types.mod cp_subsys_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mdctrl_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mdctrl_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mdctrl_types.mod md_environment_types.mod glbopt_callback.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mdctrl_methods.F mdctrl_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mdctrl_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mdctrl_methods.mod' due to: mdctrl_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mdctrl_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mdctrl_types.mod md_environment_types.mod glbopt_callback.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'md_run.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_run.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 barostat_types.mod virial_types.mod cp_para_types.mod cell_types.mod simpar_types.mod force_env_types.mod averages_types.mod global_types.mod input_section_types.mod md_ener_types.mod thermostat_types.mod metadynamics_types.mod thermal_region_types.mod distribution_1d_types.mod particle_list_types.mod cp_subsys_types.mod mdctrl_types.mod free_energy_types.mod atomic_kind_list_types.mod md_environment_types.mod reftraj_types.mod md_vel_utils.mod input_constants.mod rt_propagation.mod md_util.mod base_hooks.mod cp_external_control.mod thermal_region_utils.mod thermostat_methods.mod cp_output_handling.mod qs_environment_methods.mod kinds.mod reftraj_util.mod free_energy_methods.mod simpar_methods.mod force_env_methods.mod md_energies.mod cp_log_handling.mod machine.mod input_cp2k_check.mod wiener_process.mod virial_methods.mod velocity_verlet_control.mod mdctrl_methods.mod metadynamics.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/md_run.F md_run.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' md_run.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_public.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_public.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod pint_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_public.F pint_public.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_public.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_public.F:80:3: 80 | FUNCTION pint_cog_pos(pint_env) RESULT(cntrd_r) | ^ Warning: ‘pint_cog_pos’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_public.F:116:35: 116 | SUBROUTINE pint_free_part_bead_x(n, t, rng_gaussian, x, nout) | ^ Warning: ‘pint_free_part_bead_x’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_gle.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_gle.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gle_system_types.mod pint_types.mod gle_system_dynamics.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_gle.F pint_gle.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_gle.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_gle.mod' due to: pint_gle.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_gle.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gle_system_types.mod pint_types.mod gle_system_dynamics.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_public.mod' due to: pint_public.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_io.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_io.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod pint_types.mod force_env_types.mod particle_list_types.mod cp_subsys_types.mod machine.mod f77_interface.mod input_constants.mod pint_public.mod cp_units.mod cp_output_handling.mod particle_methods.mod kinds.mod base_hooks.mod pint_transformations.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_io.F pint_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_io.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_io.mod' due to: pint_io.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_io.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod pint_types.mod force_env_types.mod particle_list_types.mod cp_subsys_types.mod machine.mod f77_interface.mod input_constants.mod pint_public.mod cp_units.mod cp_output_handling.mod particle_methods.mod kinds.mod base_hooks.mod pint_transformations.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'helium_common.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod splines_types.mod splines_methods.mod input_constants.mod pint_public.mod memory_utilities.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F helium_common.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_common.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:1468:3: 1468 | FUNCTION helium_bead_rij(helium, ia, ib, ja, jb) RESULT(rij) | ^ Warning: ‘helium_bead_rij’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:1776:3: 1776 | FUNCTION helium_total_winding_number_linkwise(helium) RESULT(wnum) | ^ Warning: ‘helium_total_winding_number_linkwise’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:1852:3: 1852 | FUNCTION helium_total_winding_number_cyclewise(helium) RESULT(wnum) | ^ Warning: ‘helium_total_winding_number_cyclewise’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:1982:3: 1982 | FUNCTION helium_total_projected_area_linkwise(helium) RESULT(area) | ^ Warning: ‘helium_total_projected_area_linkwise’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:2059:3: 2059 | FUNCTION helium_cycle_projected_area_pbc(helium, CYCLE) RESULT(area) | ^ Warning: ‘helium_cycle_projected_area_pbc’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:2118:3: 2118 | FUNCTION helium_total_projected_area_cyclewise(helium) RESULT(area) | ^ Warning: ‘helium_total_projected_area_cyclewise’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:2250:3: 2250 | FUNCTION helium_total_moment_of_inertia_linkwise(helium) RESULT(moit) | ^ Warning: ‘helium_total_moment_of_inertia_linkwise’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:2329:3: 2329 | FUNCTION helium_total_moment_of_inertia_cyclewise(helium) RESULT(moit) | ^ Warning: ‘helium_total_moment_of_inertia_cyclewise’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:2445:3: 2445 | FUNCTION helium_link_vector(helium, ia, ib) RESULT(lvec) | ^ Warning: ‘helium_link_vector’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:2479:3: 2479 | FUNCTION helium_rperpendicular(helium, ia, ib) RESULT(rperp) | ^ Warning: ‘helium_rperpendicular’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F:354:31: 354 | DEALLOCATE (used_indices) | ^ Warning: ‘used_indices.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'helium_common.mod' due to: helium_common.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_common.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod splines_types.mod splines_methods.mod input_constants.mod pint_public.mod memory_utilities.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'helium_interactions.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_interactions.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod splines_types.mod input_constants.mod helium_common.mod kinds.mod base_hooks.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_interactions.F helium_interactions.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_interactions.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'helium_interactions.mod' due to: helium_interactions.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_interactions.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod splines_types.mod input_constants.mod helium_common.mod kinds.mod base_hooks.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'helium_io.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_io.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cell_types.mod helium_types.mod input_section_types.mod cp_parser_types.mod pint_types.mod input_constants.mod cp_parser_methods.mod helium_common.mod base_hooks.mod message_passing.mod cp_output_handling.mod kinds.mod physcon.mod cp_log_handling.mod machine.mod cp_units.mod memory_utilities.mod helium_interactions.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_io.F helium_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_io.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'helium_io.mod' due to: helium_io.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_io.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cell_types.mod helium_types.mod input_section_types.mod cp_parser_types.mod pint_types.mod input_constants.mod cp_parser_methods.mod helium_common.mod base_hooks.mod message_passing.mod cp_output_handling.mod kinds.mod physcon.mod cp_log_handling.mod machine.mod cp_units.mod memory_utilities.mod helium_interactions.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'helium_worm.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_worm.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod input_constants.mod helium_interactions.mod mathconstants.mod kinds.mod base_hooks.mod helium_io.mod helium_common.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_worm.F helium_worm.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:27:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_worm.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'helium_worm.mod' due to: helium_worm.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_worm.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 pint_types.mod helium_types.mod input_constants.mod helium_interactions.mod mathconstants.mod kinds.mod base_hooks.mod helium_io.mod helium_common.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'helium_sampling.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_sampling.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 global_types.mod helium_types.mod splines_types.mod pint_types.mod input_constants.mod helium_common.mod base_hooks.mod cp_external_control.mod message_passing.mod cp_output_handling.mod input_cp2k_restarts.mod kinds.mod physcon.mod cp_log_handling.mod machine.mod helium_worm.mod helium_interactions.mod helium_io.mod pint_public.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_sampling.F helium_sampling.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:28:09 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_sampling.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'helium_sampling.mod' due to: helium_sampling.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_sampling.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 global_types.mod helium_types.mod splines_types.mod pint_types.mod input_constants.mod helium_common.mod base_hooks.mod cp_external_control.mod message_passing.mod cp_output_handling.mod input_cp2k_restarts.mod kinds.mod physcon.mod cp_log_handling.mod machine.mod helium_worm.mod helium_interactions.mod helium_io.mod pint_public.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'replica_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/replica_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod replica_types.mod qs_wf_history_types.mod force_env_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod cp_result_types.mod cp_subsys_types.mod cp_para_env.mod f77_interface.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod qs_wf_history_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/replica_methods.F replica_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:28:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' replica_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'replica_methods.mod' due to: replica_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/replica_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod replica_types.mod qs_wf_history_types.mod force_env_types.mod cp_control_types.mod qs_environment_types.mod cp_para_types.mod cp_result_types.mod cp_subsys_types.mod cp_para_env.mod f77_interface.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_files.mod cp_log_handling.mod qs_wf_history_methods.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_piglet.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_piglet.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod cp_para_types.mod pint_types.mod input_constants.mod message_passing.mod gle_system_dynamics.mod cp_units.mod kinds.mod base_hooks.mod cp_files.mod pint_io.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_piglet.F pint_piglet.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:28:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_piglet.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_piglet.mod' due to: pint_piglet.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_piglet.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod cp_para_types.mod pint_types.mod input_constants.mod message_passing.mod gle_system_dynamics.mod cp_units.mod kinds.mod base_hooks.mod cp_files.mod pint_io.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'helium_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod force_env_types.mod helium_types.mod splines_types.mod pint_types.mod input_section_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_types.mod f77_interface.mod input_constants.mod splines_methods.mod base_hooks.mod message_passing.mod helium_sampling.mod cp_output_handling.mod bibliography.mod kinds.mod physcon.mod cp_log_handling.mod helium_interactions.mod mathconstants.mod helium_io.mod cp_files.mod pint_public.mod helium_common.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_methods.F helium_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:28:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' helium_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_methods.F:439:16: 439 | IF (expl_pot) THEN | ^ Warning: ‘expl_pot’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'helium_methods.mod' due to: helium_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/helium_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod force_env_types.mod helium_types.mod splines_types.mod pint_types.mod input_section_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_types.mod f77_interface.mod input_constants.mod splines_methods.mod base_hooks.mod message_passing.mod helium_sampling.mod cp_output_handling.mod bibliography.mod kinds.mod physcon.mod cp_log_handling.mod helium_interactions.mod mathconstants.mod helium_io.mod cp_files.mod pint_public.mod helium_common.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_qtb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_qtb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod pint_types.mod cp_para_types.mod fft_tools.mod input_constants.mod message_passing.mod fft_lib.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod fft_plan.mod cp_files.mod pint_io.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_qtb.F pint_qtb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:28:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_qtb.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_qtb.mod' due to: pint_qtb.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_qtb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod parallel_rng_types.mod pint_types.mod cp_para_types.mod fft_tools.mod input_constants.mod message_passing.mod fft_lib.mod cp_output_handling.mod mathconstants.mod kinds.mod base_hooks.mod fft_plan.mod cp_files.mod pint_io.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_pile.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_pile.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod pint_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_pile.F pint_pile.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:28:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_pile.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_pile.mod' due to: pint_pile.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_pile.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod pint_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pint_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod replica_types.mod cell_types.mod simpar_types.mod force_env_types.mod global_types.mod helium_types.mod molecule_kind_list_types.mod input_section_types.mod distribution_1d_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod gle_system_types.mod atomic_kind_list_types.mod atomic_kind_types.mod pint_types.mod constraint.mod f77_interface.mod input_constants.mod gle_system_dynamics.mod base_hooks.mod pint_gle.mod cp_external_control.mod pint_io.mod pint_staging.mod message_passing.mod helium_sampling.mod cp_output_handling.mod input_cp2k_restarts.mod bibliography.mod kinds.mod cp_log_handling.mod machine.mod mathlib.mod replica_methods.mod cp_units.mod helium_interactions.mod pint_piglet.mod mathconstants.mod helium_io.mod helium_methods.mod pint_qtb.mod pint_normalmode.mod pint_public.mod pint_pile.mod constraint_util.mod pint_transformations.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_methods.F pint_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:28:49 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pint_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_methods.F:692:25: 692 | SUBROUTINE pint_retain(pint_env) | ^ Warning: ‘pint_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_methods.F:793:23: 793 | SUBROUTINE pint_test(para_env, input, input_declaration) | ^ Warning: ‘pint_test’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_methods.F:1202:89: 1202 | itmp, j, n_rep_val, nparticle, & | ^ Warning: ‘nparticle’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_methods.F:1902:82: 1902 | iresp, j, k, nparticle, nparticle_kind | ^ Warning: ‘nparticle’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/pint_methods.F:2429:66: 2429 | pint_env%uv(1, j + (i - 1)*3) = vel(j, i)*factor | ^ Warning: ‘factor’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mode_selective.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod replica_types.mod global_types.mod cp_para_types.mod mathlib.mod input_constants.mod message_passing.mod molden_utils.mod replica_methods.mod cp_output_handling.mod util.mod kinds.mod cp_result_methods.mod base_hooks.mod cp_files.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F mode_selective.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mode_selective.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F:843:100: 843 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: approx_H, H_save, residuum, tmp_b, tmp_s | ^ Warning: ‘tmp_s.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F:843:100: Warning: ‘tmp_s.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F:328:43: 328 | ms_vib%inv_range(1) = my_val | ^ Warning: ‘my_val’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F:276:66: 276 | REAL(KIND=dp) :: my_val, norm | ^ note: ‘my_val’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F:120:67: 120 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: tmp_dip | ^ Warning: ‘tmp_dip.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F:120:67: Warning: ‘tmp_dip.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F:120:67: Warning: ‘tmp_dip.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F:120:67: Warning: ‘tmp_dip.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mode_selective.mod' due to: mode_selective.o /build/cp2k-6PcaEs/cp2k-8.1/src/mode_selective.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod replica_types.mod global_types.mod cp_para_types.mod mathlib.mod input_constants.mod message_passing.mod molden_utils.mod replica_methods.mod cp_output_handling.mod util.mod kinds.mod cp_result_methods.mod base_hooks.mod cp_files.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'vibrational_analysis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/vibrational_analysis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod replica_types.mod force_env_types.mod global_types.mod cp_fm_types.mod molecule_kind_list_types.mod input_section_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_types.mod cp_blacs_env.mod f77_interface.mod input_constants.mod molden_utils.mod cp_result_methods.mod base_hooks.mod grrm_utils.mod cp_fm_struct.mod cp_output_handling.mod kinds.mod motion_utils.mod scine_utils.mod cp_log_handling.mod mathlib.mod replica_methods.mod particle_methods.mod mathconstants.mod util.mod header.mod mode_selective.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/vibrational_analysis.F vibrational_analysis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' vibrational_analysis.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/vibrational_analysis.F:124:72: 124 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: D, dip_deriv, RotTrM | ^ Warning: ‘dip_deriv.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/vibrational_analysis.F:124:72: Warning: ‘dip_deriv.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/vibrational_analysis.F:125:67: 125 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: tmp_dip | ^ Warning: ‘tmp_dip.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/vibrational_analysis.F:125:67: Warning: ‘tmp_dip.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/vibrational_analysis.F:125:67: Warning: ‘tmp_dip.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/vibrational_analysis.F:125:67: Warning: ‘tmp_dip.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/vibrational_analysis.F:125:67: Warning: ‘tmp_dip.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'bfgs_optimizer.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/bfgs_optimizer.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod cp_fm_types.mod gopt_f_types.mod input_section_types.mod gopt_param_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_list_types.mod atomic_kind_types.mod cp_blacs_env.mod input_constants.mod base_hooks.mod cp_external_control.mod constraint_fxd.mod cp_fm_struct.mod gopt_f_methods.mod message_passing.mod cp_output_handling.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod cp_gemm_interface.mod cp_files.mod cp_fm_diag.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/bfgs_optimizer.F bfgs_optimizer.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' bfgs_optimizer.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_neb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_neb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod input_cp2k_thermostats.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_neb.F input_cp2k_neb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_neb.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_neb.mod' due to: input_cp2k_neb.o /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_neb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod input_cp2k_thermostats.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'neb_md_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_md_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod neb_types.mod global_types.mod input_constants.mod cp_units.mod kinds.mod base_hooks.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_md_utils.F neb_md_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_md_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_md_utils.F:119:47: 119 | temp = 2.0_dp*akin/REAL(nvar, KIND=dp) | ^ Warning: ‘nvar’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'neb_md_utils.mod' due to: neb_md_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_md_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod neb_types.mod global_types.mod input_constants.mod cp_units.mod kinds.mod base_hooks.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'neb_io.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_io.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_keyword_types.mod replica_types.mod cell_types.mod force_env_types.mod input_section_types.mod neb_types.mod input_enumeration_types.mod cp2k_info.mod f77_interface.mod input_constants.mod base_hooks.mod cp_output_handling.mod input_cp2k_restarts.mod kinds.mod cp_log_handling.mod machine.mod cp_units.mod particle_methods.mod cp_files.mod input_cp2k_neb.mod neb_md_utils.mod header.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_io.F neb_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_io.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_io.F:426:55: 426 | logger%iter_info%project_name = replica_proj_name | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'neb_io.mod' due to: neb_io.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'md_run.mod' due to: md_run.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_lbfgs.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod kinds.mod bibliography.mod base_hooks.mod cp_files.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs.F cp_lbfgs.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:39 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_lbfgs.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs.F:1223:62: 1223 | tu, wmc, wmp, wmw, zibp | ^ Warning: ‘tu’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs.F:1308:38: 1308 | t(nbreak) = tl/(-neggi) | ^ Warning: ‘tl’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_lbfgs.mod' due to: cp_lbfgs.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 machine.mod kinds.mod bibliography.mod base_hooks.mod cp_files.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_lbfgs_optimizer_gopt.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod input_section_types.mod gopt_param_types.mod force_env_types.mod cp_para_types.mod gopt_f_methods.mod machine.mod cp_para_env.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_lbfgs.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F cp_lbfgs_optimizer_gopt.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:46 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_lbfgs_optimizer_gopt.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F:302:32: 302 | SUBROUTINE cp_opt_gopt_retain(optimizer) | ^ Warning: ‘cp_opt_gopt_retain’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F:398:29: 398 | SUBROUTINE cp_opt_gopt_get(optimizer, para_env, & | ^ Warning: ‘cp_opt_gopt_get’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_lbfgs_optimizer_gopt.mod' due to: cp_lbfgs_optimizer_gopt.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs_optimizer_gopt.F /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.f90 /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod input_section_types.mod gopt_param_types.mod force_env_types.mod cp_para_types.mod gopt_f_methods.mod machine.mod cp_para_env.mod message_passing.mod cp_output_handling.mod kinds.mod base_hooks.mod cp_lbfgs.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp_lbfgs_geo.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs_geo.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod cell_types.mod input_section_types.mod gopt_param_types.mod force_env_types.mod global_types.mod cp_para_types.mod gopt_f_methods.mod input_constants.mod cp_output_handling.mod cp_lbfgs_optimizer_gopt.mod kinds.mod base_hooks.mod cp_external_control.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs_geo.F cp_lbfgs_geo.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp_lbfgs_geo.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp_lbfgs_geo.mod' due to: cp_lbfgs_geo.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cp_lbfgs_geo.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod cell_types.mod input_section_types.mod gopt_param_types.mod force_env_types.mod global_types.mod cp_para_types.mod gopt_f_methods.mod input_constants.mod cp_output_handling.mod cp_lbfgs_optimizer_gopt.mod kinds.mod base_hooks.mod cp_external_control.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'bfgs_optimizer.mod' due to: bfgs_optimizer.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'geo_opt.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/geo_opt.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod input_section_types.mod gopt_param_types.mod force_env_types.mod global_types.mod cg_optimizer.mod gopt_f_methods.mod cp_lbfgs_geo.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod bfgs_optimizer.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/geo_opt.F geo_opt.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' geo_opt.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'geo_opt.mod' due to: geo_opt.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/geo_opt.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod input_section_types.mod gopt_param_types.mod force_env_types.mod global_types.mod cg_optimizer.mod gopt_f_methods.mod cp_lbfgs_geo.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod bfgs_optimizer.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'neb_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod replica_types.mod force_env_types.mod global_types.mod input_section_types.mod neb_types.mod cp_parser_types.mod f77_interface.mod input_constants.mod cp_parser_methods.mod neb_io.mod base_hooks.mod colvar_utils.mod cp_output_handling.mod bibliography.mod kinds.mod rmsd.mod force_env_methods.mod cp_log_handling.mod mathlib.mod replica_methods.mod input_cp2k_check.mod neb_md_utils.mod md_run.mod geo_opt.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_utils.F neb_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:29:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_utils.F:482:64: 482 | forces%wrk(:, SIZE(forces%wrk, 2)) = tmp_b ! Image B | ^ Warning: ‘tmp_b.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_utils.F:379:74: 379 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: tangent, tmp_a, tmp_b | ^ Warning: ‘tmp_a.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'neb_utils.mod' due to: neb_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod replica_types.mod force_env_types.mod global_types.mod input_section_types.mod neb_types.mod cp_parser_types.mod f77_interface.mod input_constants.mod cp_parser_methods.mod neb_io.mod base_hooks.mod colvar_utils.mod cp_output_handling.mod bibliography.mod kinds.mod rmsd.mod force_env_methods.mod cp_log_handling.mod mathlib.mod replica_methods.mod input_cp2k_check.mod neb_md_utils.mod md_run.mod geo_opt.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'neb_opt_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_opt_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod replica_types.mod neb_types.mod neb_utils.mod kinds.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_opt_utils.F neb_opt_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:05 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_opt_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'dimer_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dimer_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod input_section_types.mod force_env_types.mod dimer_types.mod particle_list_types.mod cp_subsys_types.mod input_constants.mod dimer_utils.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod motion_utils.mod geo_opt.mod force_env_methods.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/dimer_methods.F dimer_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' dimer_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'neb_opt_utils.mod' due to: neb_opt_utils.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'neb_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_para_types.mod replica_types.mod force_env_types.mod global_types.mod input_section_types.mod cp_subsys_types.mod neb_types.mod f77_interface.mod input_constants.mod neb_opt_utils.mod neb_io.mod base_hooks.mod cp_external_control.mod colvar_utils.mod neb_utils.mod cp_output_handling.mod kinds.mod cp_log_handling.mod replica_methods.mod neb_md_utils.mod header.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/neb_methods.F neb_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' neb_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cell_opt.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cell_opt.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 gopt_f_types.mod input_section_types.mod gopt_param_types.mod force_env_types.mod global_types.mod cg_optimizer.mod gopt_f_methods.mod cp_lbfgs_geo.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod bfgs_optimizer.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/cell_opt.F cell_opt.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cell_opt.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'dimer_methods.mod' due to: dimer_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'gopt_f77_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 virial_types.mod cp_para_types.mod cell_types.mod force_env_types.mod averages_types.mod gopt_f_types.mod input_section_types.mod particle_list_types.mod cp_subsys_types.mod input_constants.mod base_hooks.mod dimer_methods.mod gopt_f_methods.mod message_passing.mod cell_methods.mod bibliography.mod kinds.mod cell_opt_utils.mod force_env_methods.mod cp_log_handling.mod particle_methods.mod virial_methods.mod md_run.mod geo_opt.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/gopt_f77_methods.F gopt_f77_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:22 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' gopt_f77_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_vib.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/input_cp2k_vib.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_units.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/input_cp2k_vib.F input_cp2k_vib.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_vib.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a' due to: helium_types.o dimer_utils.o reftraj_util.o md_run.o pint_public.o gopt_param_types.o dimer_types.o pint_methods.o gopt_f_types.o mdctrl_methods.o pint_io.o vibrational_analysis.o cell_opt_utils.o bfgs_optimizer.o helium_methods.o pint_normalmode.o cg_optimizer.o shell_opt.o neb_io.o simpar_methods.o md_ener_types.o neb_opt_utils.o cg_utils.o input_cp2k_md.o integrator_utils.o free_energy_methods.o dimer_methods.o md_conserved_quantities.o glbopt_callback.o neb_methods.o geo_opt.o pint_types.o helium_worm.o helium_common.o md_environment_types.o cell_opt.o velocity_verlet_control.o wiener_process.o neb_types.o md_energies.o gopt_f_methods.o gopt_f77_methods.o pint_transformations.o averages_types.o cell_opt_types.o helium_sampling.o neb_utils.o helium_io.o cp_lbfgs_geo.o md_util.o cp_lbfgs_optimizer_gopt.o cp_lbfgs.o reftraj_types.o rt_propagation.o pint_piglet.o thermal_region_utils.o pint_pile.o pint_staging.o neb_md_utils.o md_vel_utils.o pint_gle.o thermal_region_types.o input_cp2k_vib.o input_cp2k_restarts.o pint_qtb.o integrator.o helium_interactions.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a helium_types.o dimer_utils.o reftraj_util.o md_run.o pint_public.o gopt_param_types.o dimer_types.o pint_methods.o gopt_f_types.o mdctrl_methods.o pint_io.o vibrational_analysis.o cell_opt_utils.o bfgs_optimizer.o helium_methods.o pint_normalmode.o cg_optimizer.o shell_opt.o neb_io.o simpar_methods.o md_ener_types.o neb_opt_utils.o cg_utils.o input_cp2k_md.o integrator_utils.o free_energy_methods.o dimer_methods.o md_conserved_quantities.o glbopt_callback.o neb_methods.o geo_opt.o pint_types.o helium_worm.o helium_common.o md_environment_types.o cell_opt.o velocity_verlet_control.o wiener_process.o neb_types.o md_energies.o gopt_f_methods.o gopt_f77_methods.o pint_transformations.o averages_types.o cell_opt_types.o helium_sampling.o neb_utils.o helium_io.o cp_lbfgs_geo.o md_util.o cp_lbfgs_optimizer_gopt.o cp_lbfgs.o reftraj_types.o rt_propagation.o pint_piglet.o thermal_region_utils.o pint_pile.o pint_staging.o neb_md_utils.o md_vel_utils.o pint_gle.o thermal_region_types.o input_cp2k_vib.o input_cp2k_restarts.o pint_qtb.o integrator.o helium_interactions.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a' due to: barostat_types.o thermostat_methods.o al_system_init.o csvr_system_dynamics.o thermostat_mapping.o extended_system_init.o gle_system_dynamics.o extended_system_mapping.o thermostat_types.o csvr_system_init.o input_cp2k_barostats.o extended_system_dynamics.o al_system_dynamics.o thermostat_utils.o csvr_system_mapping.o al_system_mapping.o barostat_utils.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a barostat_types.o thermostat_methods.o al_system_init.o csvr_system_dynamics.o thermostat_mapping.o extended_system_init.o gle_system_dynamics.o extended_system_mapping.o thermostat_types.o csvr_system_init.o input_cp2k_barostats.o extended_system_dynamics.o al_system_dynamics.o thermostat_utils.o csvr_system_mapping.o al_system_mapping.o barostat_utils.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a' due to: rt_propagation_methods.o rt_propagator_init.o rt_delta_pulse.o rt_hfx_utils.o rt_make_propagators.o rt_propagation_output.o rt_propagation_utils.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a rt_propagation_methods.o rt_propagator_init.o rt_delta_pulse.o rt_hfx_utils.o rt_make_propagators.o rt_propagation_output.o rt_propagation_utils.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp2k_debug.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/cp2k_debug.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod virial_types.mod cp_para_types.mod qs_kind_types.mod cell_types.mod force_env_types.mod cp_control_types.mod input_section_types.mod qs_environment_types.mod cp_result_types.mod cp_subsys_types.mod input_constants.mod cp_result_methods.mod base_hooks.mod cp_output_handling.mod kinds.mod force_env_methods.mod cp_log_handling.mod particle_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/cp2k_debug.F cp2k_debug.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:26 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp2k_debug.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_green_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_green_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod mathconstants.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_green_methods.F negf_green_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:29 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_green_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod qs_p_env_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod kinds.mod base_hooks.mod qs_matrix_pools.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_types.F qs_tddfpt_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_types.mod' due to: qs_tddfpt_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod cp_control_types.mod qs_p_env_types.mod qs_environment_types.mod cp_para_types.mod cp_fm_types.mod cp_fm_struct.mod cp_blacs_env.mod kinds.mod base_hooks.mod qs_matrix_pools.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_tddfpt_types.mod cp_control_types.mod qs_p_env_types.mod qs_environment_types.mod qs_mo_types.mod cp_fm_types.mod qs_p_env_methods.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod physcon.mod cp_fm_basic_linalg.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_utils.F qs_tddfpt_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_utils.mod' due to: qs_tddfpt_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_tddfpt_types.mod cp_control_types.mod qs_p_env_types.mod qs_environment_types.mod qs_mo_types.mod cp_fm_types.mod qs_p_env_methods.mod cp_fm_cholesky.mod cp_dbcsr_operations.mod kinds.mod base_hooks.mod physcon.mod cp_fm_basic_linalg.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_eigensolver.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_eigensolver.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_fm_pool_types.mod qs_p_env_types.mod cp_para_types.mod qs_tddfpt_types.mod cp_control_types.mod cp_fm_types.mod qs_environment_types.mod cp_blacs_env.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_p_env_methods.mod cp_fm_struct.mod kinds.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod cp_fm_diag.mod qs_tddfpt_utils.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:36 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt_eigensolver.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_eigensolver.F:447:13: 447 | IF (mode == 'L') THEN | ^ Warning: ‘mode[1]{lb: 1 sz: 1}’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'farming_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/farming_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/farming_types.F farming_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:40 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' farming_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_alloc_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_alloc_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_alloc_types.F negf_alloc_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_alloc_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'optimize_basis_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_basis_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod powell.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_basis_types.F optimize_basis_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_basis_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'optimize_basis_types.mod' due to: optimize_basis_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_basis_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod powell.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'optimize_basis_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_basis_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod cp_para_types.mod optimize_basis_types.mod machine.mod input_constants.mod string_utilities.mod cp_parser_methods.mod kinds.mod base_hooks.mod cp_files.mod powell.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_basis_utils.F optimize_basis_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_basis_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'optbas_opt_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/optbas_opt_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_mo_types.mod cp_fm_types.mod admm_types.mod cp_dbcsr_operations.mod cp_gemm_interface.mod kinds.mod base_hooks.mod cp_fm_diag.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/optbas_opt_utils.F optbas_opt_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optbas_opt_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_optimize_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_optimize_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_optimize_input.F input_optimize_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:53 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_optimize_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mao_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mao_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mao_types.F mao_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mao_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/mao_types.F:38:29: 38 | SUBROUTINE create_mao_type(mao_env) | ^ Warning: ‘create_mao_type’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'semi_empirical_int_debug.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_debug.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 semi_empirical_types.mod semi_empirical_int_utils.mod kinds.mod base_hooks.mod semi_empirical_int_num.mod semi_empirical_int_arrays.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/semi_empirical_int_debug.F semi_empirical_int_debug.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' semi_empirical_int_debug.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_alloc_types.mod' due to: negf_alloc_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_control_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_control_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod negf_alloc_types.mod molecule_kind_types.mod molecule_types.mod cp_subsys_types.mod input_constants.mod util.mod mathconstants.mod kinds.mod base_hooks.mod string_utilities.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_control_types.F negf_control_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:30:57 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_control_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_control_types.mod' due to: negf_control_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/negf_control_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod input_section_types.mod negf_alloc_types.mod molecule_kind_types.mod molecule_types.mod cp_subsys_types.mod input_constants.mod util.mod mathconstants.mod kinds.mod base_hooks.mod string_utilities.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_subgroup_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_subgroup_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod negf_control_types.mod cp_para_env.mod cp_blacs_env.mod message_passing.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_subgroup_types.F negf_subgroup_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_subgroup_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_subgroup_types.mod' due to: negf_subgroup_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/negf_subgroup_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod negf_control_types.mod cp_para_env.mod cp_blacs_env.mod message_passing.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_atom_map.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_atom_map.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_subsys_types.mod atomic_kind_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_atom_map.F negf_atom_map.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_atom_map.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_atom_map.mod' due to: negf_atom_map.o /build/cp2k-6PcaEs/cp2k-8.1/src/negf_atom_map.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod cell_types.mod qs_subsys_types.mod atomic_kind_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_matrix_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_matrix_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod negf_alloc_types.mod qs_subsys_types.mod cp_para_types.mod cp_fm_types.mod negf_atom_map.mod message_passing.mod particle_methods.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_matrix_utils.F negf_matrix_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_matrix_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_matrix_utils.mod' due to: negf_matrix_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/negf_matrix_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_kind_types.mod particle_types.mod negf_alloc_types.mod qs_subsys_types.mod cp_para_types.mod cp_fm_types.mod negf_atom_map.mod message_passing.mod particle_methods.mod kinds.mod base_hooks.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_vectors.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_vectors.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod particle_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_vectors.F negf_vectors.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_vectors.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_vectors.mod' due to: negf_vectors.o /build/cp2k-6PcaEs/cp2k-8.1/src/negf_vectors.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_subsys_types.mod particle_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_env_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_env_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod negf_subgroup_types.mod qs_rho_types.mod pw_types.mod qs_subsys_types.mod cp_para_types.mod kpoint_types.mod negf_control_types.mod cell_types.mod pw_env_types.mod force_env_types.mod cp_control_types.mod pw_pool_types.mod cp_fm_types.mod qs_density_mixing_types.mod input_section_types.mod qs_environment_types.mod qs_mo_types.mod negf_atom_map.mod cp_blacs_env.mod base_hooks.mod qs_energy.mod cp_fm_struct.mod message_passing.mod qs_energy_init.mod kinds.mod negf_matrix_utils.mod negf_vectors.mod qs_integrate_potential.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_env_types.F negf_env_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_env_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/negf_env_types.F:1051:13: 1051 | IF (imo == 0) THEN | ^ Warning: ‘imo’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/negf_env_types.F:995:93: 995 | INTEGER :: handle, homo, ikpgr, ikpoint, imo, & | ^ note: ‘imo’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cg_test.mod' due to: cg_test.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ai_coulomb_test.mod' due to: ai_coulomb_test.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'shg_integrals_test.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/shg_integrals_test.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod basis_set_types.mod generic_shg_integrals.mod orbital_transformation_matrices.mod orbital_pointers.mod constants_operator.mod input_cp2k_subsys.mod kinds.mod base_hooks.mod generic_os_integrals.mod generic_shg_integrals_init.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/shg_integrals_test.F shg_integrals_test.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' shg_integrals_test.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'shg_integrals_test.mod' due to: shg_integrals_test.o /build/cp2k-6PcaEs/cp2k-8.1/src/shg_integrals_test.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod basis_set_types.mod generic_shg_integrals.mod orbital_transformation_matrices.mod orbital_pointers.mod constants_operator.mod input_cp2k_subsys.mod kinds.mod base_hooks.mod generic_os_integrals.mod generic_shg_integrals_init.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'library_tests.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/library_tests.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod pw_types.mod cp_para_types.mod pw_grid_types.mod cell_types.mod global_types.mod cp_fm_types.mod input_section_types.mod realspace_grid_types.mod cp_blacs_env.mod mp2_grids.mod cp_realspace_grid_init.mod input_constants.mod base_hooks.mod pw_methods.mod cp_fm_struct.mod fft_tools.mod message_passing.mod cp_output_handling.mod kinds.mod cg_test.mod cp_fm_basic_linalg.mod cp_eri_mme_interface.mod cp_log_handling.mod machine.mod cp_gemm_interface.mod cp_files.mod cp_fm_diag.mod pw_grids.mod ai_coulomb_test.mod minimax_exp.mod shg_integrals_test.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/library_tests.F library_tests.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' library_tests.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/library_tests.F:925:21: 925 | ELSE IF (is_fullspace) THEN | ^ Warning: ‘is_fullspace’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'optbas_fenv_manipulation.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/optbas_fenv_manipulation.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod cp_fm_pool_types.mod qs_rho_types.mod cp_para_types.mod qs_kind_types.mod cp_control_types.mod qs_ks_types.mod scf_control_types.mod cp_fm_types.mod input_section_types.mod basis_set_container_types.mod qs_environment_types.mod optimize_basis_types.mod qs_mo_types.mod basis_set_types.mod qs_neighbor_list_types.mod atomic_kind_types.mod admm_types.mod cp_blacs_env.mod input_constants.mod qs_mo_io.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod qs_rho_methods.mod cp_fm_struct.mod cp_output_handling.mod qs_energy_init.mod qs_overlap.mod qs_interactions.mod kinds.mod string_utilities.mod cp_fm_basic_linalg.mod cp_log_handling.mod qs_matrix_pools.mod qs_mo_methods.mod cp_fm_cholesky.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optbas_fenv_manipulation.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'optbas_fenv_manipulation.mod' due to: optbas_fenv_manipulation.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'optimize_basis_utils.mod' due to: optimize_basis_utils.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'optbas_opt_utils.mod' due to: optbas_opt_utils.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'optimize_basis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_basis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod force_env_types.mod qs_ks_types.mod cp_fm_types.mod input_section_types.mod qs_environment_types.mod optimize_basis_types.mod cp_blacs_env.mod f77_interface.mod base_hooks.mod powell.mod input_cp2k_read.mod cp_para_env.mod message_passing.mod optbas_fenv_manipulation.mod kinds.mod qs_neighbor_lists.mod cp_log_handling.mod machine.mod optimize_basis_utils.mod optbas_opt_utils.mod admm_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_basis.F optimize_basis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_basis.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_integr_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_utils.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_utils.F negf_integr_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_integr_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_utils.F:181:3: 181 | PURE FUNCTION get_axis_rotation_angle(a, b) RESULT(phi) | ^ Warning: ‘get_axis_rotation_angle’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_integr_utils.mod' due to: negf_integr_utils.o /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_utils.F /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_utils.fypp /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod mathconstants.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_integr_cc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_cc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod fft_tools.mod cp_cfm_basic_linalg.mod mathconstants.mod kinds.mod base_hooks.mod kahan_sum.mod negf_integr_utils.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_cc.F negf_integr_cc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_integr_cc.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_cc.F:400:51: 400 | ALLOCATE (cc_env%zdata_cache(nnodes_half)) | ^ Warning: ‘nnodes_half’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_cc.F:273:41: 273 | ALLOCATE (xnodes_next(nnodes_next)) | ^ Warning: ‘nnodes_next’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_admm_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_admm_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod mathlib.mod input_constants.mod atom_output.mod atom_operators.mod atom_utils.mod kinds.mod base_hooks.mod atom_xc.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_admm_methods.F atom_admm_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_admm_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atom_admm_methods.F:213:19: 213 | IF (rhf) THEN | ^ Warning: ‘rhf’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_admm_methods.mod' due to: atom_admm_methods.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_admm_methods.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod mathlib.mod input_constants.mod atom_output.mod atom_operators.mod atom_utils.mod kinds.mod base_hooks.mod atom_xc.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_grb.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_grb.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod qs_grid_atom.mod input_constants.mod orbital_pointers.mod orbital_transformation_matrices.mod mathconstants.mod atom_operators.mod atom_utils.mod kinds.mod base_hooks.mod ai_onecenter.mod cp_files.mod lapack.mod powell.mod periodic_table.mod atom_electronic_structure.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_grb.F atom_grb.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_grb.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atom_grb.F:763:23: 763 | nval = lmax | ^ Warning: ‘lmax’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_grb.F:765:69: 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax) | ^ Warning: ‘lmin’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_grb.F:763:23: 763 | nval = lmax | ^ Warning: ‘lmax’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_grb.F:765:69: 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax) | ^ Warning: ‘lmin’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_grb.F:763:23: 763 | nval = lmax | ^ Warning: ‘lmax’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_grb.F:765:69: 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax) | ^ Warning: ‘lmin’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_grb.F:265:54: 265 | state%occupation(lhomo, nhomo) = fhomo + dene | ^ Warning: ‘fhomo’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_grb.mod' due to: atom_grb.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_grb.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod qs_grid_atom.mod input_constants.mod orbital_pointers.mod orbital_transformation_matrices.mod mathconstants.mod atom_operators.mod atom_utils.mod kinds.mod base_hooks.mod ai_onecenter.mod cp_files.mod lapack.mod powell.mod periodic_table.mod atom_electronic_structure.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_energy.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_energy.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod atom_operators.mod base_hooks.mod atom_fit.mod atom_electronic_structure.mod cp_output_handling.mod atom_sgp.mod kinds.mod atom_xc.mod cp_log_handling.mod atom_admm_methods.mod mathconstants.mod atom_output.mod atom_utils.mod atom_grb.mod periodic_table.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_energy.F atom_energy.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:31:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_energy.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/atom_energy.F:530:54: 530 | state%occupation(lhomo, nhomo) = fhomo + dene | ^ Warning: ‘fhomo’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/atom_energy.F:492:85: 492 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, & | ^ note: ‘fhomo’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_energy.mod' due to: atom_energy.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_energy.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod atom_operators.mod base_hooks.mod atom_fit.mod atom_electronic_structure.mod cp_output_handling.mod atom_sgp.mod kinds.mod atom_xc.mod cp_log_handling.mod atom_admm_methods.mod mathconstants.mod atom_output.mod atom_utils.mod atom_grb.mod periodic_table.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_basis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_basis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod atom_output.mod cp_output_handling.mod atom_utils.mod kinds.mod base_hooks.mod atom_fit.mod periodic_table.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_basis.F atom_basis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_basis.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_basis.mod' due to: atom_basis.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_basis.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod atom_output.mod cp_output_handling.mod atom_utils.mod kinds.mod base_hooks.mod atom_fit.mod periodic_table.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom_pseudo.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom_pseudo.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod atom_output.mod cp_output_handling.mod atom_operators.mod atom_utils.mod kinds.mod base_hooks.mod atom_fit.mod physcon.mod periodic_table.mod atom_electronic_structure.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom_pseudo.F atom_pseudo.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom_pseudo.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom_pseudo.mod' due to: atom_pseudo.o /build/cp2k-6PcaEs/cp2k-8.1/src/atom_pseudo.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod atom_types.mod input_constants.mod atom_output.mod cp_output_handling.mod atom_operators.mod atom_utils.mod kinds.mod base_hooks.mod atom_fit.mod physcon.mod periodic_table.mod atom_electronic_structure.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'atom.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/atom.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod periodic_table.mod input_constants.mod atom_energy.mod atom_basis.mod cp_output_handling.mod kinds.mod base_hooks.mod atom_pseudo.mod header.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/atom.F atom.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' atom.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_negf.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_negf.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod qs_density_mixing_types.mod input_constants.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_negf.F input_cp2k_negf.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_negf.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'bsse.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/bsse.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_types.mod cp2k_info.mod input_constants.mod base_hooks.mod cp_external_control.mod qs_energy.mod cp_output_handling.mod kinds.mod string_utilities.mod cp_log_handling.mod qs_environment.mod memory_utilities.mod cp_subsys_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/bsse.F bsse.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' bsse.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_env_types.mod' due to: negf_env_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_integr_cc.mod' due to: negf_integr_cc.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_integr_simpson.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_simpson.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod util.mod mathconstants.mod kinds.mod base_hooks.mod negf_integr_utils.mod cp_fm_basic_linalg.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_simpson.F negf_integr_simpson.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_integr_simpson.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_integr_simpson.mod' due to: negf_integr_simpson.o /build/cp2k-6PcaEs/cp2k-8.1/src/negf_integr_simpson.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod cp_fm_types.mod cp_fm_struct.mod cp_cfm_basic_linalg.mod util.mod mathconstants.mod kinds.mod base_hooks.mod negf_integr_utils.mod cp_fm_basic_linalg.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_green_cache.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_green_cache.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod base_hooks.mod util.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_green_cache.F negf_green_cache.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_green_cache.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_green_cache.mod' due to: negf_green_cache.o /build/cp2k-6PcaEs/cp2k-8.1/src/negf_green_cache.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_cfm_types.mod base_hooks.mod util.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_green_methods.mod' due to: negf_green_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'negf_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/negf_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 negf_subgroup_types.mod qs_rho_types.mod qs_subsys_types.mod cp_para_types.mod kpoint_types.mod negf_control_types.mod force_env_types.mod cp_control_types.mod global_types.mod cp_fm_types.mod qs_density_mixing_types.mod input_section_types.mod negf_env_types.mod qs_environment_types.mod cp_subsys_types.mod cp_cfm_types.mod cp_blacs_env.mod input_constants.mod qs_scf_methods.mod cp_dbcsr_operations.mod base_hooks.mod qs_ks_methods.mod qs_rho_methods.mod cp_fm_struct.mod negf_integr_cc.mod message_passing.mod cp_output_handling.mod negf_integr_simpson.mod qs_mixing_utils.mod bibliography.mod kinds.mod negf_green_cache.mod negf_matrix_utils.mod string_utilities.mod cp_fm_basic_linalg.mod cp_log_handling.mod machine.mod mathconstants.mod negf_green_methods.mod cp_cfm_basic_linalg.mod qs_gspace_mixing.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/negf_methods.F negf_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' negf_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/negf_methods.F:1409:80: 1409 | TYPE(cp_cfm_p_type), ALLOCATABLE, DIMENSION(:, :) :: gamma_contacts_group, & | ^ Warning: ‘gamma_contacts_group.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/negf_methods.F:1409:80: Warning: ‘gamma_contacts_group.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/negf_methods.F:1410:81: 1410 | gret_gamma_gadv_group | ^ Warning: ‘gret_gamma_gadv_group.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/negf_methods.F:1410:81: Warning: ‘gret_gamma_gadv_group.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/negf_methods.F:2789:84: 2789 | INTEGER :: handle, icontact, ipoint, ispin, & | ^ Warning: ‘ipoint’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/negf_methods.F:3000:73: 3000 | xnodes(ipoint) = CMPLX(energy_min, negf_control%eta, kind=dp) | ^ Warning: ‘ipoint’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/negf_methods.F:2946:84: 2946 | INTEGER :: handle, icontact, ipoint, ispin, & | ^ note: ‘ipoint’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_constraints.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_constraints.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_constraints.F input_cp2k_constraints.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_constraints.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'optimize_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cell_types.mod input_section_types.mod cp_parser_types.mod cp2k_info.mod f77_interface.mod input_constants.mod cp_parser_methods.mod base_hooks.mod cp_external_control.mod powell.mod message_passing.mod cp_output_handling.mod kinds.mod cp_log_handling.mod machine.mod environment.mod memory_utilities.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_input.F optimize_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:32 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' optimize_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/optimize_input.F:182:69: 182 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cell_traj, cell_traj_read, force_traj, & | ^ Warning: ‘cell_traj.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mscfg_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/mscfg_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod molecule_types.mod cell_types.mod force_env_types.mod global_types.mod input_section_types.mod mscfg_types.mod qs_environment_types.mod qs_mo_types.mod qs_energy_types.mod particle_list_types.mod cp_subsys_types.mod almo_scf_types.mod atomic_kind_types.mod input_constants.mod cp_dbcsr_operations.mod base_hooks.mod qs_energy.mod kinds.mod cp_log_handling.mod qs_environment.mod cp_subsys_methods.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/mscfg_methods.F mscfg_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mscfg_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'pilaenv_hack.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/pilaenv_hack.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/pilaenv_hack.F pilaenv_hack.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' pilaenv_hack.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'farming_types.mod' due to: farming_types.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'farming_methods.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/farming_methods.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod farming_types.mod cp_para_types.mod message_passing.mod cp_output_handling.mod base_hooks.mod cp_files.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/farming_methods.F farming_methods.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:41 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' farming_methods.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'ipi_driver.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/ipi_driver.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod force_env_types.mod virial_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod message_passing.mod bibliography.mod kinds.mod base_hooks.mod cp_external_control.mod force_env_methods.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/ipi_driver.F ipi_driver.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:42 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' ipi_driver.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/ipi_driver.F:209:26: 209 | SUBROUTINE readbuffer_d(psockfd, fdata) | ^ Warning: ‘readbuffer_d’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_eigensolver.mod' due to: qs_tddfpt_eigensolver.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'qs_tddfpt_module.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_module.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 qs_p_env_types.mod qs_rho_types.mod qs_tddfpt_types.mod qs_ks_types.mod qs_scf_types.mod input_section_types.mod qs_environment_types.mod qs_energy_types.mod input_constants.mod qs_tddfpt_eigensolver.mod base_hooks.mod qs_ks_methods.mod cp_output_handling.mod bibliography.mod cp_log_handling.mod xc_pot_saop.mod qs_tddfpt_utils.mod header.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/qs_tddfpt_module.F qs_tddfpt_module.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' qs_tddfpt_module.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_atom.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_atom.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod kinds.mod base_hooks.mod input_cp2k_xc.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_cp2k_atom.F input_cp2k_atom.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_atom.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_optimize_basis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/input_optimize_basis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/input_optimize_basis.F input_optimize_basis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_optimize_basis.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'sockets.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/sockets.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/sockets.c /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a' due to: lri_ks_methods.o kg_environment_types.o semi_empirical_int_utils.o grrm_utils.o input_cp2k_eip.o qs_diis_types.o qs_scf_initialization.o ewald_methods_tb.o hfx_pair_list_methods.o qs_fb_distribution_methods.o qs_scf_post_scf.o qs_core_energies.o manybody_tersoff.o mao_basis.o qmmm_gaussian_data.o qs_ot_types.o qs_sccs.o qs_update_s_mstruct.o qs_fb_atomic_halo_types.o qs_rho0_types.o preconditioner_apply.o fist_efield_methods.o qs_efield_local.o iterate_matrix.o core_ppnl.o dm_ls_scf_create.o constraint_vsite.o qs_rho_atom_types.o qs_rho_methods.o kpoint_io.o qs_loc_types.o qs_energy_init.o almo_scf_env_methods.o pao_potentials.o submatrix_types.o input_cp2k_free_energy.o cp_external_control.o qs_ks_apply_restraints.o xas_tdp_correction.o xas_tdp_utils.o pexsi_interface.o pair_potential_types.o qs_ks_qmmm_types.o semi_empirical_mpole_types.o qs_grid_atom.o qs_dftb_utils.o qs_efield_berry.o qs_linres_issc_utils.o mp2.o taper_types.o cp2k_debug.o qs_kpp1_env_types.o pao_ml_gaussprocess.o input_cp2k_ec.o qs_ot.o qs_electric_field_gradient.o negf_green_methods.o qs_tddfpt_eigensolver.o stm_images.o preconditioner.o qmmm_gpw_forces.o lri_optimize_ri_basis.o ec_efield_local.o force_env_utils.o qs_tddfpt2_densities.o farming_types.o maxwell_solver_interface.o xtb_parameters.o qs_environment_methods.o se_fock_matrix_dbg.o topology.o topology_gromos.o manybody_eam.o cp_realspace_grid_init.o qs_linres_module.o qs_gcp_utils.o semi_empirical_int_arrays.o xtb_types.o negf_alloc_types.o qs_o3c_methods.o rmsd.o hartree_local_types.o preconditioner_types.o semi_empirical_int_ana.o mixed_cdft_types.o qs_ks_atom.o input_cp2k_mm.o fp_types.o qs_ot_eigensolver.o auto_basis.o optimize_basis_utils.o ec_environment.o constraint_4x6.o hirshfeld_methods.o pao_ml_descriptor.o rt_propagation_types.o semi_empirical_int_num.o subcell_types.o qs_rho0_methods.o dm_ls_scf_curvy.o lri_compression.o fist_neighbor_lists.o bse.o qs_scf_block_davidson.o molden_utils.o atom_xc.o replica_methods.o optbas_opt_utils.o lri_integrals.o motion_utils.o nnp_model.o libint_wrapper.o input_optimize_input.o qs_dispersion_types.o cp_control_types.o mp2_optimize_ri_basis.o ewald_environment_types.o se_fock_matrix_exchange.o qs_kinetic.o pw_env_methods.o qs_scf_loop_utils.o ewald_pw_methods.o fist_neighbor_list_control.o atom_utils.o input_cp2k_global.o dft_plus_u.o molsym.o response_solver.o mao_types.o external_potential_methods.o rpa_kpoints.o virial_methods.o qs_fb_hash_table_types.o qs_dispersion_pairpot.o xas_tp_scf.o atom_optimization.o input_cp2k_colvar.o qmmmx_types.o cp_ddapc_types.o cell_methods.o qs_nl_hash_table_types.o qs_mo_methods.o qs_mo_io.o matrix_exp.o mixed_cdft_utils.o almo_scf_lbfgs_types.o qs_subsys_methods.o ewald_pw_types.o semi_empirical_int_debug.o qs_integrate_potential.o semi_empirical_parameters.o input_cp2k_atprop.o negf_env_types.o pair_potential.o transport_env_types.o library_tests.o optbas_fenv_manipulation.o qmmm_per_elpot.o xas_tdp_atom.o cp_eri_mme_interface.o qs_fb_env_methods.o xas_restart.o qs_linres_types.o input_cp2k_dft.o replica_types.o mp2_ri_grad.o cryssym.o qs_linres_nmr_epr_common_utils.o almo_scf_diis_types.o pwdft_environment.o pao_param.o splines_methods.o metadynamics_types.o qs_o3c_types.o simpar_types.o qs_diis.o qs_ks_types.o qs_gspace_mixing.o admm_types.o block_p_types.o topology_generate_util.o spglib_f08.o qmmm_gpw_energy.o qmmm_gaussian_types.o mao_optimizer.o negf_control_types.o qs_force_types.o qmmm_gaussian_input.o qmmm_types_low.o mm_collocate_potential.o optimize_basis.o molecular_states.o negf_integr_cc.o fist_force.o force_fields_ext.o atom.o minbas_methods.o almo_scf_qs.o manybody_gal.o pao_input.o input_constants.o mm_mapping_library.o pao_ml_neuralnet.o mp2_ri_gpw.o atom_upf.o qs_ks_utils.o qs_gapw_densities.o qs_ot_scf.o et_coupling.o force_fields_input.o se_fock_matrix_coulomb.o input_cp2k_negf.o qs_fb_com_tasks_types.o kg_correction.o pme.o input_cp2k_pwdft.o qs_integrate_potential_product.o qs_overlap.o hfx_communication.o se_core_core.o qs_dftb_coulomb.o topology_connectivity_util.o bsse.o qs_density_mixing_types.o kpoint_coulomb_2c.o qmmm_image_charge.o dm_ls_chebyshev.o qs_linres_current_utils.o qs_localization_methods.o optimize_embedding_potential.o beta_gamma_psi.o topology_coordinate_util.o semi_empirical_int3_utils.o qs_tddfpt2_operators.o input_cp2k_subsys.o input_restart_force_eval.o qs_p_env_types.o rpa_rse.o lri_optimize_ri_basis_types.o qs_condnum.o qs_linres_nmr_shift.o input_cp2k_tb.o force_env_methods.o atom_admm_methods.o input_restart_rng.o input_cp2k_hfx.o kg_environment.o qs_tddfpt2_eigensolver.o semi_empirical_expns3_methods.o pao_io.o lri_environment_methods.o extended_system_types.o environment.o qs_active_space_types.o task_list_methods.o qs_fb_input.o negf_methods.o submatrix_dissection.o lri_environment_init.o qs_dos.o qs_period_efield_types.o shg_integrals_test.o qs_ks_methods.o distribution_2d_types.o wannier_states_types.o qs_collocate_density.o qs_fb_trial_fns_types.o qs_dispersion_utils.o pwdft_environment_types.o qs_dftb_types.o qs_vxc.o qs_outer_scf.o qs_scf_post_se.o eip_environment_types.o atom_electronic_structure.o qs_wf_history_methods.o mode_selective.o mp2_ri_grad_util.o mp2_ri_2c.o topology_xtl.o mixed_energy_types.o ewalds_multipole.o qs_loc_states.o qs_integral_utils.o qs_energy_window.o mp2_gpw.o efield_tb_methods.o qs_mom_types.o negf_vectors.o constraint_fxd.o qs_linres_epr_utils.o qs_tddfpt2_methods.o qs_dftb3_methods.o pair_potential_coulomb.o rel_control_types.o surface_dipole.o qs_loc_utils.o topology_pdb.o input_cp2k_constraints.o pao_types.o fist_environment_types.o hfx_derivatives.o rpa_im_time.o constraint_clv.o qs_core_hamiltonian.o input_cp2k_kpoints.o hfx_compression_methods.o qs_external_potential.o domain_submatrix_types.o topology_psf.o input_cp2k_field.o atom_sgp.o pair_potential_util.o mp2_integrals.o qs_loc_dipole.o qs_resp.o mulliken.o constraint_util.o voronoi_interface.o cp_dbcsr_cp2k_link.o exclusion_types.o negf_atom_map.o input_cp2k_force_eval.o force_fields_all.o negf_integr_simpson.o cp_gemm_interface.o input_cp2k_xc.o fermi_utils.o pao_linpot_full.o constraint.o constraint_3x3.o fist_main.o input_cp2k_properties_dft.o qs_tddfpt2_properties.o rpa_communication.o qmmmx_update.o qs_cdft_scf_utils.o qmmmx_util.o optimize_input.o qs_gcp_method.o ewalds.o fist_pol_scf.o qs_commutators.o core_ppl.o qs_scf_wfn_mix.o hfx_admm_utils.o topology_cif.o mp2_gpw_method.o cp_ddapc_methods.o integration_grid_types.o mao_wfn_analysis.o qs_gamma2kp.o atom_basis.o negf_matrix_utils.o qs_environment_types.o dkh_main.o scf_control_types.o qs_moments.o mp2_ri_libint.o domain_submatrix_methods.o qs_cdft_types.o qs_cdft_methods.o ct_types.o qs_scf_methods.o embed_environment.o qs_mixing_utils.o colvar_methods.o xas_env_types.o outer_scf_control_types.o nnp_acsf.o xas_tdp_kernel.o eip_environment.o embed_main.o negf_integr_utils.o input_cp2k_mixed.o molecular_dipoles.o basis_set_output.o qs_rho_types.o kpoint_transitional.o qs_fb_env_types.o qs_scf_post_tb.o cp_realspace_grid_cube.o qs_gcp_types.o admm_utils.o lri_forces.o rpa_gw_kpoints.o gle_system_types.o semi_empirical_mpole_methods.o cp_symmetry.o qs_fb_atomic_matrix_methods.o pao_param_linpot.o input_cp2k_transport.o kg_tnadd_mat.o se_fock_matrix_integrals.o xas_tdp_types.o manybody_potential.o fist_energy_types.o qs_mo_types.o qs_cdft_utils.o qmmm_init.o semi_empirical_integrals.o cp_dbcsr_diag.o task_list_types.o qs_linres_epr_nablavks.o cp_control_utils.o mdctrl_types.o kpoint_types.o qs_linres_methods.o ri_environment_methods.o qs_elf_methods.o rpa_util.o force_env_types.o qs_linres_nmr_utils.o xas_tdp_integrals.o hfx_helpers.o input_cp2k_ls.o qs_mom_methods.o qs_environment.o qs_vxc_atom.o qs_ot_minimizer.o qs_band_structure.o mp2_grids.o rt_propagation_forces.o qs_active_space_methods.o mp2_eri.o atom_kind_orbitals.o qmmm_tb_coulomb.o sirius_interface.o qs_loc_molecules.o qs_linres_epr_ownutils.o eip_silicon.o optimize_dmfet_potential.o qs_force.o cp_ddapc_forces.o semi_empirical_par_utils.o semi_empirical_utils.o energy_corrections.o topology_util.o preconditioner_makes.o qs_charge_mixing.o admm_dm_types.o qs_rho_atom_methods.o qmmm_force.o cp_ddapc.o negf_subgroup_types.o qs_linres_polar_utils.o libint_2c_3c.o semi_empirical_store_int_types.o xas_methods.o hfx_types.o pao_param_fock.o xas_control.o dm_ls_scf.o qmmm_se_energy.o population_analyses.o mixed_main.o qmmm_elpot.o qs_oce_types.o manybody_siepmann.o topology_types.o qs_scf_types.o f77_interface.o hfx_ri.o qs_block_davidson_types.o mscfg_methods.o mp2_cphf.o colvar_utils.o pilaenv_hack.o almo_scf.o qs_neighbor_list_types.o hirshfeld_types.o pao_optimizer.o fp_methods.o qs_linres_current.o ec_env_types.o qs_tddfpt2_utils.o qmmm_gaussian_init.o force_fields.o topology_cp2k.o qmmm_tb_methods.o efield_utils.o input_cp2k_restarts_util.o spme.o qs_wf_history_types.o global_types.o qs_kpp1_env_methods.o qs_scf_output.o qs_scf_lanczos.o farming_methods.o topology_amber.o qs_linres_atom_current.o mp2_setup.o pao_param_gth.o scine_utils.o qs_epr_hyp.o semi_empirical_int_gks.o optimize_basis_types.o semi_empirical_types.o qs_neighbor_lists.o qs_tddfpt_utils.o qs_tddfpt2_stda_utils.o nnp_environment.o qs_cdft_opt_types.o mol_force.o wannier90.o fist_efield_types.o input_cp2k_nnp.o cp_dbcsr_cholesky.o al_system_types.o xtb_matrices.o qs_matrix_pools.o fist_neighbor_list_types.o kpoint_methods.o atom_operators.o core_ae.o qs_oce_methods.o mixed_environment.o ls_matrix_exp.o qs_ks_qmmm_methods.o atomic_charges.o cp2k_info.o xtb_coulomb.o ipi_driver.o xc_adiabatic_utils.o debug_os_integrals.o qs_mo_occupation.o qs_tensors_types.o qs_elec_field.o moments_utils.o hfx_load_balance_methods.o input_cp2k_poisson.o restraint.o transport.o cp_ddapc_util.o qs_operators_ao.o qs_tddfpt2_fhxc.o s_square_methods.o qs_tddfpt2_stda_types.o almo_scf_types.o qs_fb_matrix_data_types.o qmmm_topology_util.o qs_hash_table_functions.o qs_tddfpt_types.o rtp_admm_methods.o dm_ls_scf_qs.o qs_initial_guess.o qs_kind_types.o distribution_methods.o csvr_system_types.o rpa_main.o rpa_gw.o qs_rho0_ggrid.o linesearch.o input_cp2k_read.o metadynamics_utils.o mao_methods.o atoms_input.o qmmmx_force.o atom_output.o negf_green_cache.o qs_wannier90.o qmmm_links_methods.o qs_local_properties.o input_cp2k_distribution.o input_cp2k_motion_print.o paw_proj_set_types.o qmmm_se_forces.o admm_methods.o commutator_rpnl.o qs_spin_orbit.o mixed_cdft_methods.o rpa_gw_im_time_util.o qs_tensors.o hfx_libint_interface.o almo_scf_optimizer.o qs_linres_op.o cp_subsys_methods.o qs_scf_post_gpw.o xray_diffraction.o ewald_spline_util.o qs_tddfpt2_subgroups.o almo_scf_methods.o header.o hfx_energy_potential.o cp_dbcsr_operations.o mixed_environment_utils.o dm_ls_scf_types.o input_cp2k_almo.o input_cp2k_rsgrid.o xas_tdp_methods.o semi_empirical_expns3_types.o qs_energy_matrix_w.o qmmm_create.o csvr_system_utils.o qs_harmonics_atom.o qmmm_pw_grid.o qs_charges_types.o qs_tddfpt_module.o manybody_quip.o minbas_wfn_analysis.o qs_energy_utils.o rpa_axk.o et_coupling_proj.o pao_param_exp.o graphcon.o molecular_moments.o mp2_laplace.o nnp_environment_types.o atom_types.o kg_vertex_coloring_methods.o input_cp2k_embed.o group_dist_types.o input_cp2k_mp2.o fist_intra_force.o pw_poisson_read_input.o pao_methods.o fist_nonbond_force.o pexsi_methods.o qs_pdos.o hfx_screening_methods.o qs_fermi_contact.o nnp_force.o input_cp2k_thermostats.o qs_interactions.o qs_subsys_types.o free_energy_types.o wannier_states.o atom_energy.o particle_methods.o localization_tb.o pexsi_types.o qs_local_rho_types.o uff_vdw_radii_table.o input_cp2k_loc.o pme_tools.o rpa_gw_ic.o qs_scf_csr_write.o qs_tddfpt2_restart.o qs_dftb_matrices.o se_fock_matrix.o mp2_direct_method.o input_cp2k_binary_restarts.o mscfg_types.o splines_types.o xtb_ehess.o qmmmx_create.o qs_energy_types.o generic_os_integrals.o fist_environment.o et_coupling_types.o topology_constraint_util.o qs_tddfpt2_types.o qs_integrate_potential_single.o input_cp2k_qmmm.o statistical_methods.o topology_multiple_unit_cell.o atom_grb.o mixed_environment_types.o se_core_matrix.o qs_loc_methods.o metadynamics.o qs_p_env_methods.o hfx_pw_methods.o qs_dispersion_nonloc.o qs_basis_gradient.o input_cp2k_external.o commutator_rkinetic.o preconditioner_solvers.o input_cp2k_resp.o qmmm_types.o xc_write_output.o sap_kind_types.o mp2_eri_gpw.o dm_ls_scf_methods.o ct_methods.o force_fields_util.o cp_dbcsr_output.o qmmm_util.o pao_linpot_rotinv.o topology_xyz.o qs_scf_diagonalization.o embed_types.o input_cp2k_check.o atom_fit.o force_field_types.o atom_pseudo.o qs_external_density.o pao_ml.o qs_chargemol.o admm_dm_methods.o pao_main.o mp2_types.o qs_energy.o fist_nonbond_env_types.o qs_fb_filter_matrix_methods.o input_cp2k_atom.o qs_fb_buffer_types.o qs_scf.o xc_adiabatic_methods.o qs_dftb_parameters.o xc_pot_saop.o hartree_local_methods.o lri_environment_types.o qs_dftb_dispersion.o input_optimize_basis.o topology_input.o qmmm_ff_fist.o input_cp2k_neb.o sockets.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a lri_ks_methods.o kg_environment_types.o semi_empirical_int_utils.o grrm_utils.o input_cp2k_eip.o qs_diis_types.o qs_scf_initialization.o ewald_methods_tb.o hfx_pair_list_methods.o qs_fb_distribution_methods.o qs_scf_post_scf.o qs_core_energies.o manybody_tersoff.o mao_basis.o qmmm_gaussian_data.o qs_ot_types.o qs_sccs.o qs_update_s_mstruct.o qs_fb_atomic_halo_types.o qs_rho0_types.o preconditioner_apply.o fist_efield_methods.o qs_efield_local.o iterate_matrix.o core_ppnl.o dm_ls_scf_create.o constraint_vsite.o qs_rho_atom_types.o qs_rho_methods.o kpoint_io.o qs_loc_types.o qs_energy_init.o almo_scf_env_methods.o pao_potentials.o submatrix_types.o input_cp2k_free_energy.o cp_external_control.o qs_ks_apply_restraints.o xas_tdp_correction.o xas_tdp_utils.o pexsi_interface.o pair_potential_types.o qs_ks_qmmm_types.o semi_empirical_mpole_types.o qs_grid_atom.o qs_dftb_utils.o qs_efield_berry.o qs_linres_issc_utils.o mp2.o taper_types.o cp2k_debug.o qs_kpp1_env_types.o pao_ml_gaussprocess.o input_cp2k_ec.o qs_ot.o qs_electric_field_gradient.o negf_green_methods.o qs_tddfpt_eigensolver.o stm_images.o preconditioner.o qmmm_gpw_forces.o lri_optimize_ri_basis.o ec_efield_local.o force_env_utils.o qs_tddfpt2_densities.o farming_types.o maxwell_solver_interface.o xtb_parameters.o qs_environment_methods.o se_fock_matrix_dbg.o topology.o topology_gromos.o manybody_eam.o cp_realspace_grid_init.o qs_linres_module.o qs_gcp_utils.o semi_empirical_int_arrays.o xtb_types.o negf_alloc_types.o qs_o3c_methods.o rmsd.o hartree_local_types.o preconditioner_types.o semi_empirical_int_ana.o mixed_cdft_types.o qs_ks_atom.o input_cp2k_mm.o fp_types.o qs_ot_eigensolver.o auto_basis.o optimize_basis_utils.o ec_environment.o constraint_4x6.o hirshfeld_methods.o pao_ml_descriptor.o rt_propagation_types.o semi_empirical_int_num.o subcell_types.o qs_rho0_methods.o dm_ls_scf_curvy.o lri_compression.o fist_neighbor_lists.o bse.o qs_scf_block_davidson.o molden_utils.o atom_xc.o replica_methods.o optbas_opt_utils.o lri_integrals.o motion_utils.o nnp_model.o libint_wrapper.o input_optimize_input.o qs_dispersion_types.o cp_control_types.o mp2_optimize_ri_basis.o ewald_environment_types.o se_fock_matrix_exchange.o qs_kinetic.o pw_env_methods.o qs_scf_loop_utils.o ewald_pw_methods.o fist_neighbor_list_control.o atom_utils.o input_cp2k_global.o dft_plus_u.o molsym.o response_solver.o mao_types.o external_potential_methods.o rpa_kpoints.o virial_methods.o qs_fb_hash_table_types.o qs_dispersion_pairpot.o xas_tp_scf.o atom_optimization.o input_cp2k_colvar.o qmmmx_types.o cp_ddapc_types.o cell_methods.o qs_nl_hash_table_types.o qs_mo_methods.o qs_mo_io.o matrix_exp.o mixed_cdft_utils.o almo_scf_lbfgs_types.o qs_subsys_methods.o ewald_pw_types.o semi_empirical_int_debug.o qs_integrate_potential.o semi_empirical_parameters.o input_cp2k_atprop.o negf_env_types.o pair_potential.o transport_env_types.o library_tests.o optbas_fenv_manipulation.o qmmm_per_elpot.o xas_tdp_atom.o cp_eri_mme_interface.o qs_fb_env_methods.o xas_restart.o qs_linres_types.o input_cp2k_dft.o replica_types.o mp2_ri_grad.o cryssym.o qs_linres_nmr_epr_common_utils.o almo_scf_diis_types.o pwdft_environment.o pao_param.o splines_methods.o metadynamics_types.o qs_o3c_types.o simpar_types.o qs_diis.o qs_ks_types.o qs_gspace_mixing.o admm_types.o block_p_types.o topology_generate_util.o spglib_f08.o qmmm_gpw_energy.o qmmm_gaussian_types.o mao_optimizer.o negf_control_types.o qs_force_types.o qmmm_gaussian_input.o qmmm_types_low.o mm_collocate_potential.o optimize_basis.o molecular_states.o negf_integr_cc.o fist_force.o force_fields_ext.o atom.o minbas_methods.o almo_scf_qs.o manybody_gal.o pao_input.o input_constants.o mm_mapping_library.o pao_ml_neuralnet.o mp2_ri_gpw.o atom_upf.o qs_ks_utils.o qs_gapw_densities.o qs_ot_scf.o et_coupling.o force_fields_input.o se_fock_matrix_coulomb.o input_cp2k_negf.o qs_fb_com_tasks_types.o kg_correction.o pme.o input_cp2k_pwdft.o qs_integrate_potential_product.o qs_overlap.o hfx_communication.o se_core_core.o qs_dftb_coulomb.o topology_connectivity_util.o bsse.o qs_density_mixing_types.o kpoint_coulomb_2c.o qmmm_image_charge.o dm_ls_chebyshev.o qs_linres_current_utils.o qs_localization_methods.o optimize_embedding_potential.o beta_gamma_psi.o topology_coordinate_util.o semi_empirical_int3_utils.o qs_tddfpt2_operators.o input_cp2k_subsys.o input_restart_force_eval.o qs_p_env_types.o rpa_rse.o lri_optimize_ri_basis_types.o qs_condnum.o qs_linres_nmr_shift.o input_cp2k_tb.o force_env_methods.o atom_admm_methods.o input_restart_rng.o input_cp2k_hfx.o kg_environment.o qs_tddfpt2_eigensolver.o semi_empirical_expns3_methods.o pao_io.o lri_environment_methods.o extended_system_types.o environment.o qs_active_space_types.o task_list_methods.o qs_fb_input.o negf_methods.o submatrix_dissection.o lri_environment_init.o qs_dos.o qs_period_efield_types.o shg_integrals_test.o qs_ks_methods.o distribution_2d_types.o wannier_states_types.o qs_collocate_density.o qs_fb_trial_fns_types.o qs_dispersion_utils.o pwdft_environment_types.o qs_dftb_types.o qs_vxc.o qs_outer_scf.o qs_scf_post_se.o eip_environment_types.o atom_electronic_structure.o qs_wf_history_methods.o mode_selective.o mp2_ri_grad_util.o mp2_ri_2c.o topology_xtl.o mixed_energy_types.o ewalds_multipole.o qs_loc_states.o qs_integral_utils.o qs_energy_window.o mp2_gpw.o efield_tb_methods.o qs_mom_types.o negf_vectors.o constraint_fxd.o qs_linres_epr_utils.o qs_tddfpt2_methods.o qs_dftb3_methods.o pair_potential_coulomb.o rel_control_types.o surface_dipole.o qs_loc_utils.o topology_pdb.o input_cp2k_constraints.o pao_types.o fist_environment_types.o hfx_derivatives.o rpa_im_time.o constraint_clv.o qs_core_hamiltonian.o input_cp2k_kpoints.o hfx_compression_methods.o qs_external_potential.o domain_submatrix_types.o topology_psf.o input_cp2k_field.o atom_sgp.o pair_potential_util.o mp2_integrals.o qs_loc_dipole.o qs_resp.o mulliken.o constraint_util.o voronoi_interface.o cp_dbcsr_cp2k_link.o exclusion_types.o negf_atom_map.o input_cp2k_force_eval.o force_fields_all.o negf_integr_simpson.o cp_gemm_interface.o input_cp2k_xc.o fermi_utils.o pao_linpot_full.o constraint.o constraint_3x3.o fist_main.o input_cp2k_properties_dft.o qs_tddfpt2_properties.o rpa_communication.o qmmmx_update.o qs_cdft_scf_utils.o qmmmx_util.o optimize_input.o qs_gcp_method.o ewalds.o fist_pol_scf.o qs_commutators.o core_ppl.o qs_scf_wfn_mix.o hfx_admm_utils.o topology_cif.o mp2_gpw_method.o cp_ddapc_methods.o integration_grid_types.o mao_wfn_analysis.o qs_gamma2kp.o atom_basis.o negf_matrix_utils.o qs_environment_types.o dkh_main.o scf_control_types.o qs_moments.o mp2_ri_libint.o domain_submatrix_methods.o qs_cdft_types.o qs_cdft_methods.o ct_types.o qs_scf_methods.o embed_environment.o qs_mixing_utils.o colvar_methods.o xas_env_types.o outer_scf_control_types.o nnp_acsf.o xas_tdp_kernel.o eip_environment.o embed_main.o negf_integr_utils.o input_cp2k_mixed.o molecular_dipoles.o basis_set_output.o qs_rho_types.o kpoint_transitional.o qs_fb_env_types.o qs_scf_post_tb.o cp_realspace_grid_cube.o qs_gcp_types.o admm_utils.o lri_forces.o rpa_gw_kpoints.o gle_system_types.o semi_empirical_mpole_methods.o cp_symmetry.o qs_fb_atomic_matrix_methods.o pao_param_linpot.o input_cp2k_transport.o kg_tnadd_mat.o se_fock_matrix_integrals.o xas_tdp_types.o manybody_potential.o fist_energy_types.o qs_mo_types.o qs_cdft_utils.o qmmm_init.o semi_empirical_integrals.o cp_dbcsr_diag.o task_list_types.o qs_linres_epr_nablavks.o cp_control_utils.o mdctrl_types.o kpoint_types.o qs_linres_methods.o ri_environment_methods.o qs_elf_methods.o rpa_util.o force_env_types.o qs_linres_nmr_utils.o xas_tdp_integrals.o hfx_helpers.o input_cp2k_ls.o qs_mom_methods.o qs_environment.o qs_vxc_atom.o qs_ot_minimizer.o qs_band_structure.o mp2_grids.o rt_propagation_forces.o qs_active_space_methods.o mp2_eri.o atom_kind_orbitals.o qmmm_tb_coulomb.o sirius_interface.o qs_loc_molecules.o qs_linres_epr_ownutils.o eip_silicon.o optimize_dmfet_potential.o qs_force.o cp_ddapc_forces.o semi_empirical_par_utils.o semi_empirical_utils.o energy_corrections.o topology_util.o preconditioner_makes.o qs_charge_mixing.o admm_dm_types.o qs_rho_atom_methods.o qmmm_force.o cp_ddapc.o negf_subgroup_types.o qs_linres_polar_utils.o libint_2c_3c.o semi_empirical_store_int_types.o xas_methods.o hfx_types.o pao_param_fock.o xas_control.o dm_ls_scf.o qmmm_se_energy.o population_analyses.o mixed_main.o qmmm_elpot.o qs_oce_types.o manybody_siepmann.o topology_types.o qs_scf_types.o f77_interface.o hfx_ri.o qs_block_davidson_types.o mscfg_methods.o mp2_cphf.o colvar_utils.o pilaenv_hack.o almo_scf.o qs_neighbor_list_types.o hirshfeld_types.o pao_optimizer.o fp_methods.o qs_linres_current.o ec_env_types.o qs_tddfpt2_utils.o qmmm_gaussian_init.o force_fields.o topology_cp2k.o qmmm_tb_methods.o efield_utils.o input_cp2k_restarts_util.o spme.o qs_wf_history_types.o global_types.o qs_kpp1_env_methods.o qs_scf_output.o qs_scf_lanczos.o farming_methods.o topology_amber.o qs_linres_atom_current.o mp2_setup.o pao_param_gth.o scine_utils.o qs_epr_hyp.o semi_empirical_int_gks.o optimize_basis_types.o semi_empirical_types.o qs_neighbor_lists.o qs_tddfpt_utils.o qs_tddfpt2_stda_utils.o nnp_environment.o qs_cdft_opt_types.o mol_force.o wannier90.o fist_efield_types.o input_cp2k_nnp.o cp_dbcsr_cholesky.o al_system_types.o xtb_matrices.o qs_matrix_pools.o fist_neighbor_list_types.o kpoint_methods.o atom_operators.o core_ae.o qs_oce_methods.o mixed_environment.o ls_matrix_exp.o qs_ks_qmmm_methods.o atomic_charges.o cp2k_info.o xtb_coulomb.o ipi_driver.o xc_adiabatic_utils.o debug_os_integrals.o qs_mo_occupation.o qs_tensors_types.o qs_elec_field.o moments_utils.o hfx_load_balance_methods.o input_cp2k_poisson.o restraint.o transport.o cp_ddapc_util.o qs_operators_ao.o qs_tddfpt2_fhxc.o s_square_methods.o qs_tddfpt2_stda_types.o almo_scf_types.o qs_fb_matrix_data_types.o qmmm_topology_util.o qs_hash_table_functions.o qs_tddfpt_types.o rtp_admm_methods.o dm_ls_scf_qs.o qs_initial_guess.o qs_kind_types.o distribution_methods.o csvr_system_types.o rpa_main.o rpa_gw.o qs_rho0_ggrid.o linesearch.o input_cp2k_read.o metadynamics_utils.o mao_methods.o atoms_input.o qmmmx_force.o atom_output.o negf_green_cache.o qs_wannier90.o qmmm_links_methods.o qs_local_properties.o input_cp2k_distribution.o input_cp2k_motion_print.o paw_proj_set_types.o qmmm_se_forces.o admm_methods.o commutator_rpnl.o qs_spin_orbit.o mixed_cdft_methods.o rpa_gw_im_time_util.o qs_tensors.o hfx_libint_interface.o almo_scf_optimizer.o qs_linres_op.o cp_subsys_methods.o qs_scf_post_gpw.o xray_diffraction.o ewald_spline_util.o qs_tddfpt2_subgroups.o almo_scf_methods.o header.o hfx_energy_potential.o cp_dbcsr_operations.o mixed_environment_utils.o dm_ls_scf_types.o input_cp2k_almo.o input_cp2k_rsgrid.o xas_tdp_methods.o semi_empirical_expns3_types.o qs_energy_matrix_w.o qmmm_create.o csvr_system_utils.o qs_harmonics_atom.o qmmm_pw_grid.o qs_charges_types.o qs_tddfpt_module.o manybody_quip.o minbas_wfn_analysis.o qs_energy_utils.o rpa_axk.o et_coupling_proj.o pao_param_exp.o graphcon.o molecular_moments.o mp2_laplace.o nnp_environment_types.o atom_types.o kg_vertex_coloring_methods.o input_cp2k_embed.o group_dist_types.o input_cp2k_mp2.o fist_intra_force.o pw_poisson_read_input.o pao_methods.o fist_nonbond_force.o pexsi_methods.o qs_pdos.o hfx_screening_methods.o qs_fermi_contact.o nnp_force.o input_cp2k_thermostats.o qs_interactions.o qs_subsys_types.o free_energy_types.o wannier_states.o atom_energy.o particle_methods.o localization_tb.o pexsi_types.o qs_local_rho_types.o uff_vdw_radii_table.o input_cp2k_loc.o pme_tools.o rpa_gw_ic.o qs_scf_csr_write.o qs_tddfpt2_restart.o qs_dftb_matrices.o se_fock_matrix.o mp2_direct_method.o input_cp2k_binary_restarts.o mscfg_types.o splines_types.o xtb_ehess.o qmmmx_create.o qs_energy_types.o generic_os_integrals.o fist_environment.o et_coupling_types.o topology_constraint_util.o qs_tddfpt2_types.o qs_integrate_potential_single.o input_cp2k_qmmm.o statistical_methods.o topology_multiple_unit_cell.o atom_grb.o mixed_environment_types.o se_core_matrix.o qs_loc_methods.o metadynamics.o qs_p_env_methods.o hfx_pw_methods.o qs_dispersion_nonloc.o qs_basis_gradient.o input_cp2k_external.o commutator_rkinetic.o preconditioner_solvers.o input_cp2k_resp.o qmmm_types.o xc_write_output.o sap_kind_types.o mp2_eri_gpw.o dm_ls_scf_methods.o ct_methods.o force_fields_util.o cp_dbcsr_output.o qmmm_util.o pao_linpot_rotinv.o topology_xyz.o qs_scf_diagonalization.o embed_types.o input_cp2k_check.o atom_fit.o force_field_types.o atom_pseudo.o qs_external_density.o pao_ml.o qs_chargemol.o admm_dm_methods.o pao_main.o mp2_types.o qs_energy.o fist_nonbond_env_types.o qs_fb_filter_matrix_methods.o input_cp2k_atom.o qs_fb_buffer_types.o qs_scf.o xc_adiabatic_methods.o qs_dftb_parameters.o xc_pot_saop.o hartree_local_methods.o lri_environment_types.o qs_dftb_dispersion.o input_optimize_basis.o topology_input.o qmmm_ff_fist.o input_cp2k_neb.o sockets.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a' due to: arnoldi_data_methods.o arnoldi_api.o arnoldi_geev.o arnoldi_methods.o arnoldi_types.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a arnoldi_data_methods.o arnoldi_api.o arnoldi_geev.o arnoldi_methods.o arnoldi_types.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a' due to: dbcsr_vector.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a dbcsr_vector.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a' due to: generic_shg_integrals_init.o s_contract_shg.o constants_operator.o generic_shg_integrals.o construct_shg.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a generic_shg_integrals_init.o s_contract_shg.o constants_operator.o generic_shg_integrals.o construct_shg.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a' due to: eri_mme_integrate.o eri_mme_types.o eri_mme_error_control.o eri_mme_test.o eri_mme_gaussian.o eri_mme_util.o eri_mme_lattice_summation.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a eri_mme_integrate.o eri_mme_types.o eri_mme_error_control.o eri_mme_test.o eri_mme_gaussian.o eri_mme_util.o eri_mme_lattice_summation.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a' due to: minimax_exp_k15.o minimax_rpa.o minimax_exp.o minimax_exp_gw.o minimax_exp_k53.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a minimax_exp_k15.o minimax_rpa.o minimax_exp.o minimax_exp_gw.o minimax_exp_k53.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a' due to: hfx_contraction_methods.o hfx_compression_core_methods.o hfx_contract_block.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a hfx_contraction_methods.o hfx_compression_core_methods.o hfx_contract_block.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a' due to: xc_xbr_pbe_lda_hole_t_c_lr.o xc_derivative_types.o xc_tpss.o xc_lyp_adiabatic.o xc_rho_cflags_types.o xc_optx.o xc_perdew_wang.o xc_xalpha.o xc_b97.o xc_cs1.o xc_xbecke88_lr_adiabatic.o xc_derivatives.o xc_libxc_wrap.o xc_xbecke88.o xc_xwpbe.o xc_sr_lda.o xc_atom.o xc_perdew86.o xc_rho_set_types.o xc_xbecke_roussel.o xc_vwn.o xc_exchange_gga.o xc_pade.o xc_lyp.o xc_libxc.o xc_pbe.o xc_thomas_fermi.o xc_xlda_hole_t_c_lr.o xc_xbeef.o xc_hcth.o xc_functionals_utilities.o cp_linked_list_xc_deriv.o xc.o xc_xpbe_hole_t_c_lr.o xc_ke_gga.o xc_derivative_set_types.o xc_tfw.o xc_xbecke88_long_range.o xc_derivative_desc.o xc_perdew_zunger.o xc_input_constants.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a xc_xbr_pbe_lda_hole_t_c_lr.o xc_derivative_types.o xc_tpss.o xc_lyp_adiabatic.o xc_rho_cflags_types.o xc_optx.o xc_perdew_wang.o xc_xalpha.o xc_b97.o xc_cs1.o xc_xbecke88_lr_adiabatic.o xc_derivatives.o xc_libxc_wrap.o xc_xbecke88.o xc_xwpbe.o xc_sr_lda.o xc_atom.o xc_perdew86.o xc_rho_set_types.o xc_xbecke_roussel.o xc_vwn.o xc_exchange_gga.o xc_pade.o xc_lyp.o xc_libxc.o xc_pbe.o xc_thomas_fermi.o xc_xlda_hole_t_c_lr.o xc_xbeef.o xc_hcth.o xc_functionals_utilities.o cp_linked_list_xc_deriv.o xc.o xc_xpbe_hole_t_c_lr.o xc_ke_gga.o xc_derivative_set_types.o xc_tfw.o xc_xbecke88_long_range.o xc_derivative_desc.o xc_perdew_zunger.o xc_input_constants.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a' due to: pw_env_types.o cp_spline_utils.o rs_pw_interface.o gaussian_gridlevels.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a pw_env_types.o cp_spline_utils.o rs_pw_interface.o gaussian_gridlevels.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:127: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/dumpdcd.psmp' due to: dumpdcd.o /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:55 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/dumpdcd.psmp dumpdcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'xyz2dcd.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F xyz2dcd.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:56 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' xyz2dcd.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:602:28: 602 | SUBROUTINE build_h_matrix(a, b, c, alpha, beta, gamma, h) | ^ Warning: ‘build_h_matrix’ defined but not used [-Wunused-function] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:495:114: 495 | WRITE (UNIT=output_unit, FMT="(A5,3(1X,F14.6))") ADJUSTL(atomic_label(iatom)), s_pbc(iatom, 1:3) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&s_pbc].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:58:80: 58 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r, r_pbc, r0, s, s_pbc | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&s_pbc].dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:491:110: 491 | WRITE (UNIT=output_unit, FMT="(A5,3(1X,F14.6))") ADJUSTL(atomic_label(iatom)), s(iatom, 1:3) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&s].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:58:66: 58 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r, r_pbc, r0, s, s_pbc | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&r_pbc].dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:809:62: 809 | r_pbc(:, :) = MATMUL(s_pbc(:, :), TRANSPOSE(h(:, :))) | ^ Warning: ‘MEM[(struct array02_real(kind=8) &)&r_pbc].dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:58:66: 58 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r, r_pbc, r0, s, s_pbc | ^ note: ‘MEM[(struct array02_real(kind=8) &)&r_pbc].dim[0].ubound’ was declared here /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:58:66: Warning: ‘r_pbc.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:485:81: 485 | (r(iatom, 3) - r0(iatom, 3))**2) | ^ Warning: ‘r0.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:485:81: Warning: ‘r0.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/xyz2dcd.F:456:40: 456 | atomic_displacement(:) = 0.0_dp | ^ Warning: ‘atomic_displacement.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:131: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/xyz2dcd.psmp' due to: xyz2dcd.o /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/xyz2dcd.psmp xyz2dcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_vib.mod' due to: input_cp2k_vib.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_optimize_basis.mod' due to: input_optimize_basis.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'glbopt_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_input.F glbopt_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:32:59 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'glbopt_input.mod' due to: glbopt_input.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_input.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod bibliography.mod kinds.mod base_hooks.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'swarm_input.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_input.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod base_hooks.mod glbopt_input.mod string_utilities.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_input.F swarm_input.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm_input.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'swarm_input.mod' due to: swarm_input.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_input.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_constants.mod cp_output_handling.mod base_hooks.mod glbopt_input.mod string_utilities.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_negf.mod' due to: input_cp2k_negf.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_constraints.mod' due to: input_cp2k_constraints.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_stati.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_stati.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_stati.F tmc_stati.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_stati.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_stati.mod' due to: tmc_stati.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_stati.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_tmc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/input_cp2k_tmc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_mm.mod bibliography.mod kinds.mod base_hooks.mod tmc_stati.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:00 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_tmc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_tmc.mod' due to: input_cp2k_tmc.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/input_cp2k_tmc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_mm.mod bibliography.mod kinds.mod base_hooks.mod tmc_stati.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k_motion.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/start/input_cp2k_motion.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_constraints.mod input_constants.mod input_cp2k_md.mod cp_units.mod cp_output_handling.mod input_cp2k_free_energy.mod input_cp2k_subsys.mod input_cp2k_tmc.mod bibliography.mod input_cp2k_thermostats.mod kinds.mod base_hooks.mod input_cp2k_motion_print.mod string_utilities.mod input_cp2k_neb.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/start/input_cp2k_motion.F input_cp2k_motion.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:01 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/start/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k_motion.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_motion.mod' due to: input_cp2k_motion.o /build/cp2k-6PcaEs/cp2k-8.1/src/start/input_cp2k_motion.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod input_keyword_types.mod input_val_types.mod input_cp2k_constraints.mod input_constants.mod input_cp2k_md.mod cp_units.mod cp_output_handling.mod input_cp2k_free_energy.mod input_cp2k_subsys.mod input_cp2k_tmc.mod bibliography.mod input_cp2k_thermostats.mod kinds.mod base_hooks.mod input_cp2k_motion_print.mod string_utilities.mod input_cp2k_neb.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_optimize_input.mod' due to: input_optimize_input.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k_atom.mod' due to: input_cp2k_atom.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'input_cp2k.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/start/input_cp2k.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod input_constants.mod base_hooks.mod input_cp2k_vib.mod input_optimize_basis.mod cp_output_handling.mod kinds.mod swarm_input.mod input_cp2k_force_eval.mod input_cp2k_negf.mod string_utilities.mod cp_eri_mme_interface.mod input_cp2k_global.mod pw_grids.mod input_cp2k_rsgrid.mod input_cp2k_motion.mod input_optimize_input.mod shg_integrals_test.mod input_cp2k_atom.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/start/input_cp2k.F input_cp2k.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/start/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' input_cp2k.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'input_cp2k.mod' due to: input_cp2k.o /build/cp2k-6PcaEs/cp2k-8.1/src/start/input_cp2k.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod input_val_types.mod input_section_types.mod input_constants.mod base_hooks.mod input_cp2k_vib.mod input_optimize_basis.mod cp_output_handling.mod kinds.mod swarm_input.mod input_cp2k_force_eval.mod input_cp2k_negf.mod string_utilities.mod cp_eri_mme_interface.mod input_cp2k_global.mod pw_grids.mod input_cp2k_rsgrid.mod input_cp2k_motion.mod input_optimize_input.mod shg_integrals_test.mod input_cp2k_atom.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cell_opt.mod' due to: cell_opt.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_move_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_move_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_move_types.F tmc_move_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_move_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_move_types.mod' due to: tmc_move_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_move_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_tree_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_types.F tmc_tree_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_tree_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_tree_types.mod' due to: tmc_tree_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod cp_para_types.mod tmc_move_types.mod tmc_tree_types.mod cp_para_env.mod kinds.mod base_hooks.mod tmc_stati.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_types.F tmc_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_types.mod' due to: tmc_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod cp_para_types.mod tmc_move_types.mod tmc_tree_types.mod cp_para_env.mod kinds.mod base_hooks.mod tmc_stati.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_analysis_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_analysis_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod tmc_types.mod tmc_tree_types.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_analysis_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_analysis_types.mod' due to: tmc_analysis_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_analysis_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cell_types.mod tmc_types.mod tmc_tree_types.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_calculations.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_calculations.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod tmc_types.mod tmc_move_types.mod tmc_tree_types.mod f77_interface.mod mathconstants.mod kinds.mod base_hooks.mod tmc_stati.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_calculations.F tmc_calculations.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:13 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_calculations.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_calculations.F:134:31: 134 | conf%potential = e_pot | ^ Warning: ‘e_pot’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_calculations.F:134:31: Warning: ‘e_pot’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_calculations.mod' due to: tmc_calculations.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_calculations.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod tmc_types.mod tmc_move_types.mod tmc_tree_types.mod f77_interface.mod mathconstants.mod kinds.mod base_hooks.mod tmc_stati.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_file_io.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_file_io.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod tmc_types.mod tmc_move_types.mod tmc_tree_types.mod tmc_calculations.mod kinds.mod base_hooks.mod tmc_stati.mod cp_files.mod cp_log_handling.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_file_io.F tmc_file_io.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_file_io.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_file_io.mod' due to: tmc_file_io.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_file_io.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod tmc_types.mod tmc_move_types.mod tmc_tree_types.mod tmc_calculations.mod kinds.mod base_hooks.mod tmc_stati.mod cp_files.mod cp_log_handling.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_moves.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_moves.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod tmc_types.mod tmc_move_types.mod tmc_tree_types.mod mathlib.mod tmc_calculations.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_moves.F tmc_moves.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:18 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_moves.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_moves.mod' due to: tmc_moves.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_moves.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod tmc_types.mod tmc_move_types.mod tmc_tree_types.mod mathlib.mod tmc_calculations.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_dot_tree.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_dot_tree.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_move_types.mod tmc_tree_types.mod base_hooks.mod tmc_file_io.mod cp_files.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_dot_tree.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_dot_tree.mod' due to: tmc_dot_tree.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_dot_tree.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_move_types.mod tmc_tree_types.mod base_hooks.mod tmc_file_io.mod cp_files.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_cancelation.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_cancelation.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod base_hooks.mod tmc_dot_tree.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_cancelation.F tmc_cancelation.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:25 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_cancelation.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_cancelation.mod' due to: tmc_cancelation.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_cancelation.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod base_hooks.mod tmc_dot_tree.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_tree_references.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_references.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod tmc_cancelation.mod base_hooks.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_references.F tmc_tree_references.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:27 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_tree_references.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_tree_references.mod' due to: tmc_tree_references.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_references.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod tmc_cancelation.mod base_hooks.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_tree_search.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_search.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod tmc_tree_references.mod kinds.mod base_hooks.mod tmc_stati.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_search.F tmc_tree_search.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:28 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_tree_search.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_tree_search.mod' due to: tmc_tree_search.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_search.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_tree_types.mod tmc_tree_references.mod kinds.mod base_hooks.mod tmc_stati.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_move_handle.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_move_handle.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod tmc_move_types.mod tmc_types.mod tmc_tree_types.mod mathconstants.mod kinds.mod base_hooks.mod tmc_stati.mod string_utilities.mod cp_log_handling.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_move_handle.F tmc_move_handle.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_move_handle.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_move_handle.F:298:16: 298 | IF (move_types%mv_weight(ind) .GT. 0.0) THEN | ^ Warning: ‘ind’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_move_handle.mod' due to: tmc_move_handle.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_move_handle.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod tmc_move_types.mod tmc_types.mod tmc_tree_types.mod mathconstants.mod kinds.mod base_hooks.mod tmc_stati.mod string_utilities.mod cp_log_handling.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_tree_build.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_build.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_move_types.mod tmc_tree_types.mod tmc_moves.mod tmc_calculations.mod tmc_tree_references.mod kinds.mod tmc_tree_search.mod tmc_file_io.mod base_hooks.mod tmc_move_handle.mod tmc_stati.mod tmc_dot_tree.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_build.F tmc_tree_build.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_tree_build.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_tree_build.mod' due to: tmc_tree_build.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_build.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_move_types.mod tmc_tree_types.mod tmc_moves.mod tmc_calculations.mod tmc_tree_references.mod kinds.mod tmc_tree_search.mod tmc_file_io.mod base_hooks.mod tmc_move_handle.mod tmc_stati.mod tmc_dot_tree.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_analysis.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_analysis.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod tmc_analysis_types.mod tmc_types.mod tmc_tree_types.mod mathlib.mod tmc_calculations.mod mathconstants.mod kinds.mod base_hooks.mod tmc_file_io.mod tmc_stati.mod cp_files.mod physcon.mod force_fields_input.mod cp_log_handling.mod tmc_tree_build.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_analysis.F tmc_analysis.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_analysis.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_analysis.F:1131:89: 1131 | REAL(KIND=dp) :: aver_box_scale(3), vol, voldr | ^ Warning: ‘voldr’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_analysis.mod' due to: tmc_analysis.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_analysis.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cell_types.mod tmc_analysis_types.mod tmc_types.mod tmc_tree_types.mod mathlib.mod tmc_calculations.mod mathconstants.mod kinds.mod base_hooks.mod tmc_file_io.mod tmc_stati.mod cp_files.mod physcon.mod force_fields_input.mod cp_log_handling.mod tmc_tree_build.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_tree_acceptance.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_acceptance.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_move_types.mod tmc_tree_types.mod tmc_calculations.mod kinds.mod tmc_tree_search.mod tmc_file_io.mod base_hooks.mod tmc_move_handle.mod tmc_stati.mod cp_log_handling.mod tmc_dot_tree.mod physcon.mod tmc_tree_build.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_acceptance.F tmc_tree_acceptance.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:45 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_tree_acceptance.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_acceptance.F:396:10: 396 | IF (parent_ready) THEN | ^ Warning: ‘parent_ready’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_tree_acceptance.mod' due to: tmc_tree_acceptance.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_tree_acceptance.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod tmc_move_types.mod tmc_tree_types.mod tmc_calculations.mod kinds.mod tmc_tree_search.mod tmc_file_io.mod base_hooks.mod tmc_move_handle.mod tmc_stati.mod cp_log_handling.mod tmc_dot_tree.mod physcon.mod tmc_tree_build.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_messages.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_messages.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod cp_para_types.mod tmc_tree_types.mod message_passing.mod kinds.mod base_hooks.mod tmc_move_handle.mod tmc_stati.mod cp_log_handling.mod tmc_tree_build.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_messages.F tmc_messages.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:48 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_messages.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_messages.mod' due to: tmc_messages.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_messages.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_types.mod cp_para_types.mod tmc_tree_types.mod message_passing.mod kinds.mod base_hooks.mod tmc_move_handle.mod tmc_stati.mod cp_log_handling.mod tmc_tree_build.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_worker.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_worker.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod cp_para_types.mod molecule_list_types.mod cell_types.mod force_env_types.mod tmc_types.mod tmc_tree_types.mod particle_list_types.mod cp_result_types.mod cp_subsys_types.mod tmc_move_types.mod f77_interface.mod tmc_moves.mod tmc_calculations.mod cp_result_methods.mod base_hooks.mod cp_external_control.mod tmc_analysis.mod tmc_tree_acceptance.mod kinds.mod cp_log_handling.mod tmc_tree_build.mod tmc_messages.mod tmc_move_handle.mod tmc_stati.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_worker.F tmc_worker.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:54 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_worker.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_worker.mod' due to: tmc_worker.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_worker.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 tmc_analysis_types.mod cp_para_types.mod molecule_list_types.mod cell_types.mod force_env_types.mod tmc_types.mod tmc_tree_types.mod particle_list_types.mod cp_result_types.mod cp_subsys_types.mod tmc_move_types.mod f77_interface.mod tmc_moves.mod tmc_calculations.mod cp_result_methods.mod base_hooks.mod cp_external_control.mod tmc_analysis.mod tmc_tree_acceptance.mod kinds.mod cp_log_handling.mod tmc_tree_build.mod tmc_messages.mod tmc_move_handle.mod tmc_stati.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_master.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_master.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cell_types.mod tmc_types.mod global_types.mod tmc_tree_types.mod tmc_calculations.mod tmc_tree_search.mod base_hooks.mod cp_external_control.mod tmc_dot_tree.mod tmc_tree_acceptance.mod kinds.mod tmc_file_io.mod cp_log_handling.mod machine.mod tmc_cancelation.mod tmc_messages.mod tmc_move_handle.mod tmc_stati.mod tmc_tree_build.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_master.F tmc_master.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:33:58 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_master.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_master.mod' due to: tmc_master.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_master.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod cell_types.mod tmc_types.mod global_types.mod tmc_tree_types.mod tmc_calculations.mod tmc_tree_search.mod base_hooks.mod cp_external_control.mod tmc_dot_tree.mod tmc_tree_acceptance.mod kinds.mod tmc_file_io.mod cp_log_handling.mod machine.mod tmc_cancelation.mod tmc_messages.mod tmc_move_handle.mod tmc_stati.mod tmc_tree_build.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_setup.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_setup.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod tmc_analysis_types.mod cp_para_types.mod tmc_types.mod global_types.mod tmc_tree_types.mod input_section_types.mod f77_interface.mod base_hooks.mod tmc_analysis.mod cp_para_env.mod message_passing.mod bibliography.mod kinds.mod tmc_file_io.mod cp_log_handling.mod machine.mod environment.mod cp_files.mod tmc_worker.mod tmc_master.mod tmc_move_handle.mod tmc_stati.mod tmc_tree_build.mod header.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_setup.F tmc_setup.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:03 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_setup.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tmc_setup.mod' due to: tmc_setup.o /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_setup.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod tmc_analysis_types.mod cp_para_types.mod tmc_types.mod global_types.mod tmc_tree_types.mod input_section_types.mod f77_interface.mod base_hooks.mod tmc_analysis.mod cp_para_env.mod message_passing.mod bibliography.mod kinds.mod tmc_file_io.mod cp_log_handling.mod machine.mod environment.mod cp_files.mod tmc_worker.mod tmc_master.mod tmc_move_handle.mod tmc_stati.mod tmc_tree_build.mod header.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'vibrational_analysis.mod' due to: vibrational_analysis.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'optimize_basis.mod' due to: optimize_basis.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'glbopt_history.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_history.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_history.F glbopt_history.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:06 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_history.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'glbopt_history.mod' due to: glbopt_history.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_history.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod base_hooks.mod kinds.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'swarm_message.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_message.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod message_passing.mod cp_parser_methods.mod kinds.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_message.F swarm_message.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:07 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm_message.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_message.F:254:41: 254 | curr_entry => curr_entry%next | ^ Warning: ‘curr_entry’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'swarm_message.mod' due to: swarm_message.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_message.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_parser_types.mod message_passing.mod cp_parser_methods.mod kinds.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'glbopt_minhop.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_minhop.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod bibliography.mod base_hooks.mod glbopt_history.mod swarm_message.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_minhop.F glbopt_minhop.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:10 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_minhop.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'glbopt_minhop.mod' due to: glbopt_minhop.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_minhop.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod kinds.mod bibliography.mod base_hooks.mod glbopt_history.mod swarm_message.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'glbopt_mincrawl.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_mincrawl.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod particle_types.mod input_constants.mod cp_units.mod cp_output_handling.mod particle_methods.mod kinds.mod base_hooks.mod physcon.mod glbopt_history.mod swarm_message.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_mincrawl.F glbopt_mincrawl.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:12 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_mincrawl.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'glbopt_mincrawl.mod' due to: glbopt_mincrawl.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_mincrawl.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod particle_types.mod input_constants.mod cp_units.mod cp_output_handling.mod particle_methods.mod kinds.mod base_hooks.mod physcon.mod glbopt_history.mod swarm_message.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'glbopt_master.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_master.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod colvar_types.mod cp_para_types.mod molecule_types.mod input_section_types.mod molecule_kind_types.mod exclusion_types.mod atomic_kind_types.mod input_constants.mod glbopt_minhop.mod base_hooks.mod cp_output_handling.mod kinds.mod swarm_message.mod cp_log_handling.mod glbopt_mincrawl.mod cp_units.mod particle_methods.mod topology.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_master.F glbopt_master.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:14 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_master.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'glbopt_master.mod' due to: glbopt_master.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_master.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 particle_types.mod colvar_types.mod cp_para_types.mod molecule_types.mod input_section_types.mod molecule_kind_types.mod exclusion_types.mod atomic_kind_types.mod input_constants.mod glbopt_minhop.mod base_hooks.mod cp_output_handling.mod kinds.mod swarm_message.mod cp_log_handling.mod glbopt_mincrawl.mod cp_units.mod particle_methods.mod topology.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'swarm_master.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_master.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod global_types.mod cp_para_types.mod input_constants.mod cp_output_handling.mod glbopt_master.mod kinds.mod base_hooks.mod cp_external_control.mod swarm_message.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_master.F swarm_master.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:15 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm_master.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'swarm_master.mod' due to: swarm_master.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_master.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_parser_types.mod global_types.mod cp_para_types.mod input_constants.mod cp_output_handling.mod glbopt_master.mod kinds.mod base_hooks.mod cp_external_control.mod swarm_message.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'glbopt_worker.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_worker.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod mdctrl_types.mod force_env_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod f77_interface.mod md_run.mod kinds.mod base_hooks.mod geo_opt.mod swarm_message.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_worker.F glbopt_worker.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:17 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' glbopt_worker.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'glbopt_worker.mod' due to: glbopt_worker.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/glbopt_worker.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod mdctrl_types.mod force_env_types.mod global_types.mod cp_para_types.mod cp_subsys_types.mod f77_interface.mod md_run.mod kinds.mod base_hooks.mod geo_opt.mod swarm_message.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'swarm_worker.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_worker.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod input_constants.mod cp_output_handling.mod glbopt_worker.mod kinds.mod base_hooks.mod swarm_message.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_worker.F swarm_worker.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:19 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm_worker.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'swarm_worker.mod' due to: swarm_worker.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_worker.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod input_constants.mod cp_output_handling.mod glbopt_worker.mod kinds.mod base_hooks.mod swarm_message.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'swarm_mpi.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_mpi.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_iter_types.mod cp_para_types.mod machine.mod cp_para_env.mod message_passing.mod kinds.mod base_hooks.mod cp_files.mod swarm_message.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_mpi.F swarm_mpi.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm_mpi.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'swarm_mpi.mod' due to: swarm_mpi.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm_mpi.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_iter_types.mod cp_para_types.mod machine.mod cp_para_env.mod message_passing.mod kinds.mod base_hooks.mod cp_files.mod swarm_message.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'swarm.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod global_types.mod cp_para_types.mod cp_output_handling.mod kinds.mod swarm_master.mod base_hooks.mod swarm_worker.mod swarm_message.mod cp_log_handling.mod swarm_mpi.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm.F swarm.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:21 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/swarm/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' swarm.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'swarm.mod' due to: swarm.o /build/cp2k-6PcaEs/cp2k-8.1/src/swarm/swarm.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod global_types.mod cp_para_types.mod cp_output_handling.mod kinds.mod swarm_master.mod base_hooks.mod swarm_worker.mod swarm_message.mod cp_log_handling.mod swarm_mpi.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'bsse.mod' due to: bsse.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp2k_debug.mod' due to: cp2k_debug.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'negf_methods.mod' due to: negf_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'optimize_input.mod' due to: optimize_input.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'pint_methods.mod' due to: pint_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mc_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod fist_environment_types.mod cell_types.mod force_env_types.mod global_types.mod pair_potential_types.mod molecule_kind_list_types.mod input_section_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod kinds.mod string_utilities.mod cp_log_handling.mod cp_units.mod mathconstants.mod cp_files.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_types.F mc_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:23 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mc_types.mod' due to: mc_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 cp_para_types.mod fist_environment_types.mod cell_types.mod force_env_types.mod global_types.mod pair_potential_types.mod molecule_kind_list_types.mod input_section_types.mod fist_nonbond_env_types.mod molecule_kind_types.mod particle_list_types.mod cp_subsys_types.mod atomic_kind_types.mod input_constants.mod base_hooks.mod kinds.mod string_utilities.mod cp_log_handling.mod cp_units.mod mathconstants.mod cp_files.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mc_environment_types.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mc_types.mod force_env_types.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_environment_types.F mc_environment_types.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:30 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_environment_types.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mc_environment_types.mod' due to: mc_environment_types.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_environment_types.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mc_types.mod force_env_types.mod base_hooks.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mc_move_control.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_move_control.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mc_types.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_move_control.F mc_move_control.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:31 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_move_control.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mc_move_control.mod' due to: mc_move_control.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_move_control.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 mc_types.mod mathconstants.mod kinds.mod base_hooks.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mc_misc.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_misc.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_files.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_misc.F mc_misc.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:33 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_misc.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mc_misc.mod' due to: mc_misc.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_misc.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 force_env_types.mod mc_types.mod mathconstants.mod kinds.mod base_hooks.mod cp_files.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tamc_run.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/tamc_run.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod barostat_types.mod virial_types.mod colvar_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod simpar_types.mod force_env_types.mod averages_types.mod global_types.mod mc_environment_types.mod molecule_kind_list_types.mod input_section_types.mod md_ener_types.mod metadynamics_types.mod thermostat_types.mod thermal_region_types.mod distribution_1d_types.mod qs_environment_types.mod molecule_kind_types.mod mc_types.mod cp_subsys_types.mod particle_list_types.mod free_energy_types.mod atomic_kind_list_types.mod md_environment_types.mod atomic_kind_types.mod reftraj_types.mod input_constants.mod base_hooks.mod cp_external_control.mod constraint_fxd.mod thermal_region_utils.mod reference_manager.mod thermostat_methods.mod cp_output_handling.mod input_cp2k_restarts.mod bibliography.mod kinds.mod reftraj_util.mod simpar_methods.mod string_utilities.mod force_env_methods.mod md_energies.mod cp_log_handling.mod colvar_methods.mod machine.mod cp_units.mod input_cp2k_check.mod wiener_process.mod virial_methods.mod mc_move_control.mod md_run.mod qmmm_util.mod qs_scf_post_gpw.mod mc_misc.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/tamc_run.F tamc_run.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:35 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tamc_run.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'tamc_run.mod' due to: tamc_run.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/tamc_run.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod particle_types.mod barostat_types.mod virial_types.mod colvar_types.mod cp_para_types.mod molecule_list_types.mod molecule_types.mod cell_types.mod simpar_types.mod force_env_types.mod averages_types.mod global_types.mod mc_environment_types.mod molecule_kind_list_types.mod input_section_types.mod md_ener_types.mod metadynamics_types.mod thermostat_types.mod thermal_region_types.mod distribution_1d_types.mod qs_environment_types.mod molecule_kind_types.mod mc_types.mod cp_subsys_types.mod particle_list_types.mod free_energy_types.mod atomic_kind_list_types.mod md_environment_types.mod atomic_kind_types.mod reftraj_types.mod input_constants.mod base_hooks.mod cp_external_control.mod constraint_fxd.mod thermal_region_utils.mod reference_manager.mod thermostat_methods.mod cp_output_handling.mod input_cp2k_restarts.mod bibliography.mod kinds.mod reftraj_util.mod simpar_methods.mod string_utilities.mod force_env_methods.mod md_energies.mod cp_log_handling.mod colvar_methods.mod machine.mod cp_units.mod input_cp2k_check.mod wiener_process.mod virial_methods.mod mc_move_control.mod md_run.mod qmmm_util.mod qs_scf_post_gpw.mod mc_misc.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'ipi_driver.mod' due to: ipi_driver.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mscfg_methods.mod' due to: mscfg_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mc_control.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_control.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod molecule_kind_list_types.mod input_section_types.mod molecule_kind_types.mod particle_list_types.mod mc_types.mod cp_subsys_types.mod atomic_kind_types.mod f77_interface.mod base_hooks.mod message_passing.mod kinds.mod cp_log_handling.mod cp_files.mod mc_misc.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_control.F mc_control.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_control.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_control.F:289:54: 289 | atom_symbols(iunit) = atom_names(iunit, 1) | 1 Warning: CHARACTER expression will be truncated in assignment (5/80) at (1) [-Wcharacter-truncation] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mc_control.mod' due to: mc_control.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_control.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod molecule_kind_list_types.mod input_section_types.mod molecule_kind_types.mod particle_list_types.mod mc_types.mod cp_subsys_types.mod atomic_kind_types.mod f77_interface.mod base_hooks.mod message_passing.mod kinds.mod cp_log_handling.mod cp_files.mod mc_misc.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mc_coordinates.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_coordinates.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod particle_list_types.mod force_env_types.mod molecule_types.mod mc_types.mod cp_subsys_types.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod force_env_methods.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_coordinates.F mc_coordinates.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:47 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_coordinates.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mc_coordinates.mod' due to: mc_coordinates.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_coordinates.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod particle_list_types.mod force_env_types.mod molecule_types.mod mc_types.mod cp_subsys_types.mod message_passing.mod mathconstants.mod kinds.mod base_hooks.mod force_env_methods.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mc_ge_moves.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_ge_moves.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cell_types.mod force_env_types.mod input_section_types.mod particle_list_types.mod mc_types.mod cp_subsys_types.mod input_constants.mod base_hooks.mod mc_coordinates.mod message_passing.mod kinds.mod mc_control.mod force_env_methods.mod particle_methods.mod mc_move_control.mod mc_misc.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_ge_moves.F mc_ge_moves.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:34:52 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_ge_moves.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_ge_moves.F:544:65: 544 | moves(molecule_type, insert_box)%moves%swap%attempts + 1 | ^ Warning: ‘molecule_type’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_ge_moves.F:1092:38: 1092 | DEALLOCATE (test_env_bias) | ^ Warning: ‘test_env_bias.data’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mc_ge_moves.mod' due to: mc_ge_moves.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_ge_moves.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cell_types.mod force_env_types.mod input_section_types.mod particle_list_types.mod mc_types.mod cp_subsys_types.mod input_constants.mod base_hooks.mod mc_coordinates.mod message_passing.mod kinds.mod mc_control.mod force_env_methods.mod particle_methods.mod mc_move_control.mod mc_misc.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mc_moves.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_moves.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod force_env_types.mod global_types.mod molecule_kind_list_types.mod molecule_kind_types.mod particle_list_types.mod mc_types.mod cp_subsys_types.mod atomic_kind_types.mod base_hooks.mod mc_coordinates.mod message_passing.mod kinds.mod force_env_methods.mod cp_log_handling.mod mathconstants.mod md_run.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_moves.F mc_moves.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:35:02 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_moves.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mc_moves.mod' due to: mc_moves.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_moves.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cell_types.mod force_env_types.mod global_types.mod molecule_kind_list_types.mod molecule_kind_types.mod particle_list_types.mod mc_types.mod cp_subsys_types.mod atomic_kind_types.mod base_hooks.mod mc_coordinates.mod message_passing.mod kinds.mod force_env_methods.mod cp_log_handling.mod mathconstants.mod md_run.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mc_ensembles.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_ensembles.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod mc_environment_types.mod input_section_types.mod mc_types.mod cp_subsys_types.mod particle_list_types.mod input_constants.mod mc_ge_moves.mod base_hooks.mod mc_coordinates.mod cp_external_control.mod message_passing.mod kinds.mod mc_control.mod force_env_methods.mod cp_log_handling.mod machine.mod cp_units.mod particle_methods.mod mathconstants.mod cp_files.mod mc_moves.mod mc_move_control.mod mc_misc.mod physcon.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_ensembles.F mc_ensembles.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:35:11 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_ensembles.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_ensembles.F:142:66: 142 | start_atom, start_atom_swap, start_atom_target, start_mol | ^ Warning: ‘start_mol’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mc_ensembles.mod' due to: mc_ensembles.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_ensembles.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod cp_para_types.mod cell_types.mod force_env_types.mod global_types.mod mc_environment_types.mod input_section_types.mod mc_types.mod cp_subsys_types.mod particle_list_types.mod input_constants.mod mc_ge_moves.mod base_hooks.mod mc_coordinates.mod cp_external_control.mod message_passing.mod kinds.mod mc_control.mod force_env_methods.mod cp_log_handling.mod machine.mod cp_units.mod particle_methods.mod mathconstants.mod cp_files.mod mc_moves.mod mc_move_control.mod mc_misc.mod physcon.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'mc_run.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_run.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod force_env_types.mod global_types.mod cp_para_types.mod mc_environment_types.mod mc_types.mod kinds.mod mc_control.mod base_hooks.mod mc_ensembles.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_run.F mc_run.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:35:20 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' mc_run.F90 /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_run.F:171:36: 171 | ALLOCATE (force_env(1:nboxes)) | ^ Warning: ‘nboxes’ may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'mc_run.mod' due to: mc_run.o /build/cp2k-6PcaEs/cp2k-8.1/src/motion/mc/mc_run.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 parallel_rng_types.mod input_section_types.mod force_env_types.mod global_types.mod cp_para_types.mod mc_environment_types.mod mc_types.mod kinds.mod mc_control.mod base_hooks.mod mc_ensembles.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'atom.mod' due to: atom.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'farming_methods.mod' due to: farming_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'neb_methods.mod' due to: neb_methods.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'qs_tddfpt_module.mod' due to: qs_tddfpt_module.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'library_tests.mod' due to: library_tests.o true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp2k_runs.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/start/cp2k_runs.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod cp_para_types.mod force_env_types.mod cp_control_types.mod global_types.mod input_section_types.mod farming_types.mod qs_environment_types.mod cp_parser_types.mod cell_opt.mod cp2k_info.mod f77_interface.mod input_constants.mod input_cp2k.mod rt_propagation.mod cp_parser_methods.mod tmc_setup.mod base_hooks.mod vibrational_analysis.mod optimize_basis.mod reference_manager.mod input_cp2k_read.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod swarm.mod bsse.mod cp2k_debug.mod cp_output_handling.mod grid_api.mod bibliography.mod kinds.mod input_parsing.mod negf_methods.mod qs_linres_module.mod optimize_input.mod force_env_methods.mod pint_methods.mod string_utilities.mod tamc_run.mod cp_log_handling.mod machine.mod environment.mod cp_units.mod ipi_driver.mod input_cp2k_check.mod mscfg_methods.mod input_cp2k_global.mod sirius_interface.mod mc_run.mod atom.mod cp_files.mod md_run.mod farming_methods.mod neb_methods.mod qs_tddfpt_module.mod pw_fpga.mod cuda_profiling.mod geo_opt.mod pw_cuda.mod library_tests.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/start/cp2k_runs.F cp2k_runs.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:35:24 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/start/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp2k_runs.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp2k_runs.mod' due to: cp2k_runs.o /build/cp2k-6PcaEs/cp2k-8.1/src/start/cp2k_runs.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_keyword_types.mod cp_para_types.mod force_env_types.mod cp_control_types.mod global_types.mod input_section_types.mod farming_types.mod qs_environment_types.mod cp_parser_types.mod cell_opt.mod cp2k_info.mod f77_interface.mod input_constants.mod input_cp2k.mod rt_propagation.mod cp_parser_methods.mod tmc_setup.mod base_hooks.mod vibrational_analysis.mod optimize_basis.mod reference_manager.mod input_cp2k_read.mod cp_para_env.mod cp_dbcsr_cp2k_link.mod message_passing.mod swarm.mod bsse.mod cp2k_debug.mod cp_output_handling.mod grid_api.mod bibliography.mod kinds.mod input_parsing.mod negf_methods.mod qs_linres_module.mod optimize_input.mod force_env_methods.mod pint_methods.mod string_utilities.mod tamc_run.mod cp_log_handling.mod machine.mod environment.mod cp_units.mod ipi_driver.mod input_cp2k_check.mod mscfg_methods.mod input_cp2k_global.mod sirius_interface.mod mc_run.mod atom.mod cp_files.mod md_run.mod farming_methods.mod neb_methods.mod qs_tddfpt_module.mod pw_fpga.mod cuda_profiling.mod geo_opt.mod pw_cuda.mod library_tests.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp2k_shell.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/start/cp2k_shell.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod machine.mod input_cp2k_read.mod cp2k_info.mod f77_interface.mod input_constants.mod message_passing.mod string_utilities.mod kinds.mod cp2k_runs.mod base_hooks.mod cp_files.mod physcon.mod cp_log_handling.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/start/cp2k_shell.F cp2k_shell.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:35:34 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/start/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp2k_shell.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:541: update target 'cp2k_shell.mod' due to: cp2k_shell.o /build/cp2k-6PcaEs/cp2k-8.1/src/start/cp2k_shell.F /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod cp_para_types.mod machine.mod input_cp2k_read.mod cp2k_info.mod f77_interface.mod input_constants.mod message_passing.mod string_utilities.mod kinds.mod cp2k_runs.mod base_hooks.mod cp_files.mod physcon.mod cp_log_handling.mod true /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'cp2k.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/start/cp2k.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod machine.mod cp2k_info.mod f77_interface.mod input_constants.mod input_cp2k.mod kinds.mod cp2k_runs.mod cp2k_shell.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/start/cp2k.F cp2k.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:35:37 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/start/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' cp2k.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'libcp2k.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/start/libcp2k.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 input_section_types.mod force_env_types.mod qs_active_space_types.mod qs_mo_types.mod qs_environment_types.mod cp_fm_types.mod input_cp2k_read.mod cp2k_info.mod f77_interface.mod input_cp2k.mod kinds.mod cp2k_runs.mod base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/start/libcp2k.F libcp2k.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:35:38 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/start/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' libcp2k.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a' due to: libcp2k.o input_cp2k_motion.o cp2k_runs.o cp2k_shell.o input_cp2k.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a libcp2k.o input_cp2k_motion.o cp2k_runs.o cp2k_shell.o input_cp2k.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a' due to: mc_run.o tamc_run.o mc_coordinates.o mc_types.o mc_ensembles.o mc_moves.o mc_move_control.o mc_environment_types.o mc_control.o mc_ge_moves.o mc_misc.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a mc_run.o tamc_run.o mc_coordinates.o mc_types.o mc_ensembles.o mc_moves.o mc_move_control.o mc_environment_types.o mc_control.o mc_ge_moves.o mc_misc.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a' due to: swarm_master.o swarm_input.o glbopt_history.o swarm_message.o swarm_mpi.o glbopt_mincrawl.o glbopt_minhop.o glbopt_input.o swarm.o swarm_worker.o glbopt_worker.o glbopt_master.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a swarm_master.o swarm_input.o glbopt_history.o swarm_message.o swarm_mpi.o glbopt_mincrawl.o glbopt_minhop.o glbopt_input.o swarm.o swarm_worker.o glbopt_worker.o glbopt_master.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a /build/cp2k-6PcaEs/cp2k-8.1/Makefile:504: update target 'tmc_utils.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_utils.F /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/src/base/base_uses.f90 base_hooks.mod /build/cp2k-6PcaEs/cp2k-8.1/tools/build_utils/fypp -n /build/cp2k-6PcaEs/cp2k-8.1/src/tmc/tmc_utils.F tmc_utils.F90 mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:35:43 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/cp2k-6PcaEs/cp2k-8.1/src/tmc/' -I'/build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr' tmc_utils.F90 /build/cp2k-6PcaEs/cp2k-8.1/Makefile:519: update target '/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a' due to: tmc_analysis_types.o tmc_setup.o tmc_file_io.o tmc_moves.o tmc_tree_types.o tmc_tree_search.o input_cp2k_tmc.o tmc_tree_build.o tmc_calculations.o tmc_tree_acceptance.o tmc_stati.o tmc_master.o tmc_utils.o tmc_cancelation.o tmc_types.o tmc_messages.o tmc_move_types.o tmc_worker.o tmc_tree_references.o tmc_dot_tree.o tmc_move_handle.o tmc_analysis.o echo "Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a" Updating archive /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a ar -r /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a tmc_analysis_types.o tmc_setup.o tmc_file_io.o tmc_moves.o tmc_tree_types.o tmc_tree_search.o input_cp2k_tmc.o tmc_tree_build.o tmc_calculations.o tmc_tree_acceptance.o tmc_stati.o tmc_master.o tmc_utils.o tmc_cancelation.o tmc_types.o tmc_messages.o tmc_move_types.o tmc_worker.o tmc_tree_references.o tmc_dot_tree.o tmc_move_handle.o tmc_analysis.o ar: creating /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:119: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k.psmp' due to: cp2k.o /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:35:44 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k.psmp cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6PcaEs/cp2k-8.1/Makefile:508: update target 'libcp2k_unittest.o' due to: /build/cp2k-6PcaEs/cp2k-8.1/src/start/libcp2k_unittest.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_api.mod /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/exts/dbcsr/dbcsr_tensor_api.mod /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr/libdbcsr.a /build/cp2k-6PcaEs/cp2k-8.1/src/start/libcp2k.h mpicc -c -g -Wall -O2 -fopenmp /build/cp2k-6PcaEs/cp2k-8.1/src/start/libcp2k_unittest.c /build/cp2k-6PcaEs/cp2k-8.1/obj/Linux-x86_64-gfortran/psmp/all.dep:143: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/libcp2k_unittest.psmp' due to: libcp2k_unittest.o /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridhybrid.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a /build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Oct 12 09:35:50 UTC 2021\"" -D__COMPILE_HOST="\"dc88fb19a4e8\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp -o /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/libcp2k_unittest.psmp libcp2k_unittest.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -lcp2kgridhybrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/build/cp2k-6PcaEs/cp2k-8.1/lib/Linux-x86_64-gfortran/psmp/exts/dbcsr -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6PcaEs/cp2k-8.1/Makefile:237: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k_shell.psmp' due to: /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k.psmp cd /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran; ln -sf cp2k.psmp cp2k_shell.psmp /build/cp2k-6PcaEs/cp2k-8.1/Makefile:234: update target '/build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k.popt' due to: /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran/cp2k.psmp cd /build/cp2k-6PcaEs/cp2k-8.1/exe/Linux-x86_64-gfortran; ln -sf cp2k.psmp cp2k.popt make[2]: Leaving directory '/build/cp2k-6PcaEs/cp2k-8.1' cd tools/manual && \ /build/cp2k-6PcaEs/cp2k-8.1/exe/*/cp2k.psmp --xml && \ saxonb-xslt -o index.html -ext:on cp2k_input.xml cp2k_input.xsl make[1]: Leaving directory '/build/cp2k-6PcaEs/cp2k-8.1' debian/rules override_dh_auto_test make[1]: Entering directory '/build/cp2k-6PcaEs/cp2k-8.1' debian/rules:52: target 'override_dh_auto_test' does not exist (cd tools/regtesting; ARCH=Linux-`uname -m`-gfortran ./do_regtest \ -config ../../debian/regtest.config \ -restrictdir ATOM/regtest-2 \ -restrictdir DFTB/regtest-nonscc \ -restrictdir FARMING/regtest-1 \ -restrictdir FE/regtest-2 \ -restrictdir Fist/regtest-11 \ -restrictdir LIBTEST \ -restrictdir MC/regtest \ -restrictdir NEB/regtest-1 \ -restrictdir optimize_input/regtest-1 \ -restrictdir QMMM/QS/regtest-2-erf \ -restrictdir QMMM/QS/regtest-4 \ -restrictdir QMMM/QS/regtest-gapw \ -restrictdir QMMM/QS/regtest-lrigpw \ -restrictdir QMMM/SE/regtest_2 \ -restrictdir QMMM/DFTB/regtest \ -restrictdir QS/regtest-almo-eda \ -restrictdir QS/regtest-cdft-3-1 \ -restrictdir QS/regtest-dm-ls-scf-4 \ -restrictdir QS/regtest-epr-2 \ -restrictdir QS/regtest-fftw \ -restrictdir QS/regtest-gapw-2 \ -restrictdir QS/regtest-gpw-2-1 \ -restrictdir QS/regtest-hirshfeld \ -restrictdir QS/regtest-linearscaling \ -restrictdir QS/regtest-lsroks \ -restrictdir QS/regtest-md-lgvregion \ -restrictdir QS/regtest-nmr-2 \ -restrictdir QS/regtest-optbas \ -restrictdir QS/regtest-ot-refine-3 \ -restrictdir QS/regtest-pao-3 \ -restrictdir QS/regtest-polar \ -restrictdir QS/regtest-properties/resp \ -restrictdir QS/regtest-ps-implicit-2-3 \ -restrictdir QS/regtest-sccs-2 \ -restrictdir QS/regtest-tddfpt \ -restrictdir SCPTB/regtest-1 \ -restrictdir SE/regtest-3-1 \ -restrictdir SWARM/regtest-glbopt-1 \ -restrictdir TAMC/regtest \ -restrictdir QS/regtest-hfx-periodic \ -restrictdir QS/regtest-hfx-stress \ -restrictdir QS/regtest-hybrid-1 \ -restrictdir QS/regtest-libxc \ -restrictdir QS/regtest-mp2-1 \ -restrictdir QS/regtest-mp2-grad \ -restrictdir QS/regtest-ri-rpa ) ./do_regtest: line 620: ps: command not found *************************** testing started ****************************** started on Tue Oct 12 09:36:42 UTC 2021 configuration: Linux-x86_64-gfortran-psmp regtesting location summary file: /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/summary.txt regtesting location error_summary file: /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/error_summary regtesting location memory_summary file: /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/memory_summary regtesting location output dir: /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42 regtesting location last dir: /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-psmp ---------------------------- Settings ------------------------------------ maxtasks = 2 numprocs = 1 OMP_NUM_THREADS = 2 cp2k_run_prefix = cp2k_run_postfix = cp2k_prefix = /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..///exe/Linux-x86_64-gfortran/cp2k.psmp cp2k_postfix = cp2k_version = psmp dir_triplet = Linux-x86_64-gfortran job_max_time = 400 leakcheck = NO doretest = no nobuild = nobuild quick = quick shard = 1 / 1 skiptest = noskiptest do_unit_test = yes farming = no maxbuildtasks = 2 mem_limit = unlimited restrict_dirs = ATOM/regtest-2 restrict_dirs = DFTB/regtest-nonscc restrict_dirs = FARMING/regtest-1 restrict_dirs = FE/regtest-2 restrict_dirs = Fist/regtest-11 restrict_dirs = LIBTEST restrict_dirs = MC/regtest restrict_dirs = NEB/regtest-1 restrict_dirs = optimize_input/regtest-1 restrict_dirs = QMMM/QS/regtest-2-erf restrict_dirs = QMMM/QS/regtest-4 restrict_dirs = QMMM/QS/regtest-gapw restrict_dirs = QMMM/QS/regtest-lrigpw restrict_dirs = QMMM/SE/regtest_2 restrict_dirs = QMMM/DFTB/regtest restrict_dirs = QS/regtest-almo-eda restrict_dirs = QS/regtest-cdft-3-1 restrict_dirs = QS/regtest-dm-ls-scf-4 restrict_dirs = QS/regtest-epr-2 restrict_dirs = QS/regtest-fftw restrict_dirs = QS/regtest-gapw-2 restrict_dirs = QS/regtest-gpw-2-1 restrict_dirs = QS/regtest-hirshfeld restrict_dirs = QS/regtest-linearscaling restrict_dirs = QS/regtest-lsroks restrict_dirs = QS/regtest-md-lgvregion restrict_dirs = QS/regtest-nmr-2 restrict_dirs = QS/regtest-optbas restrict_dirs = QS/regtest-ot-refine-3 restrict_dirs = QS/regtest-pao-3 restrict_dirs = QS/regtest-polar restrict_dirs = QS/regtest-properties/resp restrict_dirs = QS/regtest-ps-implicit-2-3 restrict_dirs = QS/regtest-sccs-2 restrict_dirs = QS/regtest-tddfpt restrict_dirs = SCPTB/regtest-1 restrict_dirs = SE/regtest-3-1 restrict_dirs = SWARM/regtest-glbopt-1 restrict_dirs = TAMC/regtest restrict_dirs = QS/regtest-hfx-periodic restrict_dirs = QS/regtest-hfx-stress restrict_dirs = QS/regtest-hybrid-1 restrict_dirs = QS/regtest-libxc restrict_dirs = QS/regtest-mp2-1 restrict_dirs = QS/regtest-mp2-grad restrict_dirs = QS/regtest-ri-rpa --------------------------- GIT ------------------------------------------ CommitSHA: --------------------------- Resource limits ------------------------------ RESOURCE DESCRIPTION SOFT HARD UNITS AS address space limit unlimited unlimited bytes CORE max core file size unlimited unlimited bytes CPU CPU time unlimited unlimited seconds DATA max data size unlimited unlimited bytes FSIZE max file size unlimited unlimited bytes LOCKS max number of file locks held unlimited unlimited locks MEMLOCK max locked-in-memory address space 65536 65536 bytes MSGQUEUE max bytes in POSIX mqueues 819200 819200 bytes NICE max nice prio allowed to raise 0 0 NOFILE max number of open files 1024 1048576 files NPROC max number of processes unlimited unlimited processes RSS max resident set size unlimited unlimited bytes RTPRIO max real-time priority 0 0 RTTIME timeout for real-time tasks unlimited unlimited microsecs SIGPENDING max number of pending signals 515364 515364 signals STACK max stack size 8388608 unlimited bytes --------------------------- SELinux -------------------------------------- No SELinux installation found --------------------------- Preparations --------------------------------- Quick testing, no realclean No build, continue regression testing ------------------------ regtesting cp2k --------------------------------- ------------------------- dynamic libraries linked ----------------------- ldd /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..///exe/Linux-x86_64-gfortran/cp2k.psmp : linux-vdso.so.1 (0x00007ffc92ce0000) liblapack.so.3 => /usr/lib/x86_64-linux-gnu/liblapack.so.3 (0x00007f60e5928000) libblas.so.3 => /usr/lib/x86_64-linux-gnu/libblas.so.3 (0x00007f60e58bb000) libfftw3.so.3 => /usr/lib/x86_64-linux-gnu/libfftw3.so.3 (0x00007f60e56b4000) libfftw3_threads.so.3 => /usr/lib/x86_64-linux-gnu/libfftw3_threads.so.3 (0x00007f60e56ab000) libint2.so.2 => /usr/lib/x86_64-linux-gnu/libint2.so.2 (0x00007f60e3421000) libxcf03.so.5 => /usr/lib/x86_64-linux-gnu/libxcf03.so.5 (0x00007f60e3418000) libsymspg.so.1 => /usr/lib/x86_64-linux-gnu/libsymspg.so.1 (0x00007f60e33c6000) libmpi_mpifh.so.40 => /usr/lib/x86_64-linux-gnu/libmpi_mpifh.so.40 (0x00007f60e3362000) libscalapack-openmpi.so.2.1 => /usr/lib/x86_64-linux-gnu/libscalapack-openmpi.so.2.1 (0x00007f60e2dba000) libelpa.so.15 => /usr/lib/x86_64-linux-gnu/libelpa.so.15 (0x00007f60e2ce1000) libgfortran.so.5 => /usr/lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007f60e2a2b000) libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f60e28e7000) libmvec.so.1 => /lib/x86_64-linux-gnu/libmvec.so.1 (0x00007f60e28b9000) libgomp.so.1 => /usr/lib/x86_64-linux-gnu/libgomp.so.1 (0x00007f60e2879000) libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f60e285f000) libpthread.so.0 => /lib/x86_64-linux-gnu/libpthread.so.0 (0x00007f60e283d000) libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f60e2678000) libstdc++.so.6 => /usr/lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007f60e24ab000) libxc.so.5 => /usr/lib/x86_64-linux-gnu/libxc.so.5 (0x00007f60e1e5d000) libmpi.so.40 => /usr/lib/x86_64-linux-gnu/libmpi.so.40 (0x00007f60e1d34000) libopen-pal.so.40 => /usr/lib/x86_64-linux-gnu/libopen-pal.so.40 (0x00007f60e1c80000) libquadmath.so.0 => /usr/lib/x86_64-linux-gnu/libquadmath.so.0 (0x00007f60e1c37000) /lib64/ld-linux-x86-64.so.2 (0x00007f60e8f1f000) libdl.so.2 => /lib/x86_64-linux-gnu/libdl.so.2 (0x00007f60e1c2f000) libopen-rte.so.40 => /usr/lib/x86_64-linux-gnu/libopen-rte.so.40 (0x00007f60e1b73000) libhwloc.so.15 => /usr/lib/x86_64-linux-gnu/libhwloc.so.15 (0x00007f60e1b1a000) libutil.so.1 => /lib/x86_64-linux-gnu/libutil.so.1 (0x00007f60e1b15000) libevent_core-2.1.so.7 => /usr/lib/x86_64-linux-gnu/libevent_core-2.1.so.7 (0x00007f60e1adb000) libevent_pthreads-2.1.so.7 => /usr/lib/x86_64-linux-gnu/libevent_pthreads-2.1.so.7 (0x00007f60e1ad6000) libz.so.1 => /lib/x86_64-linux-gnu/libz.so.1 (0x00007f60e1ab7000) libudev.so.1 => /usr/lib/x86_64-linux-gnu/libudev.so.1 (0x00007f60e1a8f000) -------------------------------------------------------------------------- Copying tests into working directory ... done! CP2K supports: cp2kflags: omp libint fftw3 libxc elpa parallel mpi3 scalapack spglib Skipping QS/regtest-cdft-hirshfeld-2 : missing required feature : mpiranks>1 Skipping SIRIUS/regtest-1 : missing required feature : sirius Skipping QMMM/QS/regtest-cdft : missing required feature : mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==16||mpiranks==24 Skipping QS/regtest-rma : missing required feature : mpiranks==4 Skipping QS/regtest-cdft-3 : missing required feature : mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==16||mpiranks==24 Skipping LIBTEST/libvori : missing required feature : libvori Skipping LIBTEST/libbqb : missing required feature : libbqb Skipping QS/regtest-pexsi : missing required feature : pexsi Skipping QS/regtest-rma-3D : missing required feature : mpiranks==8 Skipping TMC/regtest_ana_on_the_fly : missing required feature : mpiranks>2 Skipping TMC/regtest : missing required feature : mpiranks>1 Skipping TMC/regtest_ana_post_proc : missing required feature : mpiranks>1 Skipping Fist/regtest-quip : missing required feature : quip Skipping Fist/regtest-plumed2 : missing required feature : plumed2 Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-mp2-grad (1 of 45) Running H2O_grad_mme.inp Running H2O_grad_gpw.inp Running H2_H2_no_freeHFX.inp Running O2_dyn.inp Running O2_dyn_mme.inp Running CH_dyn_screen.inp Running MOM_MP2_geoopt.inp Running H2O_MD_mme.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-mp2-grad H2O_grad_mme.inp -16.766973159454970 OK ( 29.57 sec) H2O_grad_gpw.inp -16.990049885804993 OK ( 38.30 sec) H2_H2_no_freeHFX.inp -2.307711033963855 OK ( 26.93 sec) O2_dyn.inp -31.519148246527717 OK ( 25.96 sec) O2_dyn_mme.inp 0.50585576 OK ( 34.72 sec) CH_dyn_screen.inp -5.700371305121260 OK ( 30.11 sec) MOM_MP2_geoopt.inp -13.969021718696272 OK ( 37.12 sec) H2O_MD_mme.inp -17.056807611801180 OK ( 38.86 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-mp2-grad (1 of 45) done in 272.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-ri-rpa (2 of 45) Running RI_RPA_H2O.inp Running RI_RPA_H2O_overlap_metric.inp Running RI_RPA_CH3.inp Running RI_RPA_H2O_SYRK.inp Running RI_RPA_minimax_H_atom.inp Running RI_RPA_H2O_minimax.inp Running RI_RPA_H2O_PBE0.inp Running RI_RPA_H2O_PBE0_ADMM1.inp Running RI_RPA_H2O_Obara_Saika.inp Running RI_RPA_H2O_svd.inp Running RI_RPA_H2O_overlap_metric_svd.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-ri-rpa RI_RPA_H2O.inp -17.145691221375827 OK ( 23.37 sec) RI_RPA_H2O_overlap_metric.inp -17.145538849243536 OK ( 20.34 sec) RI_RPA_CH3.inp -7.415612316029151 OK ( 27.79 sec) RI_RPA_H2O_SYRK.inp -17.145691221375827 OK ( 21.62 sec) RI_RPA_minimax_H_atom.inp -0.510122901484671 OK ( 11.55 sec) RI_RPA_H2O_minimax.inp -17.145691263471022 OK ( 22.02 sec) RI_RPA_H2O_PBE0.inp -17.122863632433329 OK ( 24.33 sec) RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055312 OK ( 32.17 sec) RI_RPA_H2O_Obara_Saika.inp -17.160204463747334 OK ( 11.77 sec) RI_RPA_H2O_svd.inp -17.145632690184627 OK ( 21.14 sec) RI_RPA_H2O_overlap_metric_svd.inp -17.145498315844495 OK ( 18.40 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-ri-rpa (2 of 45) done in 247.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-tddfpt (3 of 45) Running H2O_tddfpt-s-1.inp Running H2O_tddfpt-t-1.inp Running NO_tddfpt-s-1.inp Running NO_tddfpt-t-1.inp Running H2O_tddfpt-s-2.inp Running H2O_tddfpt-t-2.inp Running NO_tddfpt-t-2.inp Running H2O_tddfpt-s-3.inp Running H2O_tddfpt-t-3.inp Running NO_tddfpt-s-3.inp Running NO_tddfpt-t-3.inp Running H2O_tddfpt_NTO.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-tddfpt H2O_tddfpt-s-1.inp 0.602948E+00 OK ( 3.75 sec) H2O_tddfpt-t-1.inp 0.304878E+00 OK ( 2.99 sec) NO_tddfpt-s-1.inp 0.348494E+00 OK ( 15.17 sec) NO_tddfpt-t-1.inp 0.359779E+00 OK ( 15.52 sec) H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 3.68 sec) H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 3.99 sec) NO_tddfpt-t-2.inp 0.358683E+00 OK ( 16.45 sec) H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 3.34 sec) H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 4.21 sec) NO_tddfpt-s-3.inp 0.350929E+00 OK ( 10.28 sec) NO_tddfpt-t-3.inp 0.358683E+00 OK ( 16.91 sec) H2O_tddfpt_NTO.inp 0.551476E+00 OK ( 7.89 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-tddfpt (3 of 45) done in 119.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-libxc (4 of 45) Running H2O-hybrid-b3lyp_libxc_uks.inp Running H2O_pbe_libxc_tddfpt-s.inp Running H2O_lda_libxc_tddfpt-s.inp Running H2O_pbe_libxc_tddfpt-t_uks.inp Running H2O-hybrid-b3lyp_libxc.inp Running H2O-hybrid-tpssh_libxc.inp Running H2O_lda_libxc_tddfpt-t_uks.inp Running H2O-tpssx_libxc.inp Running diamond_br89_libxc_uks.inp Running diamond_br89_libxc.inp Running H2O-tpss_lsd.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-libxc H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581185 OK ( 10.58 sec) H2O_pbe_libxc_tddfpt-s.inp -17.23116251470411 OK ( 12.70 sec) H2O_lda_libxc_tddfpt-s.inp -17.13289833455465 OK ( 12.31 sec) H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474723 OK ( 28.28 sec) H2O-hybrid-b3lyp_libxc.inp -76.41035426581183 OK ( 8.70 sec) H2O-hybrid-tpssh_libxc.inp -76.40918264715266 OK ( 10.99 sec) H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455855 OK ( 24.63 sec) H2O-tpssx_libxc.inp -33.88300963208437 OK ( 9.95 sec) diamond_br89_libxc_uks.inp -11.06581614908315 OK ( 101.70 sec) diamond_br89_libxc.inp -11.06581614908316 OK ( 44.92 sec) H2O-tpss_lsd.inp -34.34060245665610 OK ( 24.59 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-libxc (4 of 45) done in 303.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hfx-periodic (5 of 45) Running H2O-trunc-2.inp Running H2O-trunc-auto.inp Running H2O-coul-0.inp Running H2O-trunc-auto-md.inp Running CH3-trunc-auto.inp Running CH3-trunc-1.inp Running CH3-trunc-auto-md.inp Running CH3-coul-0.inp Running h2o-respa.inp Running h2o-respa_restart.inp Running H2O-id-auto.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hfx-periodic H2O-trunc-2.inp -75.99943504501115 OK ( 7.21 sec) H2O-trunc-auto.inp -75.99943504501110 OK ( 7.18 sec) H2O-coul-0.inp -76.02314790926958 OK ( 6.23 sec) H2O-trunc-auto-md.inp -0.752385976642E+02 OK ( 12.09 sec) CH3-trunc-auto.inp -39.13005530688503 OK ( 10.30 sec) CH3-trunc-1.inp -39.36116309682870 OK ( 12.75 sec) CH3-trunc-auto-md.inp -0.387264301986E+02 OK ( 26.04 sec) CH3-coul-0.inp -39.39910229689072 OK ( 12.52 sec) h2o-respa.inp -76.02310918726101 OK ( 54.56 sec) h2o-respa_restart.inp -76.02267217092363 OK ( 37.32 sec) H2O-id-auto.inp -88.00800458675090 OK ( 5.33 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hfx-periodic (5 of 45) done in 206.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-polar (6 of 45) Running h2o_LRraman.inp Running h2o_LRraman_loc.inp Running h2o_LRraman_noort.inp Running H2O_md_polar.inp Running xTB_LRraman.inp Running xTB_LRraman_loc.inp Running h2o_LRraman_LRI.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-polar h2o_LRraman.inp 0.006125121412 OK ( 1.70 sec) h2o_LRraman_loc.inp 0.009153812508 OK ( 28.43 sec) h2o_LRraman_noort.inp 0.023303680948 OK ( 8.24 sec) H2O_md_polar.inp 0.635317998131 OK ( 79.57 sec) xTB_LRraman.inp 0.804852847403 OK ( 0.77 sec) xTB_LRraman_loc.inp 0.804852847403 OK ( 0.54 sec) h2o_LRraman_LRI.inp 0.004262314774 OK ( 8.22 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-polar (6 of 45) done in 136.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-sccs-2 (7 of 45) Running H2O_sccs_otdiis_cd5.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-sccs-2 H2O_sccs_otdiis_cd5.inp -17.22654049703095 OK ( 41.74 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-sccs-2 (7 of 45) done in 44.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/MC/regtest (8 of 45) Running MC_QS.inp Running MC_QS_restart.inp Running GEMC_NpT_box1.inp Running GEMC_NVT_box1.inp Running GEMC_swap_box1.inp Running canonical.inp Running canonical_bias.inp Running virial.inp Running hmc.inp Running MC_QS_cluster.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/MC/regtest MC_QS.inp -51.34794469 OK ( 7.88 sec) MC_QS_restart.inp -51.34909000 OK ( 9.54 sec) GEMC_NpT_box1.inp 0.49826574 OK ( 3.71 sec) GEMC_NVT_box1.inp 0.49803069 OK ( 3.38 sec) GEMC_swap_box1.inp 0.55872200 OK ( 5.96 sec) canonical.inp 0.55333815 OK ( 0.42 sec) canonical_bias.inp 0.38566238 OK ( 1.86 sec) virial.inp -.723498E+03 OK ( 3.30 sec) hmc.inp -2.49775342 OK ( 47.81 sec) MC_QS_cluster.inp -123.50714373283118 OK ( 74.56 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/MC/regtest (8 of 45) done in 170.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-ps-implicit-2-3 (9 of 45) Running H2O_mixed_periodic_cuboidal.inp Running H2O_mixed_periodic_cylindrical.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-ps-implicit-2-3 H2O_mixed_periodic_cuboidal.inp -17.23631232134920 OK ( 79.89 sec) H2O_mixed_periodic_cylindrical.inp -17.32193400042420 OK ( 45.77 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-ps-implicit-2-3 (9 of 45) done in 130.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/ATOM/regtest-2 (10 of 45) Running H.inp Running He_1.inp Running He_2.inp Running He_3.inp Running He_5.inp Running F_1.inp Running F_2.inp Running F_3.inp Running F_4.inp Running F_5.inp Running U.inp Running Ru.inp Running Ru_basis.inp Running Ru_conf.inp Running atom_1.inp Running atom_2.inp Running atom_3.inp Running atom_4.inp Running atom_5.inp Running atom_c1.inp Running atom_c2.inp Running atom_c3.inp Running atom_c4.inp Running atom_c5.inp Running slater_0.inp Running slater_1.inp Running slater_2.inp Running slater_3.inp Running slater_4.inp Running slater_5.inp Running slater_6.inp Running slater_7.inp Running slater_8.inp Running slater_9.inp Running slater_10.inp Running Hg.inp Running C.inp Running C_ADMM.inp Running C_tpss.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/ATOM/regtest-2 H.inp -0.499999999830 OK ( 0.36 sec) He_1.inp -1.399307796698 OK ( 0.07 sec) He_2.inp -1.336212351224 OK ( 0.07 sec) He_3.inp -1.416270865184 OK ( 0.07 sec) He_5.inp -1.408879880907 OK ( 0.02 sec) F_1.inp -24.171954774816 OK ( 0.21 sec) F_2.inp -24.171954774816 OK ( 0.19 sec) F_3.inp -24.171954774816 OK ( 0.20 sec) F_4.inp -23.517790822115 OK ( 0.11 sec) F_5.inp -23.437623684262 OK ( 0.05 sec) U.inp -25598.253318868839 OK ( 7.19 sec) Ru.inp -15.9518066199 OK ( 8.91 sec) Ru_basis.inp -15.951806619855 OK ( 0.16 sec) Ru_conf.inp -15.9897774741 OK ( 21.68 sec) atom_1.inp -0.462506882641 OK ( 0.16 sec) atom_2.inp -0.356859139125 OK ( 0.09 sec) atom_3.inp -0.462506882641 OK ( 0.07 sec) atom_4.inp -0.146531730136 OK ( 0.08 sec) atom_5.inp -0.462506882641 OK ( 0.11 sec) atom_c1.inp -0.460470116001 OK ( 0.04 sec) atom_c2.inp -0.348633649362 OK ( 0.02 sec) atom_c3.inp -0.460470116001 OK ( 0.08 sec) atom_c4.inp -0.038182392054 OK ( 0.04 sec) atom_c5.inp -0.460470116001 OK ( 0.12 sec) slater_0.inp -2.847630187388 OK ( 0.02 sec) slater_1.inp -526.292493965898 OK ( 0.02 sec) slater_2.inp -24.243036046113 OK ( 0.86 sec) slater_3.inp -2.838751324071 OK ( 0.04 sec) slater_4.inp 8.063992740899 OK ( 0.11 sec) slater_5.inp 109583.1142107928 OK ( 0.14 sec) slater_6.inp 3762956.0611208631 OK ( 0.29 sec) slater_7.inp -2.8616551247 OK ( 0.84 sec) slater_8.inp -0.1875976021 OK ( 0.11 sec) slater_9.inp -525.7615443522 OK ( 0.29 sec) slater_10.inp -2.841058209720 OK ( 0.02 sec) Hg.inp -19601.624766751003 OK ( 3.76 sec) C.inp -37.799871796427 OK ( 0.42 sec) C_ADMM.inp -37.758721798836 OK ( 0.28 sec) C_tpss.inp -37.801438870459 OK ( 0.47 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/ATOM/regtest-2 (10 of 45) done in 91.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/LIBTEST (11 of 45) Running test_01.inp Running test_02.inp Running test_pw.inp Running test_pw_02.inp Running test_pw_03.inp Running test_pw_04.inp Running test_pw_05.inp Running test_cp_fm_gemm_01.inp Running test_cp_fm_gemm_02.inp Running eig.inp Running dbcsr_mm_blas.inp Running dbcsr_multistack.inp Running dbcsr_types.inp Running dbcsr_blocks_01.inp Running dbcsr_blocks_02.inp Running dbcsr_blocks_03.inp Running dbcsr_blocks_04.inp Running dbcsr_blocks_05.inp Running dbcsr_types_01.inp Running dbcsr_types_02.inp Running dbcsr_types_03.inp Running dbcsr_types_04.inp Running dbcsr_types_05.inp Running dbcsr_io_1.inp Running dbcsr_order_N.inp Running test_eri_mme_accuracy.inp Running test_eri_mme_accuracy_longrange.inp Running test_eri_mme_accuracy_yukawa.inp Running test_eri_mme_performance.inp Running test_minimax.inp Running test_shg_integrals_01.inp Running test_shg_integrals_02.inp Running grid_ref_backend_ortho.inp Running grid_validate_ortho.inp Running grid_ref_backend_nonortho.inp Running grid_validate_nonortho.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/LIBTEST test_01.inp - OK ( 8.64 sec) test_02.inp - OK ( 1.82 sec) test_pw.inp - OK ( 1.00 sec) test_pw_02.inp - OK ( 0.01 sec) test_pw_03.inp - OK ( 0.01 sec) test_pw_04.inp - OK ( 14.61 sec) test_pw_05.inp - OK ( 0.05 sec) test_cp_fm_gemm_01.inp - OK ( 2.34 sec) test_cp_fm_gemm_02.inp - OK ( 2.17 sec) eig.inp - OK ( 0.08 sec) dbcsr_mm_blas.inp - OK ( 0.22 sec) dbcsr_multistack.inp - OK ( 1.09 sec) dbcsr_types.inp - OK ( 1.32 sec) dbcsr_blocks_01.inp 20978908949.261906 OK ( 3.56 sec) dbcsr_blocks_02.inp 21229174127.238159 OK ( 3.20 sec) dbcsr_blocks_03.inp 21561533688.640675 OK ( 3.10 sec) dbcsr_blocks_04.inp 21304439095.777740 OK ( 3.53 sec) dbcsr_blocks_05.inp 21455488291.450737 OK ( 3.12 sec) dbcsr_types_01.inp 272584373.29241335 OK ( 0.82 sec) dbcsr_types_02.inp 272584373.29241335 OK ( 0.94 sec) dbcsr_types_03.inp 272584373.29241335 OK ( 1.01 sec) dbcsr_types_04.inp 272584373.29241335 OK ( 1.75 sec) dbcsr_types_05.inp 272584373.29241335 OK ( 1.15 sec) dbcsr_io_1.inp - OK ( 0.34 sec) dbcsr_order_N.inp 1910924.8949438259 OK ( 14.94 sec) test_eri_mme_accuracy.inp - OK ( 2.65 sec) test_eri_mme_accuracy_longrange.inp - OK ( 2.69 sec) test_eri_mme_accuracy_yukawa.inp - OK ( 2.24 sec) test_eri_mme_performance.inp - OK ( 3.72 sec) test_minimax.inp - OK ( 1.15 sec) test_shg_integrals_01.inp - OK ( 4.13 sec) test_shg_integrals_02.inp - OK ( 1.66 sec) grid_ref_backend_ortho.inp -21.04944231395037 OK ( 2.49 sec) grid_validate_ortho.inp -21.04944231395036 OK ( 3.01 sec) grid_ref_backend_nonortho.inp -18.04976254477840 OK ( 1.03 sec) grid_validate_nonortho.inp -18.04976254477840 OK ( 1.50 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/LIBTEST (11 of 45) done in 142.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hfx-stress (12 of 45) Running ch3-admm.inp Running ch3.inp Running ch4-admm.inp Running h2o.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hfx-stress ch3-admm.inp -7.17220679376E+00 OK ( 48.58 sec) ch3.inp 2.83902802123E+01 OK ( 20.69 sec) ch4-admm.inp -7.10694854843E+00 OK ( 41.61 sec) h2o.inp 1.26297506368E+01 OK ( 12.24 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hfx-stress (12 of 45) done in 128.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/DFTB/regtest-nonscc (13 of 45) Running ch2o-1.inp Running ch2o-2.inp Running ch2o-3.inp Running ch2o-r.inp Running h2-1.inp Running h2-2.inp Running h2-3.inp Running h2-4.inp Running h2o-32_1.inp Running h2o-32_2.inp Running h2o-32_3.inp Running h2o-32_4.inp Running MoS.inp Running n2.inp Running s2.inp Running ch2o_atprop.inp Running MoS_atprop.inp Running h2o-32_atprop.inp Running co2_1.inp Running co2_2.inp Running co2_3.inp Running si_kp1.inp Running si_kp2.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/DFTB/regtest-nonscc ch2o-1.inp -5.82072731467941 OK ( 0.14 sec) ch2o-2.inp -5.82159061359820 OK ( 0.36 sec) ch2o-3.inp -5.81373413468792 OK ( 0.41 sec) ch2o-r.inp -5.81373413468792 OK ( 0.40 sec) h2-1.inp -0.70875565358819 OK ( 0.05 sec) h2-2.inp -0.70875565358819 OK ( 0.09 sec) h2-3.inp -0.70875565358819 OK ( 0.05 sec) h2-4.inp -0.71042952969308 OK ( 0.70 sec) h2o-32_1.inp -131.08636939008764 OK ( 3.29 sec) h2o-32_2.inp -131.07999691054354 OK ( 3.10 sec) h2o-32_3.inp -131.07520911566405 OK ( 2.20 sec) h2o-32_4.inp -131.07520911521181 OK ( 14.01 sec) MoS.inp -2.99616182900092 OK ( 0.47 sec) n2.inp -4.86560729572791 OK ( 3.07 sec) s2.inp -4.83731808711856 OK ( 0.71 sec) ch2o_atprop.inp -5.81281420275335 OK ( 0.10 sec) MoS_atprop.inp -2.99616182900092 OK ( 0.49 sec) h2o-32_atprop.inp -131.08636939008764 OK ( 2.45 sec) co2_1.inp -8.55586246566685 OK ( 0.11 sec) co2_2.inp -8.55586246566686 OK ( 0.10 sec) co2_3.inp -8.55586246566686 OK ( 0.11 sec) si_kp1.inp -10.06358203475393 OK ( 3.03 sec) si_kp2.inp - OK ( 24.99 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/DFTB/regtest-nonscc (13 of 45) done in 89.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hirshfeld (14 of 45) Running htest_1.inp Running htest_2.inp Running htest_3.inp Running htest_4.inp Running htest_5.inp Running htest_6.inp Running htest_7.inp Running htest_8.inp Running htest_9.inp Running hlsd_1.inp Running hlsd_2.inp Running hlsd_3.inp Running hlsd_4.inp Running hlsd_5.inp Running hlsd_6.inp Running hlsd_7.inp Running hlsd_8.inp Running hlsd_9.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hirshfeld htest_1.inp -17.14603641519600 OK ( 1.21 sec) htest_2.inp -17.14603641519600 OK ( 1.22 sec) htest_3.inp -17.14603641519600 OK ( 1.42 sec) htest_4.inp -17.14603641519600 OK ( 1.02 sec) htest_5.inp -17.14603641519600 OK ( 1.11 sec) htest_6.inp -17.14603641519600 OK ( 1.26 sec) htest_7.inp -17.13771713041175 OK ( 1.27 sec) htest_8.inp -17.13771713041175 OK ( 1.36 sec) htest_9.inp -17.13771713041175 OK ( 1.76 sec) hlsd_1.inp -16.81101156813313 OK ( 2.33 sec) hlsd_2.inp -16.81101156813313 OK ( 2.45 sec) hlsd_3.inp -16.81101156813313 OK ( 2.14 sec) hlsd_4.inp -16.81101156813314 OK ( 2.15 sec) hlsd_5.inp -16.81101156813313 OK ( 2.65 sec) hlsd_6.inp -16.80070757658130 OK ( 2.76 sec) hlsd_7.inp -16.80070757658130 OK ( 2.70 sec) hlsd_8.inp -16.80070757658130 OK ( 3.23 sec) hlsd_9.inp -16.80070757658129 OK ( 3.23 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hirshfeld (14 of 45) done in 56.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-gpw-2-1 (15 of 45) Running H2-vib.inp Running H2-vib_tc.inp Running H2O-2.inp Running H2O-3.inp Running H2O-4.inp Running ZrO.inp Running Ar-12.inp Running Ar-13.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-gpw-2-1 H2-vib.inp 3855.524137 OK ( 19.41 sec) H2-vib_tc.inp -5.75148845 OK ( 21.30 sec) H2O-2.inp -17.14619644944921 OK ( 3.00 sec) H2O-3.inp -17.14553123442887 OK ( 2.77 sec) H2O-4.inp -17.14677584577016 OK ( 3.08 sec) ZrO.inp -62.20520122490161 OK ( 1.32 sec) Ar-12.inp -21.04251999575884 OK ( 3.07 sec) Ar-13.inp -21.12624107439688 OK ( 2.77 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-gpw-2-1 (15 of 45) done in 67.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/DFTB/regtest (16 of 45) Running wdim_scc.inp Running wdim_nonscc.inp Running wdimmc_scc.inp Running wdimmc_nonscc.inp Running epc_1.inp Running epc_2.inp Running epc_3.inp Running epc_4.inp Running fdeb_1.inp Running fdeb_2.inp Running fdeb_3.inp Running fdeb_4.inp Running fdeb_5.inp Running fdeb_6.inp Running fdeb_7.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/DFTB/regtest wdim_scc.inp -4.07355023693330 OK ( 0.30 sec) wdim_nonscc.inp -4.10498450145550 OK ( 0.19 sec) wdimmc_scc.inp -4.07060757309577 OK ( 0.33 sec) wdimmc_nonscc.inp -4.10169797261566 OK ( 0.35 sec) epc_1.inp -4.07357205844602 OK ( 0.33 sec) epc_2.inp -4.07355023693330 OK ( 0.34 sec) epc_3.inp -4.10500910796087 OK ( 0.44 sec) epc_4.inp -4.07358020377115 OK ( 0.43 sec) fdeb_1.inp - OK ( 7.56 sec) fdeb_2.inp - OK ( 6.41 sec) fdeb_3.inp - OK ( 4.80 sec) fdeb_4.inp - OK ( 8.53 sec) fdeb_5.inp - OK ( 4.71 sec) fdeb_6.inp - OK ( 6.32 sec) fdeb_7.inp - OK ( 8.01 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/DFTB/regtest (16 of 45) done in 68.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-gapw (17 of 45) Running C11H24-qmmmgapwall-gauss-0.inp Running C11H24-qmmmgapw-gauss-0.inp Running H2O-qmmm-gapw-fdbg.inp Running H2O-qmmm-hfx.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-gapw C11H24-qmmmgapwall-gauss-0.inp -156.88271046730759 OK ( 7.39 sec) C11H24-qmmmgapw-gauss-0.inp -28.0421973526 OK ( 7.99 sec) H2O-qmmm-gapw-fdbg.inp -16.93909155475011 OK ( 25.83 sec) H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 16.79 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-gapw (17 of 45) done in 64.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-4 (18 of 45) Running crys_per_qmmm.inp Running crys_per_qmmm_anal.inp Running crys_per_qmmm_spln.inp Running crys_per_qmmm_none.inp Running acn-qmmm-re.inp Running acn-conn-1.inp Running wat_nacl.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-4 crys_per_qmmm.inp -0.08375440741138 OK ( 6.08 sec) crys_per_qmmm_anal.inp -0.03306937253920 OK ( 5.55 sec) crys_per_qmmm_spln.inp -0.03306936689225 OK ( 5.74 sec) crys_per_qmmm_none.inp -0.08375440741158 OK ( 3.04 sec) acn-qmmm-re.inp -14.78512402428378 OK ( 2.43 sec) acn-conn-1.inp -291.98859227602475 OK ( 10.78 sec) wat_nacl.inp -16.691503876245214 OK ( 7.03 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-4 (18 of 45) done in 50.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/SE/regtest_2 (19 of 45) Running nh3_g4x6_excl_mm.inp Running nh3_g4x6_excl_qm.inp Running water_colv_excl_mm.inp Running water_colv_excl_qm.inp Running water_fixd_excl_mm.inp Running water_fixd_excl_qm.inp Running water_g3x3_excl_mm.inp Running water_g3x3_excl_qm.inp Running Si_tersoff_qmmm.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/SE/regtest_2 nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 2.68 sec) nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 2.93 sec) water_colv_excl_mm.inp -0.128071776255E+02 OK ( 2.95 sec) water_colv_excl_qm.inp -0.128078086386E+02 OK ( 2.96 sec) water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 1.94 sec) water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 2.63 sec) water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 2.12 sec) water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 2.56 sec) Si_tersoff_qmmm.inp -3418.06809308977336 OK ( 23.81 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/SE/regtest_2 (19 of 45) done in 55.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-mp2-1 (20 of 45) Running H2O-01.inp Running Li.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-mp2-1 H2O-01.inp -76.263035235006953 OK ( 18.30 sec) Li.inp -7.442887463667534 OK ( 24.43 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-mp2-1 (20 of 45) done in 46.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-gapw-2 (21 of 45) Running Li-ROKS.inp Running NO2-ROKS.inp Running C-levelshift.inp Running H2-pbe-restart-run.inp Running H2-pbe-restart-rerun.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-gapw-2 Li-ROKS.inp -7.33891040994158 OK ( 3.60 sec) NO2-ROKS.inp -203.77833570926819 OK ( 8.99 sec) C-levelshift.inp -37.44694658478038 OK ( 4.53 sec) H2-pbe-restart-run.inp -0.60698327541572 OK ( 15.31 sec) H2-pbe-restart-rerun.inp -0.60698327541578 OK ( 3.49 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-gapw-2 (21 of 45) done in 45.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-2-erf (22 of 45) Running H2O-qmmm-gauss-14-geep-2.inp Running H2O-qmmm-gauss-14-geep-3.inp Running H2O-qmmm-gauss-14-geep-4.inp Running H2O-qmmm-gauss-14-geep-5.inp Running H2O-qmmm-gauss-14-geep-6.inp Running H2O-qmmm-gauss-14-geep-7.inp Running H2O-qmmm-gauss-14-geep-8.inp Running H2O-qmmm-gauss-14-geep-9.inp Running H2O-qmmm-gauss-14-geep-10.inp Running H2O-qmmm-gauss-14-geep-11.inp Running H2O-qmmm-gauss-14-geep-12.inp Running H2O-qmmm-gauss-14-geep-13.inp Running H2O-qmmm-gauss-14-geep-14.inp Running H2O-qmmm-gauss-14-geep-15.inp Running H2O-qmmm-gauss-14-geep-16.inp Running H2O-qmmm-gauss-14-geep-17.inp Running H2O-qmmm-gauss-14-geep-18.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-2-erf H2O-qmmm-gauss-14-geep-2.inp -12.90417644796132 OK ( 0.98 sec) H2O-qmmm-gauss-14-geep-3.inp -12.90712061195513 OK ( 0.64 sec) H2O-qmmm-gauss-14-geep-4.inp -12.90733560861444 OK ( 0.69 sec) H2O-qmmm-gauss-14-geep-5.inp -12.92642686633616 OK ( 0.86 sec) H2O-qmmm-gauss-14-geep-6.inp -12.92230602229930 OK ( 0.81 sec) H2O-qmmm-gauss-14-geep-7.inp -12.91849696653133 OK ( 0.68 sec) H2O-qmmm-gauss-14-geep-8.inp -12.91621682584141 OK ( 0.88 sec) H2O-qmmm-gauss-14-geep-9.inp -12.91437166178051 OK ( 0.72 sec) H2O-qmmm-gauss-14-geep-10.inp -12.91328069125532 OK ( 0.86 sec) H2O-qmmm-gauss-14-geep-11.inp -12.91297474164520 OK ( 0.78 sec) H2O-qmmm-gauss-14-geep-12.inp -12.91332340554816 OK ( 0.70 sec) H2O-qmmm-gauss-14-geep-13.inp -12.91325023093018 OK ( 0.76 sec) H2O-qmmm-gauss-14-geep-14.inp -12.91299456138501 OK ( 0.88 sec) H2O-qmmm-gauss-14-geep-15.inp -12.91325018773295 OK ( 3.12 sec) H2O-qmmm-gauss-14-geep-16.inp -12.91325925146000 OK ( 2.68 sec) H2O-qmmm-gauss-14-geep-17.inp -12.91336718381622 OK ( 2.98 sec) H2O-qmmm-gauss-14-geep-18.inp -12.91336753630966 OK ( 3.56 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-2-erf (22 of 45) done in 42.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-md-lgvregion (23 of 45) Running langevin_regions-1.inp Running langevin_regions-2.inp Running langevin_regions-3.inp Running langevin_regions-4.inp Running langevin_regions-5.inp Running langevin_regions-6.inp Running langevin_regions-7.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-md-lgvregion langevin_regions-1.inp -34.28350497030235 OK ( 5.47 sec) langevin_regions-2.inp -34.29678091855068 OK ( 4.97 sec) langevin_regions-3.inp -34.28350497030270 OK ( 4.92 sec) langevin_regions-4.inp -34.28727330165424 OK ( 5.11 sec) langevin_regions-5.inp -34.36743843099307 OK ( 6.92 sec) langevin_regions-6.inp -34.36335813030959 OK ( 6.97 sec) langevin_regions-7.inp -34.37404120268194 OK ( 6.98 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-md-lgvregion (23 of 45) done in 50.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-almo-eda (24 of 45) Running almo-eda-x.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-almo-eda almo-eda-x.inp -85.963743073053308 OK ( 45.04 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-almo-eda (24 of 45) done in 47.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-epr-2 (25 of 45) Running NO2-EPR-1.inp Running NO2-EPR-2.inp Running NO2-EPR-3.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-epr-2 NO2-EPR-1.inp -0.344563E-02 OK ( 26.18 sec) NO2-EPR-2.inp -0.252817E-02 OK ( 8.47 sec) NO2-EPR-3.inp -0.358602E-02 OK ( 12.68 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-epr-2 (25 of 45) done in 52.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hybrid-1 (26 of 45) Running H2O-hybrid-bhandh.inp Running H2O-hybrid-bhandhlyp.inp Running H2O-hybrid-pbe0.inp Running H2O-hybrid-b3lyp.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hybrid-1 H2O-hybrid-bhandh.inp -75.90482120088639 OK ( 6.42 sec) H2O-hybrid-bhandhlyp.inp -76.33558053104215 OK ( 6.90 sec) H2O-hybrid-pbe0.inp -76.31995335312718 OK ( 7.52 sec) H2O-hybrid-b3lyp.inp -76.37338940401892 OK ( 7.35 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-hybrid-1 (26 of 45) done in 33.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/FARMING/regtest-1 (27 of 45) Running farming-1.inp Running farming-2.inp Running farming-3.inp Running farming-4.inp Running farming-5.inp Running farming-6.inp Running farming-7.inp Running farming-8.inp Running farming-9.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/FARMING/regtest-1 farming-1.inp - OK ( 2.26 sec) farming-2.inp - OK ( 2.40 sec) farming-3.inp - OK ( 2.44 sec) farming-4.inp - OK ( 2.16 sec) farming-5.inp - OK ( 2.62 sec) farming-6.inp - OK ( 1.80 sec) farming-7.inp - OK ( 2.60 sec) farming-8.inp - OK ( 2.22 sec) farming-9.inp - OK ( 0.50 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/FARMING/regtest-1 (27 of 45) done in 30.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-ot-refine-3 (28 of 45) Running h2o_ot_lwdn_on_the_fly_l1.inp Running h2o_ot_poly_on_the_fly_l1.inp Running o2_ot_lwdn_on_the_fly_l1.inp Running o2_ot_poly_on_the_fly_l1.inp Running h2o_ot_refine_3.inp Running h2o_ot_refine_4.inp Running o2_ot_refine_3.inp Running o2_ot_refine_4.inp Running h2o_ot_precond_1.inp Running h2o_ot_precond_2.inp Running h2o_ot_precond_3.inp Running h2o_ot_precond_4.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-ot-refine-3 h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683766 OK ( 1.63 sec) h2o_ot_poly_on_the_fly_l1.inp -17.13045715683766 OK ( 1.70 sec) o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232900 OK ( 2.85 sec) o2_ot_poly_on_the_fly_l1.inp -31.70815200232903 OK ( 2.74 sec) h2o_ot_refine_3.inp -17.08884672065215 OK ( 1.32 sec) h2o_ot_refine_4.inp -17.11857283464191 OK ( 0.99 sec) o2_ot_refine_3.inp -31.60858514413055 OK ( 1.63 sec) o2_ot_refine_4.inp -31.58768162895353 OK ( 1.40 sec) h2o_ot_precond_1.inp -16.05766867329450 OK ( 0.56 sec) h2o_ot_precond_2.inp -16.06790080254981 OK ( 0.43 sec) h2o_ot_precond_3.inp -16.02559849783376 OK ( 0.56 sec) h2o_ot_precond_4.inp -15.85782186391537 OK ( 0.62 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-ot-refine-3 (28 of 45) done in 31.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/Fist/regtest-11 (29 of 45) Running H2O-32_NVT_CSVR_gen1.inp Running H2O-32_NVT_CSVR_gen2.inp Running H2O-32_NVT_CSVR_gen3.inp Running H2O-32_NVT_NOSE_gen_noCNS0.inp Running H2O-32_NVT_CSVR_gen_noCNS1.inp Running H2O-32_NVT_CSVR_gen_noCNS1_R.inp Running H2O-32_NVT_CSVR_gen_noCNS2.inp Running H2O-32_NVT_CSVR_gen_noCNS2_R.inp Running H2O-32_NVT_NOSE_gen_noCNS1.inp Running H2O-32_NVT_NOSE_gen_noCNS1_R.inp Running H2O-32_NVT_NOSE_gen_noCNS2.inp Running H2O-32_NVT_NOSE_gen_noCNS2_R.inp Running H2O-32_NVT_CSVR_gen_noCNS3.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/Fist/regtest-11 H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.91 sec) H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.93 sec) H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.92 sec) H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.89 sec) H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.92 sec) H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.78 sec) H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.91 sec) H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.66 sec) H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.92 sec) H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.88 sec) H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 1.02 sec) H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 1.05 sec) H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.75 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/Fist/regtest-11 (29 of 45) done in 28.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-cdft-3-1 (30 of 45) Running HeH-noconstraint.inp Running HeH-cdft-state-1.inp Running HeH-cdft-state-2-reversed.inp Running HeH-mixed-cdft-reversed-1.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-cdft-3-1 HeH-noconstraint.inp -3.01067446615106 OK ( 6.71 sec) HeH-cdft-state-1.inp 0.048406444556 OK ( 9.03 sec) HeH-cdft-state-2-reversed.inp -1.819391902440 OK ( 9.60 sec) HeH-mixed-cdft-reversed-1.inp 616.641603574191 OK ( 2.27 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-cdft-3-1 (30 of 45) done in 34.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/NEB/regtest-1 (31 of 45) Running 2gly_B-NEB.inp Running 2gly_CI-NEB.inp Running 2gly_EB-NEB.inp Running 2gly_IT-NEB.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/NEB/regtest-1 2gly_B-NEB.inp -0.25722568775377 OK ( 3.61 sec) 2gly_CI-NEB.inp -0.18925537289822 OK ( 3.79 sec) 2gly_EB-NEB.inp 49.27319370383622 OK ( 4.05 sec) 2gly_IT-NEB.inp 0.38518828458623 OK ( 2.42 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/NEB/regtest-1 (31 of 45) done in 20.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-pao-3 (32 of 45) Running He_ref.inp Running He_pao_initguess_exp.inp Running He_pao_initguess_fock.inp Running He_pao_initguess_rotinv.inp Running He_pao_initguess_gth.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-pao-3 He_ref.inp -2.889334869153417 OK ( 3.76 sec) He_pao_initguess_exp.inp -2.888972913350860 OK ( 1.90 sec) He_pao_initguess_fock.inp -2.888972913350860 OK ( 1.94 sec) He_pao_initguess_rotinv.inp -2.888972913350860 OK ( 1.74 sec) He_pao_initguess_gth.inp -2.888972913350860 OK ( 1.89 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-pao-3 (32 of 45) done in 18.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/optimize_input/regtest-1 (33 of 45) Running argon-ref.inp Running driver.inp Running driver-restart.inp Running driver-stride.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/optimize_input/regtest-1 argon-ref.inp - OK ( 0.44 sec) driver.inp 0.1072347063760515E+03 OK ( 1.36 sec) driver-restart.inp 0.1076965059321605E+03 OK ( 2.18 sec) driver-stride.inp 0.1072343388958498E+03 OK ( 0.69 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/optimize_input/regtest-1 (33 of 45) done in 10.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-properties/resp (34 of 45) Running CH3OH_nonperiodic.inp Running CH3OH_periodic.inp Running graphite.inp Running CH3OH_periodic_repeat.inp Running graphite_REPEAT.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-properties/resp CH3OH_nonperiodic.inp 4.418290 OK ( 1.59 sec) CH3OH_periodic.inp 2.456029 OK ( 1.42 sec) graphite.inp -1.073313 OK ( 5.13 sec) CH3OH_periodic_repeat.inp -4.871712 OK ( 1.56 sec) graphite_REPEAT.inp 0.006058 OK ( 4.76 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-properties/resp (34 of 45) done in 22.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-nmr-2 (35 of 45) Running He_nmr_full.inp Running he2_bug_disp.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-nmr-2 He_nmr_full.inp 0.198893E+03 OK ( 18.06 sec) he2_bug_disp.inp 0.144732E+03 OK ( 4.31 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-nmr-2 (35 of 45) done in 26.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/SE/regtest-3-1 (36 of 45) Running H2O-MNDO-2.inp Running H-0.inp Running H2-0.inp Running H2.inp Running H2O-MNDO.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/SE/regtest-3-1 H2O-MNDO-2.inp -351.42145109555827 OK ( 0.55 sec) H-0.inp -0.319258384771667 OK ( 0.22 sec) H2-0.inp -0.993280881213762 OK ( 0.68 sec) H2.inp -0.037305167769230 OK ( 0.45 sec) H2O-MNDO.inp -12.913048351744974 OK ( 2.89 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/SE/regtest-3-1 (36 of 45) done in 11.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-optbas (37 of 45) Running H2O-ref.inp Running opt-1.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-optbas H2O-ref.inp -17.02896604845323 OK ( 4.21 sec) opt-1.inp -.46916008E+03 OK ( 11.61 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-optbas (37 of 45) done in 19.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-linearscaling (38 of 45) Running test-shrt.inp Running w3-filter.inp Running w3-filter-2.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-linearscaling test-shrt.inp - OK ( 2.62 sec) w3-filter.inp -51.14051793253742 OK ( 4.14 sec) w3-filter-2.inp -78.30555080313484 OK ( 1.19 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-linearscaling (38 of 45) done in 12.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/SWARM/regtest-glbopt-1 (39 of 45) Running LJ10_minhop_1.inp Running LJ10_minhop_2.inp Running LJ10_mincrawl_1.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/SWARM/regtest-glbopt-1 LJ10_minhop_1.inp -0.26595092E-01 OK ( 1.41 sec) LJ10_minhop_2.inp -0.28422123E-01 OK ( 1.09 sec) LJ10_mincrawl_1.inp -0.28421538E-01 OK ( 9.81 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/SWARM/regtest-glbopt-1 (39 of 45) done in 17.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/TAMC/regtest (40 of 45) Running dimer.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/TAMC/regtest dimer.inp -31.336010769131100 OK ( 20.95 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/TAMC/regtest (40 of 45) done in 23.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-lsroks (41 of 45) Running O2.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-lsroks O2.inp -31.43642997434302 OK ( 8.41 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-lsroks (41 of 45) done in 11.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-lrigpw (42 of 45) Running C11H24-qmmm-gauss-0-lrigpw.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-lrigpw C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026096921 OK ( 4.93 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QMMM/QS/regtest-lrigpw (42 of 45) done in 8.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/FE/regtest-2 (43 of 45) Running Solv_alch_chng.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/FE/regtest-2 Solv_alch_chng.inp -0.732003926645E+01 OK ( 8.53 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/FE/regtest-2 (43 of 45) done in 10.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-fftw (44 of 45) Running H2-big-1.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-fftw H2-big-1.inp -28.149134408983251 OK ( 4.53 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-fftw (44 of 45) done in 7.00 sec Starting regression tests in /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-dm-ls-scf-4 (45 of 45) Running H2O-dft-ls-DEFAULTS.inp Running H2O-dft-ls-NEWTONSCHULZ.inp Running H2O-dft-ls-PROOT3.inp Running H2O-dft-ls-PROOT4.inp Running H2O-dft-ls-PROOT5.inp Running H2O-dft-ls-NEWTONSCHULZ3.inp Running H2O-dft-ls-NEWTONSCHULZ4.inp Running H2O-dft-ls-NEWTONSCHULZ5.inp Running H2O-dft-ls-NEWTONSCHULZ6.inp Running H2O-dft-ls-NEWTONSCHULZ7.inp Running H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp Running H2O-dft-ls-SUBMATRIX-NS.inp Running H2O-dft-ls-SUBMATRIX-NS3.inp Running H2O-dft-ls-SUBMATRIX-DIRECT.inp Running H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp Running H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp >>> /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-dm-ls-scf-4 H2O-dft-ls-DEFAULTS.inp -17.031737705910469 OK ( 1.94 sec) H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705910469 OK ( 1.58 sec) H2O-dft-ls-PROOT3.inp -17.031737715858107 OK ( 2.03 sec) H2O-dft-ls-PROOT4.inp -17.031737702676047 OK ( 2.02 sec) H2O-dft-ls-PROOT5.inp -17.031737600350329 OK ( 1.88 sec) H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706154345 OK ( 2.59 sec) H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706154345 OK ( 1.99 sec) H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706154345 OK ( 2.04 sec) H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706154274 OK ( 2.14 sec) H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706160783 OK ( 1.92 sec) H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705910469 OK ( 1.87 sec) H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705910469 OK ( 1.85 sec) H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706154345 OK ( 1.90 sec) H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706154345 OK ( 1.86 sec) H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706154345 OK ( 1.85 sec) H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706154352 OK ( 1.90 sec) <<< /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/tests/QS/regtest-dm-ls-scf-4 (45 of 45) done in 52.00 sec -------------------------------------------------------------------------- -------------------------------------------------------------------------- regtesting location summary file: /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/summary.txt regtesting location error_summary file: /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/error_summary regtesting location memory_summary file: /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42/memory_summary regtesting location output dir: /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2021-10-12_09-36-42 regtesting location last dir: /build/cp2k-6PcaEs/cp2k-8.1/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-psmp --------------------------------- Timings -------------------------------- Plot: name="timings", title="Timing Distribution", ylabel="time [s]" PlotPoint: name="100th_percentile", plot="timings", label="100th %ile", y=101.7, yerr=0.0 PlotPoint: name="99th_percentile", plot="timings", label="99th %ile", y=61.3599999999995, yerr=0.0 PlotPoint: name="98th_percentile", plot="timings", label="98th %ile", y=45.53640000000001, yerr=0.0 PlotPoint: name="95th_percentile", plot="timings", label="95th %ile", y=29.947999999999993, yerr=0.0 PlotPoint: name="90th_percentile", plot="timings", label="90th %ile", y=21.644000000000002, yerr=0.0 PlotPoint: name="80th_percentile", plot="timings", label="80th %ile", y=9.588000000000001, yerr=0.0 --------------------------------- Summary -------------------------------- Number of FAILED tests 0 Number of WRONG tests 0 Number of CORRECT tests 367 Total number of tests 367 GREPME 0 0 367 0 367 X Summary: correct: 367 / 367; 52min Status: OK -------------------------------------------------------------------------- Regtest took 3106.00 seconds. -------------------------------------------------------------------------- Tue Oct 12 10:28:27 UTC 2021 *************************** testing ended ******************************** make[1]: Leaving directory '/build/cp2k-6PcaEs/cp2k-8.1' create-stamp debian/debhelper-build-stamp dh_prep -a dh_auto_install -a make -j4 install DESTDIR=/build/cp2k-6PcaEs/cp2k-8.1/debian/tmp AM_UPDATE_INFO_DIR=no make[1]: Entering directory '/build/cp2k-6PcaEs/cp2k-8.1' Discovering programs ... Makefile:280: target 'install' does not exist echo "" echo "The CP2K executable is /build/cp2k-6PcaEs/cp2k-8.1/exe/local/cp2k.ssmp" The CP2K executable is /build/cp2k-6PcaEs/cp2k-8.1/exe/local/cp2k.ssmp echo "" make[1]: Leaving directory '/build/cp2k-6PcaEs/cp2k-8.1' dh_install -a dh_installdocs -a dh_installchangelogs -a dh_installexamples -a dh_perl -a dh_link -a dh_strip_nondeterminism -a dh_compress -a dh_fixperms -a dh_missing -a dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dh_installdeb -a dh_gencontrol -a dh_md5sums -a dh_builddeb -a dpkg-deb: building package 'cp2k-dbgsym' in '../cp2k-dbgsym_8.1-9_amd64.deb'. dpkg-deb: building package 'cp2k' in '../cp2k_8.1-9_amd64.deb'. dpkg-genbuildinfo --build=any dpkg-genchanges --build=any >../cp2k_8.1-9_amd64.changes dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) I: running special hook: sync-out /build/cp2k-6PcaEs /tmp/cp2k-8.1-9tgc479lj I: cleaning package lists and apt cache... W: deleting files in /tmp: hsperfdata_builduser W: deleting files in /tmp: hsperfdata_root I: creating tarball... I: done I: removing tempdir /tmp/mmdebstrap.XiiVQ6FskQ... I: success in 8846.6762 seconds md5: Value of 'md5' differs for cp2k-dbgsym_8.1-9_amd64.deb md5: Size differs for cp2k-dbgsym_8.1-9_amd64.deb md5: Value of 'md5' differs for cp2k_8.1-9_amd64.deb md5: Size differs for cp2k_8.1-9_amd64.deb sha1: Value of 'sha1' differs for cp2k-dbgsym_8.1-9_amd64.deb sha1: Size differs for cp2k-dbgsym_8.1-9_amd64.deb sha1: Value of 'sha1' differs for cp2k_8.1-9_amd64.deb sha1: Size differs for cp2k_8.1-9_amd64.deb sha256: Value of 'sha256' differs for cp2k-dbgsym_8.1-9_amd64.deb sha256: Size differs for cp2k-dbgsym_8.1-9_amd64.deb sha256: Value of 'sha256' differs for cp2k_8.1-9_amd64.deb sha256: Size differs for cp2k_8.1-9_amd64.deb Checksums: FAIL Cannot generate diffoscope for cp2k-dbgsym_8.1-9_amd64.deb: Cannot find URL: http://snapshot.notset.fr/mr/file/a74fe2e2f64a0def93d6ae98c15ae77758fbc24c84a64dd09e6cc3a4beec0085/download diffoscope run passed