Input buildinfo: https://buildinfos.debian.net/buildinfo-pool/e/elkcode/elkcode_6.3.2-2_amd64.buildinfo Use metasnap for getting required timestamps New buildinfo file: /tmp/elkcode-6.3.2-2jgj3oyjn/elkcode_6.3.2-2_amd64.buildinfo Get source package info: elkcode=6.3.2-2 Source URL: http://snapshot.notset.fr/mr/package/elkcode/6.3.2-2/srcfiles?fileinfo=1 env -i PATH=/usr/sbin:/usr/bin:/sbin:/bin TMPDIR=/tmp mmdebstrap --arch=amd64 --include=adduser=3.118 autoconf=2.69-11.1 automake=1:1.16.2-4 autopoint=0.19.8.1-10 autotools-dev=20180224.1 base-files=11 base-passwd=3.5.47 bash=5.0-7 binutils=2.35.1-1 binutils-common=2.35.1-1 binutils-x86-64-linux-gnu=2.35.1-1 bsdextrautils=2.36-3+b1 bsdutils=1:2.36-3+b1 build-essential=12.8 bzip2=1.0.8-4 coreutils=8.32-4+b1 cpp=4:10.2.0-1 cpp-10=10.2.0-13 dash=0.5.10.2-7 debconf=1.5.74 debhelper=13.2.1 debianutils=4.11.2 dh-autoreconf=19 dh-strip-nondeterminism=1.9.0-1 diffutils=1:3.7-3 dpkg=1.20.5 dpkg-dev=1.20.5 dwz=0.13-5 file=1:5.38-5 findutils=4.7.0-1 fontconfig-config=2.13.1-4.2 fonts-dejavu-core=2.37-2 fonts-lmodern=2.004.5-6 g++=4:10.2.0-1 g++-10=10.2.0-13 gcc=4:10.2.0-1 gcc-10=10.2.0-13 gcc-10-base=10.2.0-13 gettext=0.19.8.1-10 gettext-base=0.19.8.1-10 gfortran=4:10.2.0-1 gfortran-10=10.2.0-13 grep=3.4-1 groff-base=1.22.4-5 gzip=1.10-2 hostname=3.23 ibverbs-providers=31.0-1 init-system-helpers=1.58 intltool-debian=0.35.0+20060710.5 libacl1=2.2.53-8 libapache-pom-java=18-1 libarchive-zip-perl=1.68-1 libasan6=10.2.0-13 libatomic1=10.2.0-13 libattr1=1:2.4.48-5 libaudit-common=1:2.8.5-3 libaudit1=1:2.8.5-3+b1 libbinutils=2.35.1-1 libblas-dev=3.9.0-3 libblas3=3.9.0-3 libblkid1=2.36-3+b1 libbrotli1=1.0.9-2 libbsd0=0.10.0-1 libbz2-1.0=1.0.8-4 libc-bin=2.31-3 libc-dev-bin=2.31-3 libc6=2.31-3 libc6-dev=2.31-3 libcairo2=1.16.0-4 libcap-ng0=0.7.9-2.2 libcbor0=0.5.0+dfsg-2 libcc1-0=10.2.0-13 libcom-err2=1.45.6-1 libcommons-logging-java=1.2-2 libcommons-parent-java=43-1 libcroco3=0.6.13-1 libcrypt-dev=1:4.4.17-1 libcrypt1=1:4.4.17-1 libctf-nobfd0=2.35.1-1 libctf0=2.35.1-1 libdb5.3=5.3.28+dfsg1-0.6 libdebconfclient0=0.254 libdebhelper-perl=13.2.1 libdpkg-perl=1.20.5 libedit2=3.1-20191231-1 libelf1=0.181-1 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=2.2.9-1 libfabric1=1.11.0-2 libffi7=3.3-4 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=1.5.0-2 libfile-stripnondeterminism-perl=1.9.0-1 libfontbox-java=1:1.8.16-2 libfontconfig1=2.13.1-4.2 libfreetype6=2.10.2+dfsg-3 libgcc-10-dev=10.2.0-13 libgcc-s1=10.2.0-13 libgcrypt20=1.8.6-2 libgdbm-compat4=1.18.1-5.1 libgdbm6=1.18.1-5.1 libgfortran-10-dev=10.2.0-13 libgfortran5=10.2.0-13 libglib2.0-0=2.66.0-2 libgmp10=2:6.2.0+dfsg-6 libgomp1=10.2.0-13 libgpg-error0=1.38-2 libgraphite2-3=1.3.14-1 libgssapi-krb5-2=1.17-10 libharfbuzz0b=2.6.7-1 libhwloc-dev=2.3.0+dfsg-1 libhwloc-plugins=2.3.0+dfsg-1 libhwloc15=2.3.0+dfsg-1 libibverbs-dev=31.0-1 libibverbs1=31.0-1 libice6=2:1.0.10-1 libicu67=67.1-4 libisl22=0.22.1-1 libitm1=10.2.0-13 libjs-jquery=3.5.1+dfsg-4 libjs-jquery-ui=1.12.1+dfsg-7 libk5crypto3=1.17-10 libkeyutils1=1.6.1-2 libkpathsea6=2020.20200327.54578-5 libkrb5-3=1.17-10 libkrb5support0=1.17-10 liblapack-dev=3.9.0-3 liblapack3=3.9.0-3 liblsan0=10.2.0-13 libltdl-dev=2.4.6-14 libltdl7=2.4.6-14 liblz4-1=1.9.2-2 liblzma5=5.2.4-1+b1 libmagic-mgc=1:5.38-5 libmagic1=1:5.38-5 libmount1=2.36-3+b1 libmpc3=1.2.0-1 libmpfr6=4.1.0-3 libncursesw6=6.2+20200918-1 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 libnuma-dev=2.0.12-1+b1 libnuma1=2.0.12-1+b1 libopenmpi-dev=4.0.5-5 libopenmpi3=4.0.5-5 libpam-modules=1.3.1-5 libpam-modules-bin=1.3.1-5 libpam-runtime=1.3.1-5 libpam0g=1.3.1-5 libpaper-utils=1.1.28+b1 libpaper1=1.1.28+b1 libpciaccess0=0.16-1 libpcre2-8-0=10.34-7 libpcre3=2:8.39-13 libpdfbox-java=1:1.8.16-2 libperl5.30=5.30.3-4 libpipeline1=1.5.3-1 libpixman-1-0=0.36.0-1 libpmix-dev=3.2.0~rc1-4 libpmix2=3.2.0~rc1-4 libpng16-16=1.6.37-3 libpsm-infinipath1=3.3+20.604758e7-6+b1 libpsm2-2=11.2.185-1 libptexenc1=2020.20200327.54578-5 libpython3-stdlib=3.8.2-3 libpython3.8-minimal=3.8.6-1 libpython3.8-stdlib=3.8.6-1 libquadmath0=10.2.0-13 librdmacm1=31.0-1 libreadline8=8.0-4 libseccomp2=2.4.4-1 libselinux1=3.1-2 libsemanage-common=3.1-1 libsemanage1=3.1-1 libsepol1=3.1-1 libsigsegv2=2.12-2 libsm6=2:1.2.3-1 libsmartcols1=2.36-3+b1 libsqlite3-0=3.33.0-1 libssl1.1=1.1.1g-1 libstdc++-10-dev=10.2.0-13 libstdc++6=10.2.0-13 libsub-override-perl=0.09-2 libsynctex2=2020.20200327.54578-5 libsystemd0=246.6-1 libteckit0=2.5.10+ds1-3 libtexlua53=2020.20200327.54578-5 libtexluajit2=2020.20200327.54578-5 libtinfo6=6.2+20200918-1 libtool=2.4.6-14 libtsan0=10.2.0-13 libubsan1=10.2.0-13 libuchardet0=0.0.7-1 libucx0=1.9.0~rc1-2 libudev1=246.6-1 libunistring2=0.9.10-4 libuuid1=2.36-3+b1 libx11-6=2:1.6.12-1 libx11-data=2:1.6.12-1 libxau6=1:1.0.8-1+b2 libxaw7=2:1.0.13-1+b2 libxc-dev=4.3.4-2 libxc5=4.3.4-2 libxcb-render0=1.14-2 libxcb-shm0=1.14-2 libxcb1=1.14-2 libxdmcp6=1:1.1.2-3 libxext6=2:1.3.3-1+b2 libxi6=2:1.7.10-1 libxml2=2.9.10+dfsg-6 libxmu6=2:1.1.2-2+b3 libxnvctrl0=450.66-1 libxpm4=1:3.5.12-1 libxrender1=1:0.9.10-1 libxt6=1:1.2.0-1 libzstd1=1.4.5+dfsg-4 libzzip-0-13=0.13.62-3.2 linux-libc-dev=5.8.10-1 login=1:4.8.1-1 lsb-base=11.1.0 m4=1.4.18-4 make=4.3-4 man-db=2.9.3-2 mawk=1.3.4.20200120-2 mime-support=3.64 mpi-default-bin=1.13 mpi-default-dev=1.13 ncurses-base=6.2+20200918-1 ncurses-bin=6.2+20200918-1 node-jquery=3.5.1+dfsg-4 ocl-icd-libopencl1=2.2.12-4 openmpi-bin=4.0.5-5 openmpi-common=4.0.5-5 openssh-client=1:8.3p1-1 passwd=1:4.8.1-1 patch=2.7.6-6 perl=5.30.3-4 perl-base=5.30.3-4 perl-modules-5.30=5.30.3-4 pkg-config=0.29.2-1 po-debconf=1.0.21 preview-latex-style=12.2-1 python3=3.8.2-3 python3-minimal=3.8.2-3 python3.8=3.8.6-1 python3.8-minimal=3.8.6-1 readline-common=8.0-4 sed=4.7-1 sensible-utils=0.0.12+nmu1 sysvinit-utils=2.96-5 t1utils=1.41-4 tar=1.30+dfsg-7 tex-common=6.15 texlive-base=2020.20200925-1 texlive-binaries=2020.20200327.54578-5 texlive-latex-base=2020.20200925-1 texlive-latex-extra=2020.20200925-1 texlive-latex-recommended=2020.20200925-1 texlive-pictures=2020.20200925-1 ucf=3.0043 util-linux=2.36-3+b1 x11-common=1:7.7+20 xdg-utils=1.1.3-2 xz-utils=5.2.4-1+b1 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/20201004T083822Z/ 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 elkcode=6.3.2-2 && mkdir -p /build/elkcode-ewPBEm && dpkg-source --no-check -x /*.dsc /build/elkcode-ewPBEm/elkcode-6.3.2 && chown -R builduser:builduser /build/elkcode-ewPBEm" --customize-hook=chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/elkcode-ewPBEm/elkcode-6.3.2 && env DEB_BUILD_OPTIONS="parallel=4" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1601720210" dpkg-buildpackage -uc -a amd64 --build=any" --customize-hook=sync-out /build/elkcode-ewPBEm /tmp/elkcode-6.3.2-2jgj3oyjn bullseye /dev/null deb http://snapshot.notset.fr/archive/debian/20201004T083822Z 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.pgj9ZG0gkE 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.pgj9ZG0gkE Reading package lists... Building dependency tree... util-linux is already the newest version (2.36-3+b1). 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, 395 kB of additional disk space will be used. Get:1 http://snapshot.notset.fr/archive/debian/20201004T083822Z unstable/main amd64 libfakeroot amd64 1.25.2-1 [46.9 kB] Get:2 http://snapshot.notset.fr/archive/debian/20201004T083822Z unstable/main amd64 fakeroot amd64 1.25.2-1 [86.8 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 134 kB in 0s (892 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 ... 4582 files and directories currently installed.) Preparing to unpack .../libfakeroot_1.25.2-1_amd64.deb ... Unpacking libfakeroot:amd64 (1.25.2-1) ... Selecting previously unselected package fakeroot. Preparing to unpack .../fakeroot_1.25.2-1_amd64.deb ... Unpacking fakeroot (1.25.2-1) ... Setting up libfakeroot:amd64 (1.25.2-1) ... Setting up fakeroot (1.25.2-1) ... update-alternatives: using /usr/bin/fakeroot-sysv to provide /usr/bin/fakeroot (fakeroot) in auto mode Processing triggers for libc-bin (2.31-3) ... 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/20201004T083822Z/ unstable main' >> /etc/apt/sources.list && apt-get update"' exec /tmp/mmdebstrap.pgj9ZG0gkE Get:1 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm InRelease [81.6 kB] Hit:2 http://snapshot.notset.fr/archive/debian/20201004T083822Z 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 21s (1058 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.pgj9ZG0gkE I: running --customize-hook in shell: sh -c 'chroot "$1" env sh -c "apt-get source --only-source -d elkcode=6.3.2-2 && mkdir -p /build/elkcode-ewPBEm && dpkg-source --no-check -x /*.dsc /build/elkcode-ewPBEm/elkcode-6.3.2 && chown -R builduser:builduser /build/elkcode-ewPBEm"' exec /tmp/mmdebstrap.pgj9ZG0gkE Reading package lists... NOTICE: 'elkcode' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/debichem-team/elkcode.git Please use: git clone https://salsa.debian.org/debichem-team/elkcode.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 4151 kB of source archives. Get:1 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main elkcode 6.3.2-2 (dsc) [2039 B] Get:2 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main elkcode 6.3.2-2 (tar) [4138 kB] Get:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main elkcode 6.3.2-2 (diff) [11.0 kB] Fetched 4151 kB in 4s (1103 kB/s) Download complete and in download only mode W: Download is performed unsandboxed as root as file 'elkcode_6.3.2-2.dsc' couldn't be accessed by user '_apt'. - pkgAcquire::Run (13: Permission denied) dpkg-source: info: extracting elkcode in /build/elkcode-ewPBEm/elkcode-6.3.2 dpkg-source: info: unpacking elkcode_6.3.2.orig.tar.gz dpkg-source: info: unpacking elkcode_6.3.2-2.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying default_data_directory.patch dpkg-source: info: applying makeflags.patch dpkg-source: info: applying testsuite_quick.patch dpkg-source: info: applying makefile_clean.patch dpkg-source: info: applying perl_5_30_protex.patch I: running --customize-hook in shell: sh -c 'chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/elkcode-ewPBEm/elkcode-6.3.2 && env DEB_BUILD_OPTIONS="parallel=4" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1601720210" dpkg-buildpackage -uc -a amd64 --build=any"' exec /tmp/mmdebstrap.pgj9ZG0gkE dpkg-buildpackage: info: source package elkcode dpkg-buildpackage: info: source version 6.3.2-2 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 fakeroot debian/rules clean dh clean dh: warning: Compatibility levels before 10 are deprecated (level 8 in use) debian/rules override_dh_auto_clean make[1]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2' dh_auto_clean dh_auto_clean: warning: Compatibility levels before 10 are deprecated (level 8 in use) make -j1 distclean make[2]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2' Makefile:4: make.inc: No such file or directory make[2]: *** No rule to make target 'make.inc'. Stop. make[2]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2' dh_auto_clean: error: make -j1 distclean returned exit code 2 make[1]: [debian/rules:19: override_dh_auto_clean] Error 25 (ignored) rm -f make.inc make[1]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2' dh_clean dh_clean: warning: Compatibility levels before 10 are deprecated (level 8 in use) debian/rules build-arch dh build-arch dh: warning: Compatibility levels before 10 are deprecated (level 8 in use) dh_update_autotools_config -a dh_auto_configure -a dh_auto_configure: warning: Compatibility levels before 10 are deprecated (level 8 in use) debian/rules override_dh_auto_build make[1]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2' cat make.def make.inc.in > make.inc dh_auto_build dh_auto_build: warning: Compatibility levels before 10 are deprecated (level 8 in use) make -j1 make[2]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2' cd src; make all make[3]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2/src' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmpi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c libxc_funcs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c libxc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c libxcifc.f90 libxcifc.f90:385:9: 385 | integer j,k,id | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] libxcifc.f90:101:10: 101 | real(8) ta | 1 Warning: Unused variable ‘ta’ declared at (1) [-Wunused-variable] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modfxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moddftu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modrdm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modphonon.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modscdft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modtest.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modrandom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modstore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modvars.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modtddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modgw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modjx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modomp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mkl_stub.f90 mkl_stub.f90:8:42: 8 | subroutine mkl_set_num_threads(num_threads) | 1 Warning: Unused dummy argument ‘num_threads’ at (1) [-Wunused-dummy-argument] mkl_stub.f90:14:34: 14 | subroutine mkl_set_dynamic(dynamic) | 1 Warning: Unused dummy argument ‘dynamic’ at (1) [-Wunused-dummy-argument] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mkl_init.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oblas_stub.f90 oblas_stub.f90:8:47: 8 | subroutine openblas_set_num_threads(num_threads) | 1 Warning: Unused dummy argument ‘num_threads’ at (1) [-Wunused-dummy-argument] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oblas_init.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c blis_stub.f90 blis_stub.f90:8:49: 8 | subroutine bli_thread_set_num_threads(num_threads) | 1 Warning: Unused dummy argument ‘num_threads’ at (1) [-Wunused-dummy-argument] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c blis_init.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c w90_stub.f90 w90_stub.f90:10:31: 10 | num_atoms_loc,atom_symbols_loc,atoms_cart_loc, gamma_only_loc,spinors_loc, & | 1 Warning: Unused dummy argument ‘atom_symbols_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:10:46: 10 | num_atoms_loc,atom_symbols_loc,atoms_cart_loc, gamma_only_loc,spinors_loc, & | 1 Warning: Unused dummy argument ‘atoms_cart_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:13:43: 13 | proj_x_loc,proj_zona_loc,exclude_bands_loc,proj_s_loc,proj_s_qaxis_loc) | 1 Warning: Unused dummy argument ‘exclude_bands_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:10:62: 10 | num_atoms_loc,atom_symbols_loc,atoms_cart_loc, gamma_only_loc,spinors_loc, & | 1 Warning: Unused dummy argument ‘gamma_only_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:9:48: 9 | real_lattice_loc,recip_lattice_loc,kpt_latt_loc,num_bands_tot, & | 1 Warning: Unused dummy argument ‘kpt_latt_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:8:47: 8 | subroutine wannier_setup(seed__name,mp_grid_loc,num_kpts_loc, & | 1 Warning: Unused dummy argument ‘mp_grid_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:11:32: 11 | nntot_loc,nnlist_loc,nncell_loc,num_bands_loc,num_wann_loc, & | 1 Warning: Unused dummy argument ‘nncell_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:11:21: 11 | nntot_loc,nnlist_loc,nncell_loc,num_bands_loc,num_wann_loc, & | 1 Warning: Unused dummy argument ‘nnlist_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:11:10: 11 | nntot_loc,nnlist_loc,nncell_loc,num_bands_loc,num_wann_loc, & | 1 Warning: Unused dummy argument ‘nntot_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:11:46: 11 | nntot_loc,nnlist_loc,nncell_loc,num_bands_loc,num_wann_loc, & | 1 Warning: Unused dummy argument ‘num_bands_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:11:59: 11 | nntot_loc,nnlist_loc,nncell_loc,num_bands_loc,num_wann_loc, & | 1 Warning: Unused dummy argument ‘num_wann_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:12:25: 12 | proj_site_loc,proj_l_loc,proj_m_loc,proj_radial_loc,proj_z_loc, & | 1 Warning: Unused dummy argument ‘proj_l_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:12:36: 12 | proj_site_loc,proj_l_loc,proj_m_loc,proj_radial_loc,proj_z_loc, & | 1 Warning: Unused dummy argument ‘proj_m_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:12:52: 12 | proj_site_loc,proj_l_loc,proj_m_loc,proj_radial_loc,proj_z_loc, & | 1 Warning: Unused dummy argument ‘proj_radial_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:13:54: 13 | proj_x_loc,proj_zona_loc,exclude_bands_loc,proj_s_loc,proj_s_qaxis_loc) | 1 Warning: Unused dummy argument ‘proj_s_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:13:71: 13 | proj_x_loc,proj_zona_loc,exclude_bands_loc,proj_s_loc,proj_s_qaxis_loc) | 1 Warning: Unused dummy argument ‘proj_s_qaxis_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:12:14: 12 | proj_site_loc,proj_l_loc,proj_m_loc,proj_radial_loc,proj_z_loc, & | 1 Warning: Unused dummy argument ‘proj_site_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:13:11: 13 | proj_x_loc,proj_zona_loc,exclude_bands_loc,proj_s_loc,proj_s_qaxis_loc) | 1 Warning: Unused dummy argument ‘proj_x_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:12:63: 12 | proj_site_loc,proj_l_loc,proj_m_loc,proj_radial_loc,proj_z_loc, & | 1 Warning: Unused dummy argument ‘proj_z_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:13:25: 13 | proj_x_loc,proj_zona_loc,exclude_bands_loc,proj_s_loc,proj_s_qaxis_loc) | 1 Warning: Unused dummy argument ‘proj_zona_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:9:17: 9 | real_lattice_loc,recip_lattice_loc,kpt_latt_loc,num_bands_tot, & | 1 Warning: Unused dummy argument ‘real_lattice_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:9:35: 9 | real_lattice_loc,recip_lattice_loc,kpt_latt_loc,num_bands_tot, & | 1 Warning: Unused dummy argument ‘recip_lattice_loc’ at (1) [-Wunused-dummy-argument] w90_stub.f90:8:35: 8 | subroutine wannier_setup(seed__name,mp_grid_loc,num_kpts_loc, & | 1 Warning: Unused dummy argument ‘seed__name’ at (1) [-Wunused-dummy-argument] w90_stub.f90:10:74: 10 | num_atoms_loc,atom_symbols_loc,atoms_cart_loc, gamma_only_loc,spinors_loc, & | 1 Warning: Unused dummy argument ‘spinors_loc’ at (1) [-Wunused-dummy-argument] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfftifc_fftw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c projsbf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fsmooth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nfftifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c spline.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wsplint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wsplintp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splintwp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sphcover.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3frac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvsig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencfun.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfpack.f90 zfpack.f90:34:17: 23 | call dcopy(k,zfmt(:,ias),1,v(n+1),1) | 2 ...... 34 | call dcopy(k,v(n+1),1,zfmt(:,ias),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addlorbcnd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sortidx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengkvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pade.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pades.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfint0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genapwfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfcopy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagsh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genylmg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readfermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writechg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zflmconj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rminv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zminv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rlmrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotrflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ztorflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotzflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtlm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzrm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensfacgp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmctmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmctm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c axangsu2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mctm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mmct.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writefermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findnjcmax.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findscq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmllolo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olprad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findkpt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c forcek.f90 forcek.f90:36:52: 36 | complex(8), allocatable :: evecfv(:,:,:),evecsv(:,:) | ^ Warning: ‘evecsv.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] forcek.f90:36:52: Warning: ‘evecsv.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfvr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsym.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvbmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wigner3jf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wigner6j.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixbroyden.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zftrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensocfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getcfgq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wigner3j.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moke.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacrho.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacmag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradwfcr2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepresk.f90 oepresk.f90:181:50: 181 | call rzadd(npcmt(is),za,zfmt(:,ias),rfmt(:,ias)) | 1 Warning: Type mismatch in argument ‘zv’ at (1); passed COMPLEX(8) to REAL(8) oepresk.f90:183:30: 183 | call rzadd(ngtot,za,zfir,rfir) | 1 Warning: Type mismatch in argument ‘zv’ at (1); passed COMPLEX(8) to REAL(8) oepresk.f90:88:51: 88 | call rzadd(npc,z1,zfmt1,dvxmt(:,ias)) | 1 Warning: Type mismatch in argument ‘zv’ at (1); passed COMPLEX(8) to REAL(8) oepresk.f90:90:65: 90 | call rzadd(npc,z1,zvfmt1(:,idm),dbxmt(:,ias,idm)) | 1 Warning: Type mismatch in argument ‘zv’ at (1); passed COMPLEX(8) to REAL(8) oepresk.f90:28:40: 28 | complex(8), allocatable :: zvfmt2(:,:,:),zvfir2(:,:) | ^ Warning: ‘zvfmt2.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] oepresk.f90:28:52: 28 | complex(8), allocatable :: zvfmt2(:,:,:),zvfir2(:,:) | ^ Warning: ‘zvfir2.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] oepresk.f90:26:47: 26 | complex(8), allocatable :: zfmt1(:),zvfmt1(:,:) | ^ Warning: ‘zvfmt1.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepvcl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepvclk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dbxcplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writehmlbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmldbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmldbsek.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric_bse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genidxbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writewfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getwfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genexpmat.f90 genexpmat.f90:26:52: 26 | complex(8), allocatable :: evecsv1(:,:),evecsv2(:,:) | ^ Warning: ‘evecsv2.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] genexpmat.f90:26:52: Warning: ‘evecsv2.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] genexpmat.f90:26:39: 26 | complex(8), allocatable :: evecsv1(:,:),evecsv2(:,:) | ^ Warning: ‘evecsv1.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] genexpmat.f90:26:39: Warning: ‘evecsv1.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elnes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potefield.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eulerrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fermisurfbxsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symmetry.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymcrys.f90 findsymcrys.f90:200:0: 200 | v1(:)=atposl(:,1,1)-v0(:) | Warning: ‘v0[2]’ may be used uninitialized in this function [-Wmaybe-uninitialized] findsymcrys.f90:200:0: Warning: ‘v0[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] findsymcrys.f90:200:0: Warning: ‘v0[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymsite.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findprimcell.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c proj2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nonlinopt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vecplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfcrplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energykncr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnss.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeemd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeexpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hrmdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c reademd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfhkintp.f90 rfhkintp.f90:67:0: 67 | t2=(vhpl(1)-v0(1))*dble(ngridk(1)) | Warning: ‘v0[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] rfhkintp.f90:73:0: 73 | t2=(vhpl(2)-v0(2))*dble(ngridk(2)) | Warning: ‘v0[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] rfhkintp.f90:77:0: 77 | t2=(vhpl(3)-v0(3))*dble(ngridk(3)) | Warning: ‘v0[2]’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevsp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c torque.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ssfsmjx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wxcplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c effmass.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genlmirep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ssfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sstask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c spiralsc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genscss.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writespecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c exxengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c exxengyk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_c_tb09.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mae.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readstate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotaxang.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c axangrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatls.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c numlist.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbesseldm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvchi0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspchi0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vclcore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlxbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlxbsek.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeepsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putepsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c curden.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c curdenk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hflocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bdipole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c roteuler.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c lopzflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfvz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencore.f90 gencore.f90:41:37: 41 | real(8), allocatable :: br(:),fr(:,:) | ^ Warning: ‘fr.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] gencore.f90:41:37: Warning: ‘fr.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentau.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentauk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlrad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhonorm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olplolo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genshtmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c allatoms.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rtozflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rtozfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gauntyry.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fderiv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moment.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sctovec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c match.f90 match.f90:65:44: 65 | complex(8), allocatable :: ylmgp(:,:),b(:,:) | ^ Warning: ‘b.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] match.f90:65:44: Warning: ‘b.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeinfo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfpack.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gaunt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ztorfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfcmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelinen.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writekpts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c brzint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhocore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mtdmin.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atpstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtconj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkfsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhoplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c erf.f90 erf.f90:8:0: 8 | real(8) function erf(x) | Warning: ‘erf’ declared at (1) is also the name of an intrinsic. It can only be called via an explicit interface or if declared EXTERNAL. [-Wintrinsic-shadow] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegeom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c linengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bandstr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c closefiles.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writefsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factnm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c radnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c charge.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genrmesh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genapwlofr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wavefmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzrho.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potks.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbessel.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c clebgor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hermite.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findband.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genbs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencfrc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genws.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c chargemt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndstate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addbfsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initoep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c orthevsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fermisurf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findswidth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dos.f90 dos.f90:342:0: 342 | lm,elm(lm,ias) | Warning: ‘elm.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] dos.f90:342:0: Warning: ‘elm.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nuclei.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writesym.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zftzf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polynm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdirac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtftoc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtftoc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevalfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixlinear.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevalfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtpack.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtpack.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestrain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeforces.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mtv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3cross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mdet.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mtm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3vo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c curdenplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hartfock.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnhf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zpotclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genlofr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinpc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzfrm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengqrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writepmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelsj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writesf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rzfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjlgprmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gridsize.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sphcrd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeiad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c i3mtv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeeval.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c i3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c i3mdet.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genevfsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c timesec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixpack.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixerifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhoinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c maginit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rvfcross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energynn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinterp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomopt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ylmroty.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ylmrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gcd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_mp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_mp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_fd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_fd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_sq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_sq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_lr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_lr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mossbauer.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentpmae.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symveca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c massnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wavefcr.f90 wavefcr.f90:125:0: 125 | i2=i2+lmmaxo | Warning: ‘i2’ may be used uninitialized in this function [-Wmaybe-uninitialized] wavefcr.f90:124:0: 124 | i1=i1+lmmaxo | Warning: ‘i1’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradwf2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findngkmax.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c reciplat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genrlmv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putoccsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getoccsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c curlrvf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c latvstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c delevec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdiracint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rzfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genstrain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genstress.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestress.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rschrodint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixadapt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genffacgp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genidxlo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genpmatk.f90 genpmatk.f90:54:60: 54 | complex(8), allocatable :: gvmt(:,:),zfmt1(:,:),zfmt2(:,:,:) | ^ Warning: ‘zfmt2.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] genpmatk.f90:54:60: Warning: ‘zfmt2.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] genpmatk.f90:54:36: 54 | complex(8), allocatable :: gvmt(:,:),zfmt1(:,:),zfmt2(:,:,:) | ^ Warning: ‘gvmt.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] genpmatk.f90:54:36: Warning: ‘gvmt.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] genpmatk.f90:54:60: 54 | complex(8), allocatable :: gvmt(:,:),zfmt1(:,:),zfmt2(:,:,:) | ^ Warning: ‘zfmt2.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] genpmatk.f90:54:47: 54 | complex(8), allocatable :: gvmt(:,:),zfmt1(:,:),zfmt2(:,:,:) | ^ Warning: ‘zfmt1.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] genpmatk.f90:54:47: Warning: ‘zfmt1.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegclq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevalsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genppts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c force.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vecfbz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfirsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclgq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymlat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c grad2rfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findqpt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zftwfir.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrfir.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvfir.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevalsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjlgpr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init4.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putkmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getkmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genkmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genexpmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c epsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c straingkq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genylmv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nesting.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fsmbfield.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeqpts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rndevsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsvp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genolpq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentaucr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcmt.f90 potxcmt.f90:130:0: 130 | t1=sqrt(mag(i,1)**2+mag(i,2)**2+mag(i,3)**2) | Warning: ‘mag.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:32: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: ‘mag.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:32: Warning: ‘mag.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:41: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: ‘bxc.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:41: Warning: ‘bxc.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:41: Warning: ‘bxc.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:38:37: 38 | real(8), allocatable :: wx(:),wxup(:),wxdn(:) | ^ Warning: ‘wxup.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:38:29: 38 | real(8), allocatable :: wx(:),wxup(:),wxdn(:) | ^ Warning: ‘wx.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:31:37: 31 | real(8), allocatable :: vx(:),vxup(:),vxdn(:) | ^ Warning: ‘vxup.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:31:45: 31 | real(8), allocatable :: vx(:),vxup(:),vxdn(:) | ^ Warning: ‘vxdn.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:31:29: 31 | real(8), allocatable :: vx(:),vxup(:),vxdn(:) | ^ Warning: ‘vx.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:50: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: ‘tau.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:50: Warning: ‘tau.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcir.f90 potxcir.f90:25:37: 25 | real(8), allocatable :: vx(:),vxup(:),vxdn(:) | ^ Warning: ‘vxup.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcir.f90:25:45: 25 | real(8), allocatable :: vx(:),vxup(:),vxdn(:) | ^ Warning: ‘vxdn.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmmtsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zpotcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c testcheck.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeefg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnbf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phdelete.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatch.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phscdelete.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c doccupy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengqvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdyn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dyntask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c drhomagsh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendvsig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrhomt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendcfun.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotks.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotxc.f90 dpotxc.f90:16:44: 16 | complex(8), allocatable :: dvmt(:),dbmt(:,:),zfmt(:) | ^ Warning: ‘dbmt.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] dpotxc.f90:16:44: Warning: ‘dbmt.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dwavefmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phmixpack.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlaa.f90 dhmlaa.f90:27:42: 27 | complex(8), allocatable :: a2(:,:),b2(:,:) | ^ Warning: ‘b2.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] dhmlaa.f90:27:42: Warning: ‘b2.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] dhmlaa.f90:27:42: Warning: ‘b2.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] dhmlaa.f90:27:34: 27 | complex(8), allocatable :: a2(:,:),b2(:,:) | ^ Warning: ‘a2.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] dhmlaa.f90:27:34: Warning: ‘a2.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c deveqnfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmllolo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c drhomagk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvsmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dforce.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlrad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendwfsv.f90 gendwfsv.f90:32:37: 32 | complex(8), allocatable :: wfmt1(:,:),wfmt2(:),dwfmt1(:,:) | ^ Warning: ‘wfmt1.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] gendwfsv.f90:32:58: 32 | complex(8), allocatable :: wfmt1(:,:),wfmt2(:),dwfmt1(:,:) | ^ Warning: ‘dwfmt1.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dforcek.f90 dforcek.f90:26:38: 26 | complex(8), allocatable :: evecsv(:,:),devecsv(:,:) | ^ Warning: ‘evecsv.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] dforcek.f90:26:38: Warning: ‘evecsv.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] dforcek.f90:26:51: 26 | complex(8), allocatable :: evecsv(:,:),devecsv(:,:) | ^ Warning: ‘devecsv.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] dforcek.f90:26:51: Warning: ‘devecsv.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynqtor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynevs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phonon.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynrtoq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaaq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mcmillan.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genephmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaloq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaaq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaloq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengkqvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genmcph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putdevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getdevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putdevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getdevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phononsc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genscph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phdisp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynsymapp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynsym.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynev.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phdos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sumrule.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writephn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegamma.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readgamma.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phlwidth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c alpha2f.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelambda.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ephcouple.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eliashberg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phscdvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readalpha2f.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendsocfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pzca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pwca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_am05.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_xalpha.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_wc06.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c x_wc06.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c x_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c c_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c c_pbe_gcor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_vbh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fxc_pwca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genveedu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedftu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readalphadu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fyukawa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fyukawa0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfdufr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energyfdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeefdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zbessela.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zbesselb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findlambdadu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readfdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetmdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetm2du.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetm3du.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmtotm2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmtotm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm2todm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm3todm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pottm2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pottm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm2pol.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm3pol.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ftmfield.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvclijji.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdkdc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmminc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmvaryc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdedc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmenergy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmengyxc.f90 rdmengyxc.f90:73:0: 73 | engyx=engyx-t2*vclijji(ist2,ist1,ik2) | Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmwritededn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmwriteengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmminn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmvaryn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdedn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdexcdn.f90 rdmdexcdn.f90:77:0: 77 | dedn(ist2,ik2)=dedn(ist2,ik2)+t2*vclijji(ist2,ist1,ik2) | Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvclijjk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getvclijji.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getvclijjk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevclijji.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevclijjk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdexcdc.f90 rdmdexcdc.f90:80:0: 80 | vclijjk(ist1,ist3,ist4,ik2) | Warning: ‘t2’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdtsdn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmentropy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmeval.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwrhomag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwdmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ksinvert.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwefermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dysonr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwlocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putgwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getgwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeigw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polefit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwgw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwchgk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwsefmk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwspecf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegwsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c acgwse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c minf_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fmin_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c acpole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfpole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwbandstr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gtwsum.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwscrho.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddftlr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potkst.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhmlt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c timestep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetddos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeafpdt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readtimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readafieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvfxc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfxcr.f90 genfxcr.f90:18:57: 18 | real(8), allocatable :: rho(:),rhoup(:),rhodn(:),mag(:,:) | ^ Warning: ‘mag.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] genfxcr.f90:18:57: Warning: ‘mag.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdtemp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdlsj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspfxcr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvfxcg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdbackup.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddftsplr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspfxcg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genafieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric_tdrt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readcurrent.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeinfou.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemomrmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevalu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c chargeu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupyulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c momentu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addbfsmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixpacku.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potuinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vclqinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writechgrmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfzfftq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readstulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvbmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndstulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genkpakq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomaguk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeengyu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhmlu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potcoulu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potksu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potefieldu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhouplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potuplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhocoreu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c maguplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevclr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readvclr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90win.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90eig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c setupw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90mmn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90spn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putephmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getephmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndsteph.f90 gndsteph.f90:63:2: 63 | 10 continue | 1 Warning: Label 10 at (1) defined but not used [-Wunused-label] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqneph.f90 eveqneph.f90:6:22: 6 | subroutine eveqneph(ik) | 1 Warning: Unused dummy argument ‘ik’ at (1) [-Wunused-dummy-argument] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o elk modmain.o modmpi.o libxc_funcs.o libxc.o libxcifc.o modxcifc.o modfxcifc.o moddftu.o modrdm.o modphonon.o modscdft.o modtest.o modrandom.o modstore.o modpw.o modvars.o modtddft.o modgw.o modulr.o modjx.o modomp.o mkl_stub.o mkl_init.o oblas_stub.o oblas_init.o blis_stub.o blis_init.o w90_stub.o modw90.o zfftifc_fftw.o elk.o zbsht.o zfsht.o rbsht.o rfsht.o projsbf.o fsmooth.o nfftifc.o rfinp.o splint.o spline.o wsplint.o wsplintp.o splintwp.o sphcover.o r3frac.o genvsig.o gencfun.o zfpack.o addlorbcnd.o rfint.o sortidx.o gengkvec.o pade.o pades.o rfint0.o zfinp.o symrvf.o genapwfr.o rfcopy.o rhomagsh.o genylmg.o olpaa.o readfermi.o factr.o writechg.o zflmconj.o rminv.o zminv.o rlmrot.o rotrflm.o ztorflm.o rotzflm.o rfmtlm.o genzrm.o gensfacgp.o zmctmu.o zmctm.o hmlfv.o olpfv.o axangsu2.o checkmt.o symrf.o z2mm.o z2mctm.o z2mmct.o writefermi.o findnjcmax.o findscq.o plot1d.o plot2d.o plot3d.o hmllolo.o olprad.o occupy.o findkpt.o zfmtint.o rotrfmt.o forcek.o eveqnfvr.o findsym.o genvbmatk.o wigner3jf.o wigner6j.o mixbroyden.o zftrf.o gensocfr.o getcfgq.o wigner3j.o moke.o sfacinit.o sfacrho.o sfacmag.o gradwfcr2.o symrvfmt.o oepmain.o oepresk.o oepvcl.o oepvclk.o dbxcplot.o writehmlbse.o hmldbse.o hmldbsek.o dielectric_bse.o genidxbse.o writeevbse.o genwfpw.o writewfpw.o getwfpw.o genexpmat.o elnes.o potefield.o eulerrot.o fermisurfbxsf.o symmetry.o findsymcrys.o findsymsite.o plotpt1d.o writedos.o findprimcell.o proj2d.o nonlinopt.o vecplot.o wfcrplot.o energykncr.o eveqnss.o gendmatk.o gensdmat.o ggamt_1.o ggair_1.o ggamt_sp_1.o ggair_sp_1.o ggamt_2a.o ggair_2a.o ggamt_2b.o ggair_2b.o ggamt_sp_2a.o ggair_sp_2a.o ggamt_sp_2b.o ggair_sp_2b.o genspecies.o writeemd.o writeexpmat.o rotdmat.o hrmdmat.o reademd.o emdplot.o rfhkintp.o emdplot3d.o emdplot2d.o emdplot1d.o plotpt3d.o plotpt2d.o writeevsp.o torque.o ssfsmjx.o wxcplot.o effmass.o genlmirep.o ssfext.o sstask.o spiralsc.o genscss.o genfspecies.o writespecies.o exxengy.o exxengyk.o xc_c_tb09.o elfplot.o potplot.o mae.o writestate.o readstate.o rotaxang.o axangrot.o dmatls.o gendmat.o numlist.o sbesseldm.o genvchi0.o genspchi0.o vclcore.o hmlxbse.o hmlxbsek.o genvmatk.o writeepsinv.o putepsinv.o curden.o curdenk.o hflocal.o dielectric.o bdipole.o roteuler.o lopzflm.o eveqnfvz.o rhomag.o hmlaa.o hmlalo.o gencore.o gentau.o gentauk.o hmlistl.o olpistl.o gengclg.o hmlrad.o rhonorm.o rfmtsm.o olplolo.o genshtmat.o allatoms.o rtozflm.o rtozfmt.o gauntyry.o fderiv.o moment.o sctovec.o match.o writeinfo.o rfpack.o gaunt.o readinput.o ztorfmt.o putevecfv.o zfmtinp.o zfcmtinp.o writelinen.o writekpts.o rfmtinp.o brzint.o rhocore.o writelat.o mtdmin.o atpstep.o potcoul.o zfmtconj.o symrfmt.o putpmat.o eveqnz.o olpalo.o checkfsm.o rhoplot.o potnucl.o potxc.o erf.o gradzf.o writegeom.o linengy.o bandstr.o gengvc.o gengclq.o closefiles.o writefsm.o eveqn.o rhomagk.o factnm.o atom.o radnucl.o charge.o genrmesh.o genapwlofr.o wavefmt.o genzrho.o potks.o sbessel.o clebgor.o hermite.o findband.o genbs.o gencfrc.o genws.o chargemt.o gndstate.o addbfsm.o initoep.o orthevsv.o fermisurf.o findswidth.o gradrf.o dos.o gradzfmt.o nuclei.o writesym.o zftzf.o polynm.o rdirac.o zfmtftoc.o rfmtftoc.o gradrfmt.o genzvclmt.o getevalfv.o mixlinear.o gengvec.o putevalfv.o rfmtpack.o zfmtpack.o writestrain.o writeforces.o r3mv.o r3mtv.o r3cross.o r3minv.o r3mdet.o r3mm.o r3mtm.o r3mmt.o r3vo.o symvec.o curdenplot.o hartfock.o eveqnhf.o zpotclmt.o genlofr.o rfinpc.o eveqnit.o genzfrm.o gengqrf.o writepmat.o genwfsv.o writelsj.o writesf.o rzfinp.o genjlgprmt.o gridsize.o sphcrd.o writeiad.o readspecies.o i3mtv.o writeeval.o i3minv.o i3mdet.o genevfsv.o getpmat.o timesec.o mixpack.o mixerifc.o symmat.o rhoinit.o maginit.o rvfcross.o eveqnfv.o energynn.o rfinterp.o rfplot.o geomopt.o ylmroty.o ylmrot.o gcd.o sdelta.o stheta.o sdelta_mp.o stheta_mp.o sdelta_fd.o stheta_fd.o sdelta_sq.o stheta_sq.o sdelta_lr.o stheta_lr.o mossbauer.o gentpmae.o symveca.o massnucl.o wavefcr.o gradwf2.o geomplot.o findngkmax.o reciplat.o genrlmv.o genvmat.o putoccsv.o getoccsv.o curlrvf.o latvstep.o energy.o delevec.o rdiracint.o rzfmtinp.o genstrain.o genstress.o writestress.o rschrodint.o mixadapt.o genffacgp.o genidxlo.o writeengy.o genpmatk.o putevecsv.o getevecsv.o writegclq.o putevalsv.o genppts.o force.o vecfbz.o rfirsm.o gengclgq.o findsymlat.o grad2rfmt.o findqpt.o zftwfir.o symrfir.o symrvfir.o getevalsv.o genjlgpr.o init0.o init1.o init2.o init3.o init4.o genpmat.o putkmat.o getkmat.o genkmat.o genexpmt.o epsinv.o getevecfv.o zfmtctof.o wfplot.o straingkq.o symdmat.o genylmv.o nesting.o eveqnsv.o fsmbfield.o writeqpts.o writemom.o rndevsv.o genwfsvp.o genolpq.o gensmatk.o gentaucr.o potxcmt.o potxcir.o genvmmtsv.o zpotcoul.o genhvec.o rfmtctof.o testcheck.o writeefg.o eveqnbf.o zfplot.o phdelete.o dmatch.o phscdelete.o doccupy.o writedvs.o gengqvec.o readdyn.o dyntask.o drhomagsh.o gendvsig.o gradrhomt.o gendcfun.o dpotks.o dpotxc.o dwavefmt.o dhmlistl.o phmixpack.o dhmlaa.o deveqnfv.o dolpalo.o dhmlalo.o dhmllolo.o dpotcoul.o drhomagk.o gengvsmt.o dforce.o dhmlrad.o dolpistl.o gendwfsv.o dforcek.o dynqtor.o dynevs.o phonon.o dynrtoq.o hmlaaq.o mcmillan.o genephmat.o dolpaa.o hmlaloq.o olpaaq.o olpaloq.o gengkqvec.o genmcph.o putdevecfv.o getdevecfv.o putdevecsv.o getdevecsv.o phononsc.o genscph.o phdisp.o dynsymapp.o dynsym.o dynev.o phdos.o sumrule.o writephn.o phfext.o writegamma.o readgamma.o phlwidth.o alpha2f.o writelambda.o ephcouple.o eliashberg.o phscdvs.o readdvs.o readalpha2f.o gendsocfr.o xc_pzca.o xc_pwca.o xc_pbe.o xc_am05.o xc_xalpha.o xc_wc06.o x_wc06.o x_pbe.o c_pbe.o c_pbe_gcor.o xc_vbh.o fxc_pwca.o gendmatmt.o genveedu.o genvmatmt.o writedftu.o readalphadu.o fyukawa.o fyukawa0.o genfdufr.o energyfdu.o writeefdu.o zbessela.o zbesselb.o readdmatmt.o genfdu.o findlambdadu.o readfdu.o writetmdu.o writetm2du.o writetm3du.o dmtotm2.o dmtotm3.o tm2todm.o tm3todm.o pottm2.o pottm3.o tm2pol.o tm3pol.o gendmftm.o ftmfield.o writeftm.o genvclijji.o rdmft.o rdmdkdc.o rdmminc.o rdmvaryc.o rdmdedc.o rdmenergy.o rdmengyxc.o rdmwritededn.o rdmwriteengy.o rdmminn.o rdmvaryn.o rdmdedn.o rdmdexcdn.o genvclijjk.o getvclijji.o getvclijjk.o writevclijji.o writevclijjk.o rdmdexcdc.o rdmdtsdn.o rdmentropy.o rdmeval.o gwrhomag.o gwdmat.o gwdmatk.o ksinvert.o gwefermi.o dysonr.o gwlocal.o gwsefm.o putgwsefm.o getgwsefm.o writeigw.o polefit.o genwgw.o gwchgk.o gwsefmk.o gwspecf.o writegwsf.o acgwse.o minf_nm.o fmin_nm.o acpole.o zfpole.o gwbandstr.o gtwsum.o gwscrho.o tddftlr.o potkst.o genhmlt.o timestep.o writetddos.o gentimes.o writeafpdt.o writetimes.o readtimes.o readafieldt.o tddft.o genvfxc.o genfxcr.o tdtemp.o writetdlsj.o genspfxcr.o genvfxcg.o tdbackup.o tddftsplr.o genspfxcg.o genafieldt.o writetddft.o dielectric_tdrt.o readcurrent.o writeinfou.o writemomrmt.o writeevalu.o chargeu.o writestulr.o eveqnulr.o occupyulr.o momentu.o addbfsmu.o mixpacku.o potuinit.o vclqinit.o writechgrmt.o rfzfftq.o readstulr.o genzvmatk.o genzvbmatk.o gndstulr.o genkpakq.o rhomaguk.o writeengyu.o genhmlu.o initulr.o potcoulu.o potksu.o potxcu.o rhomagq.o potefieldu.o plotulr.o plotu1d.o plotu2d.o plotu3d.o rhouplot.o potuplot.o rhocoreu.o maguplot.o writevclr.o readvclr.o initw90.o writew90.o writew90win.o writew90eig.o setupw90.o writew90mmn.o writew90spn.o putephmat.o getephmat.o gndsteph.o eveqneph.o -llapack -lblas `pkg-config --cflags --libs fftw3` \ `pkg-config --cflags --libs libxc` -lxcf90 make[3]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2/src' cd src/eos; make make[3]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2/src/eos' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pveos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getedata.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fitdata.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c output.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c minf_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fmin_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o eos modmain.o eos.o eveos.o pveos.o readinput.o getedata.o fitdata.o output.o minf_nm.o fmin_nm.o make[3]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2/src/eos' cd src/spacegroup; make make[3]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2/src/spacegroup' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c main.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencrystal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sgsymb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzgen.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengroup.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzeq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzmul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegeom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findprimcell.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3frac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3cross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o spacegroup modmain.o main.o readinput.o gencrystal.o sgsymb.o seitzgen.o gengroup.o seitzeq.o seitzmul.o writegeom.o geomplot.o findprimcell.o r3frac.o r3mv.o r3cross.o r3minv.o r3mm.o make[3]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2/src/spacegroup' make[2]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2' (cd src; /usr/bin/make doc) make[2]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2/src' rm -f elk.aux elk.bbl elk.blg elk.log elk.pdf elk.tex elk.toc elk.lst ls modmain.f90 modmpi.f90 libxc_funcs.f90 libxc.f90 libxcifc.f90 modxcifc.f90 modfxcifc.f90 moddftu.f90 modrdm.f90 modphonon.f90 modscdft.f90 modtest.f90 modrandom.f90 modstore.f90 modpw.f90 modvars.f90 modtddft.f90 modgw.f90 modulr.f90 modjx.f90 modomp.f90 mkl_stub.f90 mkl_init.f90 oblas_stub.f90 oblas_init.f90 blis_stub.f90 blis_init.f90 w90_stub.f90 modw90.f90 zbsht.f90 zfsht.f90 rbsht.f90 rfsht.f90 projsbf.f90 fsmooth.f90 nfftifc.f90 rfinp.f90 splint.f90 spline.f90 wsplint.f90 wsplintp.f90 splintwp.f90 sphcover.f90 r3frac.f90 genvsig.f90 gencfun.f90 zfpack.f90 addlorbcnd.f90 rfint.f90 sortidx.f90 gengkvec.f90 pade.f90 pades.f90 rfint0.f90 zfinp.f90 symrvf.f90 genapwfr.f90 rfcopy.f90 rhomagsh.f90 genylmg.f90 olpaa.f90 readfermi.f90 factr.f90 writechg.f90 zflmconj.f90 rminv.f90 zminv.f90 rlmrot.f90 rotrflm.f90 ztorflm.f90 rotzflm.f90 rfmtlm.f90 genzrm.f90 gensfacgp.f90 zmctmu.f90 zmctm.f90 hmlfv.f90 olpfv.f90 axangsu2.f90 checkmt.f90 symrf.f90 z2mm.f90 z2mctm.f90 z2mmct.f90 writefermi.f90 findnjcmax.f90 findscq.f90 plot1d.f90 plot2d.f90 plot3d.f90 hmllolo.f90 olprad.f90 occupy.f90 findkpt.f90 zfmtint.f90 rotrfmt.f90 forcek.f90 eveqnfvr.f90 findsym.f90 genvbmatk.f90 wigner3jf.f90 wigner6j.f90 mixbroyden.f90 zftrf.f90 gensocfr.f90 getcfgq.f90 wigner3j.f90 moke.f90 sfacinit.f90 sfacrho.f90 sfacmag.f90 gradwfcr2.f90 symrvfmt.f90 oepmain.f90 oepresk.f90 oepvcl.f90 oepvclk.f90 dbxcplot.f90 writehmlbse.f90 hmldbse.f90 hmldbsek.f90 dielectric_bse.f90 genidxbse.f90 writeevbse.f90 genwfpw.f90 writewfpw.f90 getwfpw.f90 genexpmat.f90 elnes.f90 potefield.f90 eulerrot.f90 fermisurfbxsf.f90 symmetry.f90 findsymcrys.f90 findsymsite.f90 plotpt1d.f90 writedos.f90 findprimcell.f90 proj2d.f90 nonlinopt.f90 vecplot.f90 wfcrplot.f90 energykncr.f90 eveqnss.f90 gendmatk.f90 gensdmat.f90 ggamt_1.f90 ggair_1.f90 ggamt_sp_1.f90 ggair_sp_1.f90 ggamt_2a.f90 ggair_2a.f90 ggamt_2b.f90 ggair_2b.f90 ggamt_sp_2a.f90 ggair_sp_2a.f90 ggamt_sp_2b.f90 ggair_sp_2b.f90 genspecies.f90 writeemd.f90 writeexpmat.f90 rotdmat.f90 hrmdmat.f90 reademd.f90 emdplot.f90 rfhkintp.f90 emdplot3d.f90 emdplot2d.f90 emdplot1d.f90 plotpt3d.f90 plotpt2d.f90 writeevsp.f90 torque.f90 ssfsmjx.f90 wxcplot.f90 effmass.f90 genlmirep.f90 ssfext.f90 sstask.f90 spiralsc.f90 genscss.f90 genfspecies.f90 writespecies.f90 exxengy.f90 exxengyk.f90 xc_c_tb09.f90 elfplot.f90 potplot.f90 mae.f90 writestate.f90 readstate.f90 rotaxang.f90 axangrot.f90 dmatls.f90 gendmat.f90 numlist.f90 sbesseldm.f90 genvchi0.f90 genspchi0.f90 vclcore.f90 hmlxbse.f90 hmlxbsek.f90 genvmatk.f90 writeepsinv.f90 putepsinv.f90 curden.f90 curdenk.f90 hflocal.f90 dielectric.f90 bdipole.f90 roteuler.f90 lopzflm.f90 eveqnfvz.f90 rhomag.f90 hmlaa.f90 hmlalo.f90 gencore.f90 gentau.f90 gentauk.f90 hmlistl.f90 olpistl.f90 gengclg.f90 hmlrad.f90 rhonorm.f90 rfmtsm.f90 olplolo.f90 genshtmat.f90 allatoms.f90 rtozflm.f90 rtozfmt.f90 gauntyry.f90 fderiv.f90 moment.f90 sctovec.f90 match.f90 writeinfo.f90 rfpack.f90 gaunt.f90 readinput.f90 ztorfmt.f90 putevecfv.f90 zfmtinp.f90 zfcmtinp.f90 writelinen.f90 writekpts.f90 rfmtinp.f90 brzint.f90 rhocore.f90 writelat.f90 mtdmin.f90 atpstep.f90 potcoul.f90 zfmtconj.f90 symrfmt.f90 putpmat.f90 eveqnz.f90 olpalo.f90 checkfsm.f90 rhoplot.f90 potnucl.f90 potxc.f90 erf.f90 gradzf.f90 writegeom.f90 linengy.f90 bandstr.f90 gengvc.f90 gengclq.f90 closefiles.f90 writefsm.f90 eveqn.f90 rhomagk.f90 factnm.f90 atom.f90 radnucl.f90 charge.f90 genrmesh.f90 genapwlofr.f90 wavefmt.f90 genzrho.f90 potks.f90 sbessel.f90 clebgor.f90 hermite.f90 findband.f90 genbs.f90 gencfrc.f90 genws.f90 chargemt.f90 gndstate.f90 addbfsm.f90 initoep.f90 orthevsv.f90 fermisurf.f90 findswidth.f90 gradrf.f90 dos.f90 gradzfmt.f90 nuclei.f90 writesym.f90 zftzf.f90 polynm.f90 rdirac.f90 zfmtftoc.f90 rfmtftoc.f90 gradrfmt.f90 genzvclmt.f90 getevalfv.f90 mixlinear.f90 gengvec.f90 putevalfv.f90 rfmtpack.f90 zfmtpack.f90 writestrain.f90 writeforces.f90 r3mv.f90 r3mtv.f90 r3cross.f90 r3minv.f90 r3mdet.f90 r3mm.f90 r3mtm.f90 r3mmt.f90 r3vo.f90 symvec.f90 curdenplot.f90 hartfock.f90 eveqnhf.f90 zpotclmt.f90 genlofr.f90 rfinpc.f90 eveqnit.f90 genzfrm.f90 gengqrf.f90 writepmat.f90 genwfsv.f90 writelsj.f90 writesf.f90 rzfinp.f90 genjlgprmt.f90 gridsize.f90 sphcrd.f90 writeiad.f90 readspecies.f90 i3mtv.f90 writeeval.f90 i3minv.f90 i3mdet.f90 genevfsv.f90 getpmat.f90 timesec.f90 mixpack.f90 mixerifc.f90 symmat.f90 rhoinit.f90 maginit.f90 rvfcross.f90 eveqnfv.f90 energynn.f90 rfinterp.f90 rfplot.f90 geomopt.f90 ylmroty.f90 ylmrot.f90 gcd.f90 sdelta.f90 stheta.f90 sdelta_mp.f90 stheta_mp.f90 sdelta_fd.f90 stheta_fd.f90 sdelta_sq.f90 stheta_sq.f90 sdelta_lr.f90 stheta_lr.f90 mossbauer.f90 gentpmae.f90 symveca.f90 massnucl.f90 wavefcr.f90 gradwf2.f90 geomplot.f90 findngkmax.f90 reciplat.f90 genrlmv.f90 genvmat.f90 putoccsv.f90 getoccsv.f90 curlrvf.f90 latvstep.f90 energy.f90 delevec.f90 rdiracint.f90 rzfmtinp.f90 genstrain.f90 genstress.f90 writestress.f90 rschrodint.f90 mixadapt.f90 genffacgp.f90 genidxlo.f90 writeengy.f90 genpmatk.f90 putevecsv.f90 getevecsv.f90 writegclq.f90 putevalsv.f90 genppts.f90 force.f90 vecfbz.f90 rfirsm.f90 gengclgq.f90 findsymlat.f90 grad2rfmt.f90 findqpt.f90 zftwfir.f90 symrfir.f90 symrvfir.f90 getevalsv.f90 genjlgpr.f90 init0.f90 init1.f90 init2.f90 init3.f90 init4.f90 genpmat.f90 putkmat.f90 getkmat.f90 genkmat.f90 genexpmt.f90 epsinv.f90 getevecfv.f90 zfmtctof.f90 wfplot.f90 straingkq.f90 symdmat.f90 genylmv.f90 nesting.f90 eveqnsv.f90 fsmbfield.f90 writeqpts.f90 writemom.f90 rndevsv.f90 genwfsvp.f90 genolpq.f90 gensmatk.f90 gentaucr.f90 potxcmt.f90 potxcir.f90 genvmmtsv.f90 zpotcoul.f90 genhvec.f90 rfmtctof.f90 testcheck.f90 writeefg.f90 eveqnbf.f90 zfplot.f90 xc_pzca.f90 xc_pwca.f90 xc_pbe.f90 xc_am05.f90 xc_xalpha.f90 xc_wc06.f90 x_wc06.f90 x_pbe.f90 c_pbe.f90 c_pbe_gcor.f90 xc_vbh.f90 fxc_pwca.f90 phdelete.f90 dmatch.f90 phscdelete.f90 doccupy.f90 writedvs.f90 gengqvec.f90 readdyn.f90 dyntask.f90 drhomagsh.f90 gendvsig.f90 gradrhomt.f90 gendcfun.f90 dpotks.f90 dpotxc.f90 dwavefmt.f90 dhmlistl.f90 phmixpack.f90 dhmlaa.f90 deveqnfv.f90 dolpalo.f90 dhmlalo.f90 dhmllolo.f90 dpotcoul.f90 drhomagk.f90 gengvsmt.f90 dforce.f90 dhmlrad.f90 dolpistl.f90 gendwfsv.f90 dforcek.f90 dynqtor.f90 dynevs.f90 phonon.f90 dynrtoq.f90 hmlaaq.f90 mcmillan.f90 genephmat.f90 dolpaa.f90 hmlaloq.f90 olpaaq.f90 olpaloq.f90 gengkqvec.f90 genmcph.f90 putdevecfv.f90 getdevecfv.f90 putdevecsv.f90 getdevecsv.f90 phononsc.f90 genscph.f90 phdisp.f90 dynsymapp.f90 dynsym.f90 dynev.f90 phdos.f90 sumrule.f90 writephn.f90 phfext.f90 writegamma.f90 readgamma.f90 phlwidth.f90 alpha2f.f90 writelambda.f90 ephcouple.f90 eliashberg.f90 phscdvs.f90 readdvs.f90 readalpha2f.f90 gendsocfr.f90 gendmatmt.f90 genveedu.f90 genvmatmt.f90 writedftu.f90 readalphadu.f90 fyukawa.f90 fyukawa0.f90 genfdufr.f90 energyfdu.f90 writeefdu.f90 zbessela.f90 zbesselb.f90 readdmatmt.f90 genfdu.f90 findlambdadu.f90 readfdu.f90 writetmdu.f90 writetm2du.f90 writetm3du.f90 dmtotm2.f90 dmtotm3.f90 tm2todm.f90 tm3todm.f90 pottm2.f90 pottm3.f90 tm2pol.f90 tm3pol.f90 gendmftm.f90 ftmfield.f90 writeftm.f90 \ genvclijji.f90 rdmft.f90 rdmdkdc.f90 rdmminc.f90 rdmvaryc.f90 rdmdedc.f90 rdmenergy.f90 rdmengyxc.f90 rdmwritededn.f90 rdmwriteengy.f90 rdmminn.f90 rdmvaryn.f90 rdmdedn.f90 rdmdexcdn.f90 genvclijjk.f90 getvclijji.f90 getvclijjk.f90 writevclijji.f90 writevclijjk.f90 rdmdexcdc.f90 rdmdtsdn.f90 rdmentropy.f90 rdmeval.f90 tddftlr.f90 potkst.f90 genhmlt.f90 timestep.f90 writetddos.f90 gentimes.f90 writeafpdt.f90 writetimes.f90 readtimes.f90 readafieldt.f90 tddft.f90 genvfxc.f90 genfxcr.f90 tdtemp.f90 writetdlsj.f90 genspfxcr.f90 genvfxcg.f90 tdbackup.f90 tddftsplr.f90 genspfxcg.f90 genafieldt.f90 writetddft.f90 dielectric_tdrt.f90 readcurrent.f90 > elk.lst ./protex -F -s elk.f90 $(cat elk.lst) > elk.tex pdflatex elk;pdflatex elk;pdflatex elk This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2020-02-02> patch level 5 L3 programming layer <2020-09-24> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2019/12/20 v1.4l Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty)) (/usr/share/texlive/texmf-dist/tex/generic/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/letltxmacro/letltxmacro.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.sty) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/generic/atbegshi/atbegshi.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/atveryend/atveryend.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) No file elk.aux. (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] [2] [3] [4] [5] Overfull \hbox (14.77765pt too wide) in paragraph at lines 294--294 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [6] [7] [8] [9] [10] [11] [12] [13] Overfull \hbox (0.95221pt too wide) in paragraph at lines 653--657 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1460--1463 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [31] [32] [33] [34] Underfull \hbox (badness 10000) in paragraph at lines 1660--1661 Overfull \hbox (26.27502pt too wide) in paragraph at lines 1684--1684 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1702--1702 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] [35] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1702--1702 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1703--1704 Underfull \hbox (badness 10000) in paragraph at lines 1727--1728 [36] Underfull \hbox (badness 10000) in paragraph at lines 1755--1756 Underfull \hbox (badness 10000) in paragraph at lines 1777--1778 Underfull \hbox (badness 10000) in paragraph at lines 1800--1801 [37] Underfull \hbox (badness 10000) in paragraph at lines 1836--1837 [38] Underfull \hbox (badness 10000) in paragraph at lines 1866--1867 Underfull \hbox (badness 10000) in paragraph at lines 1887--1888 [39] Underfull \hbox (badness 10000) in paragraph at lines 1910--1911 Underfull \hbox (badness 10000) in paragraph at lines 1931--1932 Underfull \hbox (badness 10000) in paragraph at lines 1952--1953 [40] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1981--1981 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 1982--1983 [41] Underfull \hbox (badness 10000) in paragraph at lines 2015--2016 Underfull \hbox (badness 10000) in paragraph at lines 2052--2053 [42] Underfull \hbox (badness 10000) in paragraph at lines 2075--2076 [43] Underfull \hbox (badness 10000) in paragraph at lines 2138--2139 [44] Underfull \hbox (badness 10000) in paragraph at lines 2158--2159 Underfull \hbox (badness 10000) in paragraph at lines 2179--2180 Underfull \hbox (badness 10000) in paragraph at lines 2205--2206 [45] Underfull \hbox (badness 10000) in paragraph at lines 2234--2235 [46] Overfull \hbox (3.28027pt too wide) in paragraph at lines 2261--2261 [] \OT1/cmtt/m/n/10.95 h,o : Hamiltonian and overlap matrices in packed or upper triangular[] Underfull \hbox (badness 10000) in paragraph at lines 2262--2263 Underfull \hbox (badness 10000) in paragraph at lines 2287--2288 [47] Underfull \hbox (badness 10000) in paragraph at lines 2309--2310 Underfull \hbox (badness 10000) in paragraph at lines 2332--2333 [48] Overfull \hbox (32.02371pt too wide) in paragraph at lines 2363--2363 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2364--2365 Underfull \hbox (badness 10000) in paragraph at lines 2395--2396 [49] Overfull \hbox (20.52634pt too wide) in paragraph at lines 2426--2426 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] Underfull \hbox (badness 10000) in paragraph at lines 2427--2428 Underfull \hbox (badness 10000) in paragraph at lines 2449--2450 [50] Underfull \hbox (badness 10000) in paragraph at lines 2471--2472 [51] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2508--2508 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2509--2510 Underfull \hbox (badness 10000) in paragraph at lines 2537--2538 [52] Underfull \hbox (badness 10000) in paragraph at lines 2569--2570 Underfull \hbox (badness 10000) in paragraph at lines 2597--2598 [53] [54] Underfull \hbox (badness 10000) in paragraph at lines 2675--2676 Underfull \hbox (badness 10000) in paragraph at lines 2695--2696 [55] Underfull \hbox (badness 10000) in paragraph at lines 2722--2723 Underfull \hbox (badness 10000) in paragraph at lines 2746--2747 [56] Underfull \hbox (badness 10000) in paragraph at lines 2771--2772 Underfull \hbox (badness 10000) in paragraph at lines 2792--2793 [57] Underfull \hbox (badness 10000) in paragraph at lines 2817--2818 Underfull \hbox (badness 10000) in paragraph at lines 2839--2840 Underfull \hbox (badness 10000) in paragraph at lines 2859--2860 [58] Underfull \hbox (badness 10000) in paragraph at lines 2888--2889 [59] Underfull \hbox (badness 10000) in paragraph at lines 2915--2916 Underfull \hbox (badness 10000) in paragraph at lines 2946--2947 [60] Underfull \hbox (badness 10000) in paragraph at lines 2980--2981 Underfull \hbox (badness 10000) in paragraph at lines 3002--3003 [61] Underfull \hbox (badness 10000) in paragraph at lines 3022--3023 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3057--3057 [] \OT1/cmtt/m/n/10.95 subroutine gengkvec(ngvec,ivg,vgc,vkl,vkc,gkmax,ngkmax,n gk,igkig,vgkl,vgkc,gkc) [62] Underfull \hbox (badness 10000) in paragraph at lines 3070--3071 Underfull \hbox (badness 10000) in paragraph at lines 3091--3092 [63] Underfull \hbox (badness 10000) in paragraph at lines 3115--3116 Underfull \hbox (badness 10000) in paragraph at lines 3140--3141 [64] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3165--3165 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3165--3165 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3166--3167 Underfull \hbox (badness 10000) in paragraph at lines 3185--3186 [65] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3218--3218 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3218--3218 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3219--3220 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3245--3245 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] [66] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3272--3273 [67] Underfull \hbox (badness 10000) in paragraph at lines 3310--3311 Underfull \hbox (badness 10000) in paragraph at lines 3341--3342 [68] Underfull \hbox (badness 10000) in paragraph at lines 3363--3364 Underfull \hbox (badness 10000) in paragraph at lines 3386--3387 [69] Underfull \hbox (badness 10000) in paragraph at lines 3406--3407 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3438--3438 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3438--3438 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3439--3440 [70] Underfull \hbox (badness 10000) in paragraph at lines 3489--3490 [71] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3508--3508 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3509--3510 Underfull \hbox (badness 10000) in paragraph at lines 3533--3534 [72] Underfull \hbox (badness 10000) in paragraph at lines 3554--3555 Underfull \hbox (badness 10000) in paragraph at lines 3574--3575 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3593--3593 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & Overfull \hbox (20.52634pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis (in,logical) Overfull \hbox (3.28027pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] [73] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3614--3615 Underfull \hbox (badness 10000) in paragraph at lines 3637--3638 [74] Underfull \hbox (badness 10000) in paragraph at lines 3658--3659 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3694--3694 [] \OT1/cmtt/m/n/10.95 tsh : .true. if the muffin-tin density is to be i n spherical harmonics Overfull \hbox (20.52634pt too wide) in paragraph at lines 3694--3694 [] \OT1/cmtt/m/n/10.95 tspc : .true. if the density should be contracted over spin (in,logical)[] Underfull \hbox (badness 10000) in paragraph at lines 3695--3696 [75] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3722--3722 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3722--3722 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3723--3724 [76] Underfull \hbox (badness 10000) in paragraph at lines 3747--3748 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3767--3767 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3768--3769 Underfull \hbox (badness 10000) in paragraph at lines 3787--3788 [77] Underfull \hbox (badness 10000) in paragraph at lines 3805--3806 Underfull \hbox (badness 10000) in paragraph at lines 3823--3824 [78] Underfull \hbox (badness 10000) in paragraph at lines 3850--3851 Underfull \hbox (badness 10000) in paragraph at lines 3876--3877 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3898--3898 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & [79] Underfull \hbox (badness 10000) in paragraph at lines 3900--3901 Underfull \hbox (badness 10000) in paragraph at lines 3919--3920 Underfull \hbox (badness 10000) in paragraph at lines 3937--3938 [80] Underfull \hbox (badness 10000) in paragraph at lines 3955--3956 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3971--3971 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 3985--3986 [81] Overfull \hbox (14.77765pt too wide) in paragraph at lines 4010--4010 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4012--4013 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4064--4064 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4066--4067 [82] Underfull \hbox (badness 10000) in paragraph at lines 4089--4090 [83] Underfull \hbox (badness 10000) in paragraph at lines 4120--4121 Underfull \hbox (badness 10000) in paragraph at lines 4151--4152 [84] Underfull \hbox (badness 10000) in paragraph at lines 4192--4193 [85] Underfull \hbox (badness 10000) in paragraph at lines 4216--4217 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4242--4242 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4243--4244 [86] Underfull \hbox (badness 10000) in paragraph at lines 4266--4267 Underfull \hbox (badness 10000) in paragraph at lines 4290--4291 [87] Underfull \hbox (badness 10000) in paragraph at lines 4320--4321 Underfull \hbox (badness 10000) in paragraph at lines 4339--4340 [88] Underfull \hbox (badness 10000) in paragraph at lines 4359--4360 Underfull \hbox (badness 10000) in paragraph at lines 4386--4387 [89] Underfull \hbox (badness 10000) in paragraph at lines 4411--4412 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4431--4431 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,c_tb09,tempa,rho,rhoup,r hodn,g2rho,g2up,g2dn, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4431--4431 [] \OT1/cmtt/m/n/10.95 grho2,gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup, vxdn,vcup,vcdn,dxdgr2, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4431--4431 [] \OT1/cmtt/m/n/10.95 dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r ,dxdg2u,dxdg2d,dcdg2r, &[] [90] Underfull \hbox (badness 10000) in paragraph at lines 4477--4478 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4480--4484 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third [91] Underfull \hbox (badness 10000) in paragraph at lines 4502--4503 Underfull \hbox (badness 10000) in paragraph at lines 4526--4527 [92] Underfull \hbox (badness 10000) in paragraph at lines 4550--4551 Underfull \hbox (badness 10000) in paragraph at lines 4587--4588 [93] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4635--4635 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4636--4637 [94] Underfull \hbox (badness 10000) in paragraph at lines 4671--4672 Underfull \hbox (badness 10000) in paragraph at lines 4690--4691 [95] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4715--4715 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,c_tb09,tempa,rho,rhoup,rhodn,g rho,gup,gdn,g2rho, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4715--4715 [] \OT1/cmtt/m/n/10.95 g2up,g2dn,g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tau up,taudn,ex,ec,vx,vc, &[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4715--4715 [] \OT1/cmtt/m/n/10.95 vxup,vxdn,vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2, dcdgu2,dcdgd2,dcdgud, &[] [96] Underfull \hbox (badness 10000) in paragraph at lines 4767--4768 [97] Underfull \hbox (badness 10000) in paragraph at lines 4801--4802 Underfull \hbox (badness 10000) in paragraph at lines 4825--4826 [98] Underfull \hbox (badness 10000) in paragraph at lines 4846--4847 Overfull \hbox (32.02371pt too wide) in paragraph at lines 4858--4858 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] Underfull \hbox (badness 10000) in paragraph at lines 4872--4873 [99] Underfull \hbox (badness 10000) in paragraph at lines 4892--4893 Underfull \hbox (badness 10000) in paragraph at lines 4913--4914 Underfull \hbox (badness 10000) in paragraph at lines 4936--4937 [100] Underfull \hbox (badness 10000) in paragraph at lines 4961--4962 Underfull \hbox (badness 10000) in paragraph at lines 4983--4984 [101] Underfull \hbox (badness 10000) in paragraph at lines 5015--5016 [102] Underfull \hbox (badness 10000) in paragraph at lines 5041--5042 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5066--5066 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5067--5068 [103] Underfull \hbox (badness 10000) in paragraph at lines 5091--5092 Overfull \hbox (3.28027pt too wide) in paragraph at lines 5118--5118 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5119--5120 [104] Underfull \hbox (badness 10000) in paragraph at lines 5148--5149 Underfull \hbox (badness 10000) in paragraph at lines 5170--5171 [105] Underfull \hbox (badness 10000) in paragraph at lines 5193--5194 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5196--5199 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- Underfull \hbox (badness 10000) in paragraph at lines 5217--5218 [106] Underfull \hbox (badness 10000) in paragraph at lines 5241--5242 Underfull \hbox (badness 10000) in paragraph at lines 5265--5266 [107] Underfull \hbox (badness 10000) in paragraph at lines 5291--5292 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5311--5311 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5314--5315 [108] Underfull \hbox (badness 10000) in paragraph at lines 5339--5340 Underfull \hbox (badness 10000) in paragraph at lines 5358--5359 Underfull \hbox (badness 10000) in paragraph at lines 5379--5380 [109] Underfull \hbox (badness 10000) in paragraph at lines 5398--5399 Underfull \hbox (badness 10000) in paragraph at lines 5418--5419 [110] Underfull \hbox (badness 10000) in paragraph at lines 5438--5439 Underfull \hbox (badness 10000) in paragraph at lines 5458--5459 Underfull \hbox (badness 10000) in paragraph at lines 5478--5479 [111] Underfull \hbox (badness 10000) in paragraph at lines 5498--5499 Underfull \hbox (badness 10000) in paragraph at lines 5516--5517 [112] Underfull \hbox (badness 10000) in paragraph at lines 5550--5551 [113] Underfull \hbox (badness 10000) in paragraph at lines 5585--5586 [114] Underfull \hbox (badness 10000) in paragraph at lines 5620--5621 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5623--5625 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5642--5643 Underfull \hbox (badness 10000) in paragraph at lines 5663--5664 [115] Underfull \hbox (badness 10000) in paragraph at lines 5684--5685 Underfull \hbox (badness 10000) in paragraph at lines 5705--5706 [116] Underfull \hbox (badness 10000) in paragraph at lines 5726--5727 Underfull \hbox (badness 10000) in paragraph at lines 5748--5749 [117] Underfull \hbox (badness 10000) in paragraph at lines 5768--5769 Underfull \hbox (badness 10000) in paragraph at lines 5787--5788 Underfull \hbox (badness 10000) in paragraph at lines 5808--5809 [118] Underfull \hbox (badness 10000) in paragraph at lines 5830--5831 Underfull \hbox (badness 10000) in paragraph at lines 5850--5851 [119] Underfull \hbox (badness 10000) in paragraph at lines 5871--5872 Underfull \hbox (badness 10000) in paragraph at lines 5891--5892 Underfull \hbox (badness 10000) in paragraph at lines 5912--5913 [120] Underfull \hbox (badness 10000) in paragraph at lines 5939--5940 Overfull \hbox (5.17302pt too wide) in paragraph at lines 5942--5944 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 5960--5961 [121] Underfull \hbox (badness 10000) in paragraph at lines 5978--5979 [122] Underfull \hbox (badness 10000) in paragraph at lines 6011--6012 Underfull \hbox (badness 10000) in paragraph at lines 6031--6032 Underfull \hbox (badness 10000) in paragraph at lines 6053--6054 [123] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6085--6085 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6085--6085 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6085--6085 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6086--6087 [124] Underfull \hbox (badness 10000) in paragraph at lines 6114--6115 Underfull \hbox (badness 10000) in paragraph at lines 6137--6138 [125] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6161--6161 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6162--6163 Underfull \hbox (badness 10000) in paragraph at lines 6186--6187 [126] Underfull \hbox (badness 10000) in paragraph at lines 6208--6209 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6238--6238 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6238--6238 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6239--6240 [127] Underfull \hbox (badness 10000) in paragraph at lines 6270--6271 Underfull \hbox (badness 10000) in paragraph at lines 6289--6290 [128] Underfull \hbox (badness 10000) in paragraph at lines 6312--6313 Underfull \hbox (badness 10000) in paragraph at lines 6335--6336 [129] Underfull \hbox (badness 10000) in paragraph at lines 6379--6380 [130] Underfull \hbox (badness 10000) in paragraph at lines 6414--6415 Underfull \hbox (badness 10000) in paragraph at lines 6466--6467 [131] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6496--6496 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6497--6498 [132] Underfull \hbox (badness 10000) in paragraph at lines 6531--6532 [133] Underfull \hbox (badness 10000) in paragraph at lines 6570--6571 Underfull \hbox (badness 10000) in paragraph at lines 6599--6600 [134] Underfull \hbox (badness 10000) in paragraph at lines 6621--6622 Underfull \hbox (badness 10000) in paragraph at lines 6651--6652 [135] Underfull \hbox (badness 10000) in paragraph at lines 6682--6683 [136] Underfull \hbox (badness 10000) in paragraph at lines 6717--6718 Underfull \hbox (badness 10000) in paragraph at lines 6736--6737 [137] Underfull \hbox (badness 10000) in paragraph at lines 6756--6757 Underfull \hbox (badness 10000) in paragraph at lines 6783--6784 [138] Underfull \hbox (badness 10000) in paragraph at lines 6806--6807 Underfull \hbox (badness 10000) in paragraph at lines 6832--6833 [139] Underfull \hbox (badness 10000) in paragraph at lines 6860--6861 Underfull \hbox (badness 10000) in paragraph at lines 6882--6883 [140] Underfull \hbox (badness 10000) in paragraph at lines 6910--6911 Underfull \hbox (badness 10000) in paragraph at lines 6933--6934 [141] Underfull \hbox (badness 10000) in paragraph at lines 6957--6958 Underfull \hbox (badness 10000) in paragraph at lines 6978--6979 Underfull \hbox (badness 10000) in paragraph at lines 6998--6999 [142] Underfull \hbox (badness 10000) in paragraph at lines 7027--7028 [143] Underfull \hbox (badness 10000) in paragraph at lines 7050--7051 Overfull \hbox (3.28027pt too wide) in paragraph at lines 7084--7084 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7084--7084 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7085--7086 [144] Underfull \hbox (badness 10000) in paragraph at lines 7110--7111 Overfull \hbox (3.28027pt too wide) in paragraph at lines 7140--7140 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7140--7140 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7140--7140 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] [145] Underfull \hbox (badness 10000) in paragraph at lines 7141--7142 Underfull \hbox (badness 10000) in paragraph at lines 7173--7174 [146] Overfull \hbox (14.77765pt too wide) in paragraph at lines 7192--7192 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7193--7194 Underfull \hbox (badness 10000) in paragraph at lines 7212--7213 Underfull \hbox (badness 10000) in paragraph at lines 7232--7233 [147] Underfull \hbox (badness 10000) in paragraph at lines 7251--7252 Overfull \hbox (20.52634pt too wide) in paragraph at lines 7285--7285 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] [148] Underfull \hbox (badness 10000) in paragraph at lines 7286--7287 Underfull \hbox (badness 10000) in paragraph at lines 7322--7323 [149] Underfull \hbox (badness 10000) in paragraph at lines 7352--7353 Underfull \hbox (badness 10000) in paragraph at lines 7374--7375 [150] Underfull \hbox (badness 10000) in paragraph at lines 7415--7416 [151] Underfull \hbox (badness 10000) in paragraph at lines 7434--7435 Underfull \hbox (badness 10000) in paragraph at lines 7460--7461 Underfull \hbox (badness 10000) in paragraph at lines 7479--7480 [152] Underfull \hbox (badness 10000) in paragraph at lines 7497--7498 Underfull \hbox (badness 10000) in paragraph at lines 7519--7520 [153] Underfull \hbox (badness 10000) in paragraph at lines 7539--7540 Underfull \hbox (badness 10000) in paragraph at lines 7562--7563 [154] Underfull \hbox (badness 10000) in paragraph at lines 7582--7583 Underfull \hbox (badness 10000) in paragraph at lines 7601--7602 Overfull \hbox (16.14984pt too wide) in paragraph at lines 7604--7606 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . [155] Underfull \hbox (badness 10000) in paragraph at lines 7621--7622 Underfull \hbox (badness 10000) in paragraph at lines 7641--7642 Underfull \hbox (badness 10000) in paragraph at lines 7661--7662 [156] Underfull \hbox (badness 10000) in paragraph at lines 7684--7685 Underfull \hbox (badness 10000) in paragraph at lines 7705--7706 [157] Underfull \hbox (badness 10000) in paragraph at lines 7726--7727 Underfull \hbox (badness 10000) in paragraph at lines 7747--7748 [158] Underfull \hbox (badness 10000) in paragraph at lines 7775--7776 Underfull \hbox (badness 10000) in paragraph at lines 7801--7802 [159] Underfull \hbox (badness 10000) in paragraph at lines 7822--7823 Underfull \hbox (badness 10000) in paragraph at lines 7842--7843 Underfull \hbox (badness 10000) in paragraph at lines 7864--7865 [160] Overfull \hbox (14.77765pt too wide) in paragraph at lines 7884--7884 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 7905--7906 [161] Underfull \hbox (badness 10000) in paragraph at lines 7937--7938 Underfull \hbox (badness 10000) in paragraph at lines 7963--7964 [162] Underfull \hbox (badness 10000) in paragraph at lines 7992--7993 [163] Underfull \hbox (badness 10000) in paragraph at lines 8016--8017 Underfull \hbox (badness 10000) in paragraph at lines 8039--8040 [164] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8067--8067 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8068--8069 Underfull \hbox (badness 10000) in paragraph at lines 8097--8098 [165] Underfull \hbox (badness 10000) in paragraph at lines 8118--8119 Underfull \hbox (badness 10000) in paragraph at lines 8139--8140 Underfull \hbox (badness 10000) in paragraph at lines 8160--8161 [166] Underfull \hbox (badness 10000) in paragraph at lines 8187--8188 [167] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8219--8219 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8220--8221 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8248--8248 [] \OT1/cmtt/m/n/10.95 zfmt1 : first complex function in spherical harmonic s/coordinates for all Overfull \hbox (20.52634pt too wide) in paragraph at lines 8248--8248 [] \OT1/cmtt/m/n/10.95 zfmt2 : second complex function in spherical harmoni cs/coordinates for all[] [168] Underfull \hbox (badness 10000) in paragraph at lines 8249--8250 Underfull \hbox (badness 10000) in paragraph at lines 8275--8276 [169] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8303--8303 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8304--8305 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8335--8335 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8336--8337 [170] Underfull \hbox (badness 10000) in paragraph at lines 8363--8364 [171] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8397--8397 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8398--8399 Overfull \hbox (20.52634pt too wide) in paragraph at lines 8421--8421 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,npi,ld1,rl,ngdg,igf,ngp,gp c,gclgp,ld2,jlgprmt, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) [172] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8447--8448 [173] Underfull \hbox (badness 10000) in paragraph at lines 8524--8525 [174] [175] (./elk.aux) kpathsea: Running mktexpk --mfmode / --bdpi 600 --mag 1+0/600 --dpi 600 tcrm1095 mkdir: cannot create directory ‘././nonexistent’: Permission denied mktexpk: Running mf-nowin -progname=mf \mode:=ljfour; mag:=1+0/600; nonstopmode; input tcrm1095 This is METAFONT, Version 2.7182818 (TeX Live 2020/Debian) (preloaded base=mf) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/tcrm1095.mf (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/exbase.mf) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/tcrm.mf (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txsymb.mf Ok (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/exaccess.mf Ok) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txpseudo.mf Ok) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txaccent.mf Ok [0] [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [27] [29]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txgen.mf Ok [100] [109] [98] [99] [108]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txsymbol.mf Ok [13] [18] [21] [22] [23] [24] [25] [26] [28] [31] [32] [36] [39] [44] [45] [46] [42] [47] [60] [61] [62] [77] [79] [87] [110] [91] [93] [94] [95] [96] [126] [127] [128] [129] [130] [131] [132] [133] [134] [135] [136] [137] [138] [139] [140] [141] [142] [143] [144] [145] [146] [147] [148] [149] [150] [151] [152] [153] [154] [155] [156] [157] [158] [159] [160] [161] [162] [163] [164] [165] [166] [167] [168] [169] [171] [172] [173] [174] [175] [177] [176] [180] [181] [182] [183] [184] [187] [191] [214] [246]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txromod.mf Ok [48] [49] [50] [51] [52] [53] [54] [55] [56] [57]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txrsuper.mf Ok [185] [178] [179] [170] [186]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txrfract.mf Ok [188] [189] [190]) ) ) ) (some charht values had to be adjusted by as much as 0.06952pt) Font metrics written on tcrm1095.tfm. Output written on tcrm1095.600gf (128 characters, 25592 bytes). Transcript written on tcrm1095.log. mktexpk: /tmp/texfonts/pk/ljfour/jknappen/ec/tcrm1095.600pk: successfully generated. Package rerunfilecheck Warning: File `elk.out' has changed. (rerunfilecheck) Rerun to get outlines right (rerunfilecheck) or use package `bookmark'. LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. ) (see the transcript file for additional information) Output written on elk.pdf (175 pages, 632968 bytes). Transcript written on elk.log. This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2020-02-02> patch level 5 L3 programming layer <2020-09-24> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2019/12/20 v1.4l Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. 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(/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty)) (./elk.out) (./elk.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] (./elk.toc [2] [3] [4] [5] [6] [7] [8] [9]) [10] [11] [12] [13] Overfull \hbox (14.77765pt too wide) in paragraph at lines 294--294 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [14] [15] [16] [17] [18] [19] [20] [21] Overfull \hbox (0.95221pt too wide) in paragraph at lines 653--657 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] [35] [36] [37] [38] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1460--1463 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [39] [40] [41] [42] Underfull \hbox (badness 10000) in paragraph at lines 1660--1661 Overfull \hbox (26.27502pt too wide) in paragraph at lines 1684--1684 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1702--1702 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] [43] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1702--1702 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1703--1704 Underfull \hbox (badness 10000) in paragraph at lines 1727--1728 [44] Underfull \hbox (badness 10000) in paragraph at lines 1755--1756 Underfull \hbox (badness 10000) in paragraph at lines 1777--1778 Underfull \hbox (badness 10000) in paragraph at lines 1800--1801 [45] Underfull \hbox (badness 10000) in paragraph at lines 1836--1837 [46] Underfull \hbox (badness 10000) in paragraph at lines 1866--1867 Underfull \hbox (badness 10000) in paragraph at lines 1887--1888 [47] Underfull \hbox (badness 10000) in paragraph at lines 1910--1911 Underfull \hbox (badness 10000) in paragraph at lines 1931--1932 Underfull \hbox (badness 10000) in paragraph at lines 1952--1953 [48] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1981--1981 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 1982--1983 [49] Underfull \hbox (badness 10000) in paragraph at lines 2015--2016 Underfull \hbox (badness 10000) in paragraph at lines 2052--2053 [50] Underfull \hbox (badness 10000) in paragraph at lines 2075--2076 [51] Underfull \hbox (badness 10000) in paragraph at lines 2138--2139 [52] Underfull \hbox (badness 10000) in paragraph at lines 2158--2159 Underfull \hbox (badness 10000) in paragraph at lines 2179--2180 Underfull \hbox (badness 10000) in paragraph at lines 2205--2206 [53] Underfull \hbox (badness 10000) in paragraph at lines 2234--2235 [54] Overfull \hbox (3.28027pt too wide) in paragraph at lines 2261--2261 [] \OT1/cmtt/m/n/10.95 h,o : Hamiltonian and overlap matrices in packed or upper triangular[] Underfull \hbox (badness 10000) in paragraph at lines 2262--2263 Underfull \hbox (badness 10000) in paragraph at lines 2287--2288 [55] Underfull \hbox (badness 10000) in paragraph at lines 2309--2310 Underfull \hbox (badness 10000) in paragraph at lines 2332--2333 [56] Overfull \hbox (32.02371pt too wide) in paragraph at lines 2363--2363 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2364--2365 Underfull \hbox (badness 10000) in paragraph at lines 2395--2396 [57] Overfull \hbox (20.52634pt too wide) in paragraph at lines 2426--2426 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] Underfull \hbox (badness 10000) in paragraph at lines 2427--2428 Underfull \hbox (badness 10000) in paragraph at lines 2449--2450 [58] Underfull \hbox (badness 10000) in paragraph at lines 2471--2472 [59] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2508--2508 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2509--2510 Underfull \hbox (badness 10000) in paragraph at lines 2537--2538 [60] Underfull \hbox (badness 10000) in paragraph at lines 2569--2570 Underfull \hbox (badness 10000) in paragraph at lines 2597--2598 [61] [62] Underfull \hbox (badness 10000) in paragraph at lines 2675--2676 Underfull \hbox (badness 10000) in paragraph at lines 2695--2696 [63] Underfull \hbox (badness 10000) in paragraph at lines 2722--2723 Underfull \hbox (badness 10000) in paragraph at lines 2746--2747 [64] Underfull \hbox (badness 10000) in paragraph at lines 2771--2772 Underfull \hbox (badness 10000) in paragraph at lines 2792--2793 [65] Underfull \hbox (badness 10000) in paragraph at lines 2817--2818 Underfull \hbox (badness 10000) in paragraph at lines 2839--2840 Underfull \hbox (badness 10000) in paragraph at lines 2859--2860 [66] Underfull \hbox (badness 10000) in paragraph at lines 2888--2889 [67] Underfull \hbox (badness 10000) in paragraph at lines 2915--2916 Underfull \hbox (badness 10000) in paragraph at lines 2946--2947 [68] Underfull \hbox (badness 10000) in paragraph at lines 2980--2981 Underfull \hbox (badness 10000) in paragraph at lines 3002--3003 [69] Underfull \hbox (badness 10000) in paragraph at lines 3022--3023 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3057--3057 [] \OT1/cmtt/m/n/10.95 subroutine gengkvec(ngvec,ivg,vgc,vkl,vkc,gkmax,ngkmax,n gk,igkig,vgkl,vgkc,gkc) [70] Underfull \hbox (badness 10000) in paragraph at lines 3070--3071 Underfull \hbox (badness 10000) in paragraph at lines 3091--3092 [71] Underfull \hbox (badness 10000) in paragraph at lines 3115--3116 Underfull \hbox (badness 10000) in paragraph at lines 3140--3141 [72] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3165--3165 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3165--3165 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3166--3167 Underfull \hbox (badness 10000) in paragraph at lines 3185--3186 [73] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3218--3218 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3218--3218 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3219--3220 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3245--3245 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] [74] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3272--3273 [75] Underfull \hbox (badness 10000) in paragraph at lines 3310--3311 Underfull \hbox (badness 10000) in paragraph at lines 3341--3342 [76] Underfull \hbox (badness 10000) in paragraph at lines 3363--3364 Underfull \hbox (badness 10000) in paragraph at lines 3386--3387 [77] Underfull \hbox (badness 10000) in paragraph at lines 3406--3407 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3438--3438 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3438--3438 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3439--3440 [78] Underfull \hbox (badness 10000) in paragraph at lines 3489--3490 [79] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3508--3508 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3509--3510 Underfull \hbox (badness 10000) in paragraph at lines 3533--3534 [80] Underfull \hbox (badness 10000) in paragraph at lines 3554--3555 Underfull \hbox (badness 10000) in paragraph at lines 3574--3575 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3593--3593 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & Overfull \hbox (20.52634pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis (in,logical) Overfull \hbox (3.28027pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] [81] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3614--3615 Underfull \hbox (badness 10000) in paragraph at lines 3637--3638 [82] Underfull \hbox (badness 10000) in paragraph at lines 3658--3659 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3694--3694 [] \OT1/cmtt/m/n/10.95 tsh : .true. if the muffin-tin density is to be i n spherical harmonics Overfull \hbox (20.52634pt too wide) in paragraph at lines 3694--3694 [] \OT1/cmtt/m/n/10.95 tspc : .true. if the density should be contracted over spin (in,logical)[] Underfull \hbox (badness 10000) in paragraph at lines 3695--3696 [83] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3722--3722 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3722--3722 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3723--3724 [84] Underfull \hbox (badness 10000) in paragraph at lines 3747--3748 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3767--3767 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3768--3769 Underfull \hbox (badness 10000) in paragraph at lines 3787--3788 [85] Underfull \hbox (badness 10000) in paragraph at lines 3805--3806 Underfull \hbox (badness 10000) in paragraph at lines 3823--3824 [86] Underfull \hbox (badness 10000) in paragraph at lines 3850--3851 Underfull \hbox (badness 10000) in paragraph at lines 3876--3877 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3898--3898 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & [87] Underfull \hbox (badness 10000) in paragraph at lines 3900--3901 Underfull \hbox (badness 10000) in paragraph at lines 3919--3920 Underfull \hbox (badness 10000) in paragraph at lines 3937--3938 [88] Underfull \hbox (badness 10000) in paragraph at lines 3955--3956 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3971--3971 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 3985--3986 [89] Overfull \hbox (14.77765pt too wide) in paragraph at lines 4010--4010 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4012--4013 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4064--4064 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4066--4067 [90] Underfull \hbox (badness 10000) in paragraph at lines 4089--4090 [91] Underfull \hbox (badness 10000) in paragraph at lines 4120--4121 Underfull \hbox (badness 10000) in paragraph at lines 4151--4152 [92] Underfull \hbox (badness 10000) in paragraph at lines 4192--4193 [93] Underfull \hbox (badness 10000) in paragraph at lines 4216--4217 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4242--4242 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4243--4244 [94] Underfull \hbox (badness 10000) in paragraph at lines 4266--4267 Underfull \hbox (badness 10000) in paragraph at lines 4290--4291 [95] Underfull \hbox (badness 10000) in paragraph at lines 4320--4321 Underfull \hbox (badness 10000) in paragraph at lines 4339--4340 [96] Underfull \hbox (badness 10000) in paragraph at lines 4359--4360 Underfull \hbox (badness 10000) in paragraph at lines 4386--4387 [97] Underfull \hbox (badness 10000) in paragraph at lines 4411--4412 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4431--4431 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,c_tb09,tempa,rho,rhoup,r hodn,g2rho,g2up,g2dn, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4431--4431 [] \OT1/cmtt/m/n/10.95 grho2,gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup, vxdn,vcup,vcdn,dxdgr2, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4431--4431 [] \OT1/cmtt/m/n/10.95 dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r ,dxdg2u,dxdg2d,dcdg2r, &[] [98] Underfull \hbox (badness 10000) in paragraph at lines 4477--4478 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4480--4484 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third [99] Underfull \hbox (badness 10000) in paragraph at lines 4502--4503 Underfull \hbox (badness 10000) in paragraph at lines 4526--4527 [100] Underfull \hbox (badness 10000) in paragraph at lines 4550--4551 Underfull \hbox (badness 10000) in paragraph at lines 4587--4588 [101] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4635--4635 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4636--4637 [102] Underfull \hbox (badness 10000) in paragraph at lines 4671--4672 Underfull \hbox (badness 10000) in paragraph at lines 4690--4691 [103] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4715--4715 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,c_tb09,tempa,rho,rhoup,rhodn,g rho,gup,gdn,g2rho, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4715--4715 [] \OT1/cmtt/m/n/10.95 g2up,g2dn,g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tau up,taudn,ex,ec,vx,vc, &[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4715--4715 [] \OT1/cmtt/m/n/10.95 vxup,vxdn,vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2, dcdgu2,dcdgd2,dcdgud, &[] [104] Underfull \hbox (badness 10000) in paragraph at lines 4767--4768 [105] Underfull \hbox (badness 10000) in paragraph at lines 4801--4802 Underfull \hbox (badness 10000) in paragraph at lines 4825--4826 [106] Underfull \hbox (badness 10000) in paragraph at lines 4846--4847 Overfull \hbox (32.02371pt too wide) in paragraph at lines 4858--4858 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] Underfull \hbox (badness 10000) in paragraph at lines 4872--4873 [107] Underfull \hbox (badness 10000) in paragraph at lines 4892--4893 Underfull \hbox (badness 10000) in paragraph at lines 4913--4914 Underfull \hbox (badness 10000) in paragraph at lines 4936--4937 [108] Underfull \hbox (badness 10000) in paragraph at lines 4961--4962 Underfull \hbox (badness 10000) in paragraph at lines 4983--4984 [109] Underfull \hbox (badness 10000) in paragraph at lines 5015--5016 [110] Underfull \hbox (badness 10000) in paragraph at lines 5041--5042 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5066--5066 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5067--5068 [111] Underfull \hbox (badness 10000) in paragraph at lines 5091--5092 Overfull \hbox (3.28027pt too wide) in paragraph at lines 5118--5118 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5119--5120 [112] Underfull \hbox (badness 10000) in paragraph at lines 5148--5149 Underfull \hbox (badness 10000) in paragraph at lines 5170--5171 [113] Underfull \hbox (badness 10000) in paragraph at lines 5193--5194 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5196--5199 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- Underfull \hbox (badness 10000) in paragraph at lines 5217--5218 [114] Underfull \hbox (badness 10000) in paragraph at lines 5241--5242 Underfull \hbox (badness 10000) in paragraph at lines 5265--5266 [115] Underfull \hbox (badness 10000) in paragraph at lines 5291--5292 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5311--5311 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5314--5315 [116] Underfull \hbox (badness 10000) in paragraph at lines 5339--5340 Underfull \hbox (badness 10000) in paragraph at lines 5358--5359 Underfull \hbox (badness 10000) in paragraph at lines 5379--5380 [117] Underfull \hbox (badness 10000) in paragraph at lines 5398--5399 Underfull \hbox (badness 10000) in paragraph at lines 5418--5419 [118] Underfull \hbox (badness 10000) in paragraph at lines 5438--5439 Underfull \hbox (badness 10000) in paragraph at lines 5458--5459 Underfull \hbox (badness 10000) in paragraph at lines 5478--5479 [119] Underfull \hbox (badness 10000) in paragraph at lines 5498--5499 Underfull \hbox (badness 10000) in paragraph at lines 5516--5517 [120] Underfull \hbox (badness 10000) in paragraph at lines 5550--5551 [121] Underfull \hbox (badness 10000) in paragraph at lines 5585--5586 [122] Underfull \hbox (badness 10000) in paragraph at lines 5620--5621 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5623--5625 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5642--5643 Underfull \hbox (badness 10000) in paragraph at lines 5663--5664 [123] Underfull \hbox (badness 10000) in paragraph at lines 5684--5685 Underfull \hbox (badness 10000) in paragraph at lines 5705--5706 [124] Underfull \hbox (badness 10000) in paragraph at lines 5726--5727 Underfull \hbox (badness 10000) in paragraph at lines 5748--5749 [125] Underfull \hbox (badness 10000) in paragraph at lines 5768--5769 Underfull \hbox (badness 10000) in paragraph at lines 5787--5788 Underfull \hbox (badness 10000) in paragraph at lines 5808--5809 [126] Underfull \hbox (badness 10000) in paragraph at lines 5830--5831 Underfull \hbox (badness 10000) in paragraph at lines 5850--5851 [127] Underfull \hbox (badness 10000) in paragraph at lines 5871--5872 Underfull \hbox (badness 10000) in paragraph at lines 5891--5892 Underfull \hbox (badness 10000) in paragraph at lines 5912--5913 [128] Underfull \hbox (badness 10000) in paragraph at lines 5939--5940 Overfull \hbox (5.17302pt too wide) in paragraph at lines 5942--5944 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 5960--5961 [129] Underfull \hbox (badness 10000) in paragraph at lines 5978--5979 [130] Underfull \hbox (badness 10000) in paragraph at lines 6011--6012 Underfull \hbox (badness 10000) in paragraph at lines 6031--6032 Underfull \hbox (badness 10000) in paragraph at lines 6053--6054 [131] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6085--6085 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6085--6085 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6085--6085 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6086--6087 [132] Underfull \hbox (badness 10000) in paragraph at lines 6114--6115 Underfull \hbox (badness 10000) in paragraph at lines 6137--6138 [133] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6161--6161 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6162--6163 Underfull \hbox (badness 10000) in paragraph at lines 6186--6187 [134] Underfull \hbox (badness 10000) in paragraph at lines 6208--6209 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6238--6238 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6238--6238 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6239--6240 [135] Underfull \hbox (badness 10000) in paragraph at lines 6270--6271 Underfull \hbox (badness 10000) in paragraph at lines 6289--6290 [136] Underfull \hbox (badness 10000) in paragraph at lines 6312--6313 Underfull \hbox (badness 10000) in paragraph at lines 6335--6336 [137] Underfull \hbox (badness 10000) in paragraph at lines 6379--6380 [138] Underfull \hbox (badness 10000) in paragraph at lines 6414--6415 Underfull \hbox (badness 10000) in paragraph at lines 6466--6467 [139] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6496--6496 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6497--6498 [140] Underfull \hbox (badness 10000) in paragraph at lines 6531--6532 [141] Underfull \hbox (badness 10000) in paragraph at lines 6570--6571 Underfull \hbox (badness 10000) in paragraph at lines 6599--6600 [142] Underfull \hbox (badness 10000) in paragraph at lines 6621--6622 Underfull \hbox (badness 10000) in paragraph at lines 6651--6652 [143] Underfull \hbox (badness 10000) in paragraph at lines 6682--6683 [144] Underfull \hbox (badness 10000) in paragraph at lines 6717--6718 Underfull \hbox (badness 10000) in paragraph at lines 6736--6737 [145] Underfull \hbox (badness 10000) in paragraph at lines 6756--6757 Underfull \hbox (badness 10000) in paragraph at lines 6783--6784 [146] Underfull \hbox (badness 10000) in paragraph at lines 6806--6807 Underfull \hbox (badness 10000) in paragraph at lines 6832--6833 [147] Underfull \hbox (badness 10000) in paragraph at lines 6860--6861 Underfull \hbox (badness 10000) in paragraph at lines 6882--6883 [148] Underfull \hbox (badness 10000) in paragraph at lines 6910--6911 Underfull \hbox (badness 10000) in paragraph at lines 6933--6934 [149] Underfull \hbox (badness 10000) in paragraph at lines 6957--6958 Underfull \hbox (badness 10000) in paragraph at lines 6978--6979 Underfull \hbox (badness 10000) in paragraph at lines 6998--6999 [150] Underfull \hbox (badness 10000) in paragraph at lines 7027--7028 [151] Underfull \hbox (badness 10000) in paragraph at lines 7050--7051 Overfull \hbox (3.28027pt too wide) in paragraph at lines 7084--7084 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7084--7084 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7085--7086 [152] Underfull \hbox (badness 10000) in paragraph at lines 7110--7111 Overfull \hbox (3.28027pt too wide) in paragraph at lines 7140--7140 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7140--7140 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7140--7140 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] [153] Underfull \hbox (badness 10000) in paragraph at lines 7141--7142 Underfull \hbox (badness 10000) in paragraph at lines 7173--7174 [154] Overfull \hbox (14.77765pt too wide) in paragraph at lines 7192--7192 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7193--7194 Underfull \hbox (badness 10000) in paragraph at lines 7212--7213 Underfull \hbox (badness 10000) in paragraph at lines 7232--7233 [155] Underfull \hbox (badness 10000) in paragraph at lines 7251--7252 Overfull \hbox (20.52634pt too wide) in paragraph at lines 7285--7285 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] [156] Underfull \hbox (badness 10000) in paragraph at lines 7286--7287 Underfull \hbox (badness 10000) in paragraph at lines 7322--7323 [157] Underfull \hbox (badness 10000) in paragraph at lines 7352--7353 Underfull \hbox (badness 10000) in paragraph at lines 7374--7375 [158] Underfull \hbox (badness 10000) in paragraph at lines 7415--7416 [159] Underfull \hbox (badness 10000) in paragraph at lines 7434--7435 Underfull \hbox (badness 10000) in paragraph at lines 7460--7461 Underfull \hbox (badness 10000) in paragraph at lines 7479--7480 [160] Underfull \hbox (badness 10000) in paragraph at lines 7497--7498 Underfull \hbox (badness 10000) in paragraph at lines 7519--7520 [161] Underfull \hbox (badness 10000) in paragraph at lines 7539--7540 Underfull \hbox (badness 10000) in paragraph at lines 7562--7563 [162] Underfull \hbox (badness 10000) in paragraph at lines 7582--7583 Underfull \hbox (badness 10000) in paragraph at lines 7601--7602 Overfull \hbox (16.14984pt too wide) in paragraph at lines 7604--7606 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . [163] Underfull \hbox (badness 10000) in paragraph at lines 7621--7622 Underfull \hbox (badness 10000) in paragraph at lines 7641--7642 Underfull \hbox (badness 10000) in paragraph at lines 7661--7662 [164] Underfull \hbox (badness 10000) in paragraph at lines 7684--7685 Underfull \hbox (badness 10000) in paragraph at lines 7705--7706 [165] Underfull \hbox (badness 10000) in paragraph at lines 7726--7727 Underfull \hbox (badness 10000) in paragraph at lines 7747--7748 [166] Underfull \hbox (badness 10000) in paragraph at lines 7775--7776 Underfull \hbox (badness 10000) in paragraph at lines 7801--7802 [167] Underfull \hbox (badness 10000) in paragraph at lines 7822--7823 Underfull \hbox (badness 10000) in paragraph at lines 7842--7843 Underfull \hbox (badness 10000) in paragraph at lines 7864--7865 [168] Overfull \hbox (14.77765pt too wide) in paragraph at lines 7884--7884 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 7905--7906 [169] Underfull \hbox (badness 10000) in paragraph at lines 7937--7938 Underfull \hbox (badness 10000) in paragraph at lines 7963--7964 [170] Underfull \hbox (badness 10000) in paragraph at lines 7992--7993 [171] Underfull \hbox (badness 10000) in paragraph at lines 8016--8017 Underfull \hbox (badness 10000) in paragraph at lines 8039--8040 [172] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8067--8067 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8068--8069 Underfull \hbox (badness 10000) in paragraph at lines 8097--8098 [173] Underfull \hbox (badness 10000) in paragraph at lines 8118--8119 Underfull \hbox (badness 10000) in paragraph at lines 8139--8140 Underfull \hbox (badness 10000) in paragraph at lines 8160--8161 [174] Underfull \hbox (badness 10000) in paragraph at lines 8187--8188 [175] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8219--8219 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8220--8221 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8248--8248 [] \OT1/cmtt/m/n/10.95 zfmt1 : first complex function in spherical harmonic s/coordinates for all Overfull \hbox (20.52634pt too wide) in paragraph at lines 8248--8248 [] \OT1/cmtt/m/n/10.95 zfmt2 : second complex function in spherical harmoni cs/coordinates for all[] [176] Underfull \hbox (badness 10000) in paragraph at lines 8249--8250 Underfull \hbox (badness 10000) in paragraph at lines 8275--8276 [177] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8303--8303 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8304--8305 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8335--8335 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8336--8337 [178] Underfull \hbox (badness 10000) in paragraph at lines 8363--8364 [179] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8397--8397 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8398--8399 Overfull \hbox (20.52634pt too wide) in paragraph at lines 8421--8421 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,npi,ld1,rl,ngdg,igf,ngp,gp c,gclgp,ld2,jlgprmt, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) [180] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8447--8448 [181] Underfull \hbox (badness 10000) in paragraph at lines 8524--8525 [182] [183] (./elk.aux) LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. ) (see the transcript file for additional information) Output written on elk.pdf (183 pages, 677741 bytes). Transcript written on elk.log. This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2020-02-02> patch level 5 L3 programming layer <2020-09-24> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2019/12/20 v1.4l Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. 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(/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.sty) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/generic/atbegshi/atbegshi.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/atveryend/atveryend.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./elk.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty)) (./elk.out) (./elk.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] (./elk.toc [2] [3] [4] [5] [6] [7] [8] [9]) [10] [11] [12] [13] Overfull \hbox (14.77765pt too wide) in paragraph at lines 294--294 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [14] [15] [16] [17] [18] [19] [20] [21] Overfull \hbox (0.95221pt too wide) in paragraph at lines 653--657 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] [35] [36] [37] [38] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1460--1463 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [39] [40] [41] [42] Underfull \hbox (badness 10000) in paragraph at lines 1660--1661 Overfull \hbox (26.27502pt too wide) in paragraph at lines 1684--1684 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1702--1702 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] [43] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1702--1702 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1703--1704 Underfull \hbox (badness 10000) in paragraph at lines 1727--1728 [44] Underfull \hbox (badness 10000) in paragraph at lines 1755--1756 Underfull \hbox (badness 10000) in paragraph at lines 1777--1778 Underfull \hbox (badness 10000) in paragraph at lines 1800--1801 [45] Underfull \hbox (badness 10000) in paragraph at lines 1836--1837 [46] Underfull \hbox (badness 10000) in paragraph at lines 1866--1867 Underfull \hbox (badness 10000) in paragraph at lines 1887--1888 [47] Underfull \hbox (badness 10000) in paragraph at lines 1910--1911 Underfull \hbox (badness 10000) in paragraph at lines 1931--1932 Underfull \hbox (badness 10000) in paragraph at lines 1952--1953 [48] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1981--1981 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 1982--1983 [49] Underfull \hbox (badness 10000) in paragraph at lines 2015--2016 Underfull \hbox (badness 10000) in paragraph at lines 2052--2053 [50] Underfull \hbox (badness 10000) in paragraph at lines 2075--2076 [51] Underfull \hbox (badness 10000) in paragraph at lines 2138--2139 [52] Underfull \hbox (badness 10000) in paragraph at lines 2158--2159 Underfull \hbox (badness 10000) in paragraph at lines 2179--2180 Underfull \hbox (badness 10000) in paragraph at lines 2205--2206 [53] Underfull \hbox (badness 10000) in paragraph at lines 2234--2235 [54] Overfull \hbox (3.28027pt too wide) in paragraph at lines 2261--2261 [] \OT1/cmtt/m/n/10.95 h,o : Hamiltonian and overlap matrices in packed or upper triangular[] Underfull \hbox (badness 10000) in paragraph at lines 2262--2263 Underfull \hbox (badness 10000) in paragraph at lines 2287--2288 [55] Underfull \hbox (badness 10000) in paragraph at lines 2309--2310 Underfull \hbox (badness 10000) in paragraph at lines 2332--2333 [56] Overfull \hbox (32.02371pt too wide) in paragraph at lines 2363--2363 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2364--2365 Underfull \hbox (badness 10000) in paragraph at lines 2395--2396 [57] Overfull \hbox (20.52634pt too wide) in paragraph at lines 2426--2426 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] Underfull \hbox (badness 10000) in paragraph at lines 2427--2428 Underfull \hbox (badness 10000) in paragraph at lines 2449--2450 [58] Underfull \hbox (badness 10000) in paragraph at lines 2471--2472 [59] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2508--2508 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2509--2510 Underfull \hbox (badness 10000) in paragraph at lines 2537--2538 [60] Underfull \hbox (badness 10000) in paragraph at lines 2569--2570 Underfull \hbox (badness 10000) in paragraph at lines 2597--2598 [61] [62] Underfull \hbox (badness 10000) in paragraph at lines 2675--2676 Underfull \hbox (badness 10000) in paragraph at lines 2695--2696 [63] Underfull \hbox (badness 10000) in paragraph at lines 2722--2723 Underfull \hbox (badness 10000) in paragraph at lines 2746--2747 [64] Underfull \hbox (badness 10000) in paragraph at lines 2771--2772 Underfull \hbox (badness 10000) in paragraph at lines 2792--2793 [65] Underfull \hbox (badness 10000) in paragraph at lines 2817--2818 Underfull \hbox (badness 10000) in paragraph at lines 2839--2840 Underfull \hbox (badness 10000) in paragraph at lines 2859--2860 [66] Underfull \hbox (badness 10000) in paragraph at lines 2888--2889 [67] Underfull \hbox (badness 10000) in paragraph at lines 2915--2916 Underfull \hbox (badness 10000) in paragraph at lines 2946--2947 [68] Underfull \hbox (badness 10000) in paragraph at lines 2980--2981 Underfull \hbox (badness 10000) in paragraph at lines 3002--3003 [69] Underfull \hbox (badness 10000) in paragraph at lines 3022--3023 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3057--3057 [] \OT1/cmtt/m/n/10.95 subroutine gengkvec(ngvec,ivg,vgc,vkl,vkc,gkmax,ngkmax,n gk,igkig,vgkl,vgkc,gkc) [70] Underfull \hbox (badness 10000) in paragraph at lines 3070--3071 Underfull \hbox (badness 10000) in paragraph at lines 3091--3092 [71] Underfull \hbox (badness 10000) in paragraph at lines 3115--3116 Underfull \hbox (badness 10000) in paragraph at lines 3140--3141 [72] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3165--3165 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3165--3165 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3166--3167 Underfull \hbox (badness 10000) in paragraph at lines 3185--3186 [73] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3218--3218 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3218--3218 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3219--3220 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3245--3245 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] [74] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3271--3271 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3272--3273 [75] Underfull \hbox (badness 10000) in paragraph at lines 3310--3311 Underfull \hbox (badness 10000) in paragraph at lines 3341--3342 [76] Underfull \hbox (badness 10000) in paragraph at lines 3363--3364 Underfull \hbox (badness 10000) in paragraph at lines 3386--3387 [77] Underfull \hbox (badness 10000) in paragraph at lines 3406--3407 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3438--3438 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3438--3438 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3439--3440 [78] Underfull \hbox (badness 10000) in paragraph at lines 3489--3490 [79] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3508--3508 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3509--3510 Underfull \hbox (badness 10000) in paragraph at lines 3533--3534 [80] Underfull \hbox (badness 10000) in paragraph at lines 3554--3555 Underfull \hbox (badness 10000) in paragraph at lines 3574--3575 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3593--3593 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & Overfull \hbox (20.52634pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis (in,logical) Overfull \hbox (3.28027pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] [81] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3613--3613 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3614--3615 Underfull \hbox (badness 10000) in paragraph at lines 3637--3638 [82] Underfull \hbox (badness 10000) in paragraph at lines 3658--3659 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3694--3694 [] \OT1/cmtt/m/n/10.95 tsh : .true. if the muffin-tin density is to be i n spherical harmonics Overfull \hbox (20.52634pt too wide) in paragraph at lines 3694--3694 [] \OT1/cmtt/m/n/10.95 tspc : .true. if the density should be contracted over spin (in,logical)[] Underfull \hbox (badness 10000) in paragraph at lines 3695--3696 [83] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3722--3722 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3722--3722 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3723--3724 [84] Underfull \hbox (badness 10000) in paragraph at lines 3747--3748 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3767--3767 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3768--3769 Underfull \hbox (badness 10000) in paragraph at lines 3787--3788 [85] Underfull \hbox (badness 10000) in paragraph at lines 3805--3806 Underfull \hbox (badness 10000) in paragraph at lines 3823--3824 [86] Underfull \hbox (badness 10000) in paragraph at lines 3850--3851 Underfull \hbox (badness 10000) in paragraph at lines 3876--3877 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3898--3898 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & [87] Underfull \hbox (badness 10000) in paragraph at lines 3900--3901 Underfull \hbox (badness 10000) in paragraph at lines 3919--3920 Underfull \hbox (badness 10000) in paragraph at lines 3937--3938 [88] Underfull \hbox (badness 10000) in paragraph at lines 3955--3956 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3971--3971 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 3985--3986 [89] Overfull \hbox (14.77765pt too wide) in paragraph at lines 4010--4010 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4012--4013 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4064--4064 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4066--4067 [90] Underfull \hbox (badness 10000) in paragraph at lines 4089--4090 [91] Underfull \hbox (badness 10000) in paragraph at lines 4120--4121 Underfull \hbox (badness 10000) in paragraph at lines 4151--4152 [92] Underfull \hbox (badness 10000) in paragraph at lines 4192--4193 [93] Underfull \hbox (badness 10000) in paragraph at lines 4216--4217 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4242--4242 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4243--4244 [94] Underfull \hbox (badness 10000) in paragraph at lines 4266--4267 Underfull \hbox (badness 10000) in paragraph at lines 4290--4291 [95] Underfull \hbox (badness 10000) in paragraph at lines 4320--4321 Underfull \hbox (badness 10000) in paragraph at lines 4339--4340 [96] Underfull \hbox (badness 10000) in paragraph at lines 4359--4360 Underfull \hbox (badness 10000) in paragraph at lines 4386--4387 [97] Underfull \hbox (badness 10000) in paragraph at lines 4411--4412 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4431--4431 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,c_tb09,tempa,rho,rhoup,r hodn,g2rho,g2up,g2dn, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4431--4431 [] \OT1/cmtt/m/n/10.95 grho2,gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup, vxdn,vcup,vcdn,dxdgr2, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4431--4431 [] \OT1/cmtt/m/n/10.95 dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r ,dxdg2u,dxdg2d,dcdg2r, &[] [98] Underfull \hbox (badness 10000) in paragraph at lines 4477--4478 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4480--4484 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third [99] Underfull \hbox (badness 10000) in paragraph at lines 4502--4503 Underfull \hbox (badness 10000) in paragraph at lines 4526--4527 [100] Underfull \hbox (badness 10000) in paragraph at lines 4550--4551 Underfull \hbox (badness 10000) in paragraph at lines 4587--4588 [101] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4635--4635 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4636--4637 [102] Underfull \hbox (badness 10000) in paragraph at lines 4671--4672 Underfull \hbox (badness 10000) in paragraph at lines 4690--4691 [103] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4715--4715 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,c_tb09,tempa,rho,rhoup,rhodn,g rho,gup,gdn,g2rho, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4715--4715 [] \OT1/cmtt/m/n/10.95 g2up,g2dn,g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tau up,taudn,ex,ec,vx,vc, &[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4715--4715 [] \OT1/cmtt/m/n/10.95 vxup,vxdn,vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2, dcdgu2,dcdgd2,dcdgud, &[] [104] Underfull \hbox (badness 10000) in paragraph at lines 4767--4768 [105] Underfull \hbox (badness 10000) in paragraph at lines 4801--4802 Underfull \hbox (badness 10000) in paragraph at lines 4825--4826 [106] Underfull \hbox (badness 10000) in paragraph at lines 4846--4847 Overfull \hbox (32.02371pt too wide) in paragraph at lines 4858--4858 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] Underfull \hbox (badness 10000) in paragraph at lines 4872--4873 [107] Underfull \hbox (badness 10000) in paragraph at lines 4892--4893 Underfull \hbox (badness 10000) in paragraph at lines 4913--4914 Underfull \hbox (badness 10000) in paragraph at lines 4936--4937 [108] Underfull \hbox (badness 10000) in paragraph at lines 4961--4962 Underfull \hbox (badness 10000) in paragraph at lines 4983--4984 [109] Underfull \hbox (badness 10000) in paragraph at lines 5015--5016 [110] Underfull \hbox (badness 10000) in paragraph at lines 5041--5042 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5066--5066 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5067--5068 [111] Underfull \hbox (badness 10000) in paragraph at lines 5091--5092 Overfull \hbox (3.28027pt too wide) in paragraph at lines 5118--5118 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5119--5120 [112] Underfull \hbox (badness 10000) in paragraph at lines 5148--5149 Underfull \hbox (badness 10000) in paragraph at lines 5170--5171 [113] Underfull \hbox (badness 10000) in paragraph at lines 5193--5194 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5196--5199 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- Underfull \hbox (badness 10000) in paragraph at lines 5217--5218 [114] Underfull \hbox (badness 10000) in paragraph at lines 5241--5242 Underfull \hbox (badness 10000) in paragraph at lines 5265--5266 [115] Underfull \hbox (badness 10000) in paragraph at lines 5291--5292 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5311--5311 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5314--5315 [116] Underfull \hbox (badness 10000) in paragraph at lines 5339--5340 Underfull \hbox (badness 10000) in paragraph at lines 5358--5359 Underfull \hbox (badness 10000) in paragraph at lines 5379--5380 [117] Underfull \hbox (badness 10000) in paragraph at lines 5398--5399 Underfull \hbox (badness 10000) in paragraph at lines 5418--5419 [118] Underfull \hbox (badness 10000) in paragraph at lines 5438--5439 Underfull \hbox (badness 10000) in paragraph at lines 5458--5459 Underfull \hbox (badness 10000) in paragraph at lines 5478--5479 [119] Underfull \hbox (badness 10000) in paragraph at lines 5498--5499 Underfull \hbox (badness 10000) in paragraph at lines 5516--5517 [120] Underfull \hbox (badness 10000) in paragraph at lines 5550--5551 [121] Underfull \hbox (badness 10000) in paragraph at lines 5585--5586 [122] Underfull \hbox (badness 10000) in paragraph at lines 5620--5621 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5623--5625 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5642--5643 Underfull \hbox (badness 10000) in paragraph at lines 5663--5664 [123] Underfull \hbox (badness 10000) in paragraph at lines 5684--5685 Underfull \hbox (badness 10000) in paragraph at lines 5705--5706 [124] Underfull \hbox (badness 10000) in paragraph at lines 5726--5727 Underfull \hbox (badness 10000) in paragraph at lines 5748--5749 [125] Underfull \hbox (badness 10000) in paragraph at lines 5768--5769 Underfull \hbox (badness 10000) in paragraph at lines 5787--5788 Underfull \hbox (badness 10000) in paragraph at lines 5808--5809 [126] Underfull \hbox (badness 10000) in paragraph at lines 5830--5831 Underfull \hbox (badness 10000) in paragraph at lines 5850--5851 [127] Underfull \hbox (badness 10000) in paragraph at lines 5871--5872 Underfull \hbox (badness 10000) in paragraph at lines 5891--5892 Underfull \hbox (badness 10000) in paragraph at lines 5912--5913 [128] Underfull \hbox (badness 10000) in paragraph at lines 5939--5940 Overfull \hbox (5.17302pt too wide) in paragraph at lines 5942--5944 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 5960--5961 [129] Underfull \hbox (badness 10000) in paragraph at lines 5978--5979 [130] Underfull \hbox (badness 10000) in paragraph at lines 6011--6012 Underfull \hbox (badness 10000) in paragraph at lines 6031--6032 Underfull \hbox (badness 10000) in paragraph at lines 6053--6054 [131] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6085--6085 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6085--6085 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6085--6085 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6086--6087 [132] Underfull \hbox (badness 10000) in paragraph at lines 6114--6115 Underfull \hbox (badness 10000) in paragraph at lines 6137--6138 [133] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6161--6161 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6162--6163 Underfull \hbox (badness 10000) in paragraph at lines 6186--6187 [134] Underfull \hbox (badness 10000) in paragraph at lines 6208--6209 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6238--6238 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6238--6238 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6239--6240 [135] Underfull \hbox (badness 10000) in paragraph at lines 6270--6271 Underfull \hbox (badness 10000) in paragraph at lines 6289--6290 [136] Underfull \hbox (badness 10000) in paragraph at lines 6312--6313 Underfull \hbox (badness 10000) in paragraph at lines 6335--6336 [137] Underfull \hbox (badness 10000) in paragraph at lines 6379--6380 [138] Underfull \hbox (badness 10000) in paragraph at lines 6414--6415 Underfull \hbox (badness 10000) in paragraph at lines 6466--6467 [139] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6496--6496 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6497--6498 [140] Underfull \hbox (badness 10000) in paragraph at lines 6531--6532 [141] Underfull \hbox (badness 10000) in paragraph at lines 6570--6571 Underfull \hbox (badness 10000) in paragraph at lines 6599--6600 [142] Underfull \hbox (badness 10000) in paragraph at lines 6621--6622 Underfull \hbox (badness 10000) in paragraph at lines 6651--6652 [143] Underfull \hbox (badness 10000) in paragraph at lines 6682--6683 [144] Underfull \hbox (badness 10000) in paragraph at lines 6717--6718 Underfull \hbox (badness 10000) in paragraph at lines 6736--6737 [145] Underfull \hbox (badness 10000) in paragraph at lines 6756--6757 Underfull \hbox (badness 10000) in paragraph at lines 6783--6784 [146] Underfull \hbox (badness 10000) in paragraph at lines 6806--6807 Underfull \hbox (badness 10000) in paragraph at lines 6832--6833 [147] Underfull \hbox (badness 10000) in paragraph at lines 6860--6861 Underfull \hbox (badness 10000) in paragraph at lines 6882--6883 [148] Underfull \hbox (badness 10000) in paragraph at lines 6910--6911 Underfull \hbox (badness 10000) in paragraph at lines 6933--6934 [149] Underfull \hbox (badness 10000) in paragraph at lines 6957--6958 Underfull \hbox (badness 10000) in paragraph at lines 6978--6979 Underfull \hbox (badness 10000) in paragraph at lines 6998--6999 [150] Underfull \hbox (badness 10000) in paragraph at lines 7027--7028 [151] Underfull \hbox (badness 10000) in paragraph at lines 7050--7051 Overfull \hbox (3.28027pt too wide) in paragraph at lines 7084--7084 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7084--7084 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7085--7086 [152] Underfull \hbox (badness 10000) in paragraph at lines 7110--7111 Overfull \hbox (3.28027pt too wide) in paragraph at lines 7140--7140 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7140--7140 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7140--7140 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] [153] Underfull \hbox (badness 10000) in paragraph at lines 7141--7142 Underfull \hbox (badness 10000) in paragraph at lines 7173--7174 [154] Overfull \hbox (14.77765pt too wide) in paragraph at lines 7192--7192 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7193--7194 Underfull \hbox (badness 10000) in paragraph at lines 7212--7213 Underfull \hbox (badness 10000) in paragraph at lines 7232--7233 [155] Underfull \hbox (badness 10000) in paragraph at lines 7251--7252 Overfull \hbox (20.52634pt too wide) in paragraph at lines 7285--7285 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] [156] Underfull \hbox (badness 10000) in paragraph at lines 7286--7287 Underfull \hbox (badness 10000) in paragraph at lines 7322--7323 [157] Underfull \hbox (badness 10000) in paragraph at lines 7352--7353 Underfull \hbox (badness 10000) in paragraph at lines 7374--7375 [158] Underfull \hbox (badness 10000) in paragraph at lines 7415--7416 [159] Underfull \hbox (badness 10000) in paragraph at lines 7434--7435 Underfull \hbox (badness 10000) in paragraph at lines 7460--7461 Underfull \hbox (badness 10000) in paragraph at lines 7479--7480 [160] Underfull \hbox (badness 10000) in paragraph at lines 7497--7498 Underfull \hbox (badness 10000) in paragraph at lines 7519--7520 [161] Underfull \hbox (badness 10000) in paragraph at lines 7539--7540 Underfull \hbox (badness 10000) in paragraph at lines 7562--7563 [162] Underfull \hbox (badness 10000) in paragraph at lines 7582--7583 Underfull \hbox (badness 10000) in paragraph at lines 7601--7602 Overfull \hbox (16.14984pt too wide) in paragraph at lines 7604--7606 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . [163] Underfull \hbox (badness 10000) in paragraph at lines 7621--7622 Underfull \hbox (badness 10000) in paragraph at lines 7641--7642 Underfull \hbox (badness 10000) in paragraph at lines 7661--7662 [164] Underfull \hbox (badness 10000) in paragraph at lines 7684--7685 Underfull \hbox (badness 10000) in paragraph at lines 7705--7706 [165] Underfull \hbox (badness 10000) in paragraph at lines 7726--7727 Underfull \hbox (badness 10000) in paragraph at lines 7747--7748 [166] Underfull \hbox (badness 10000) in paragraph at lines 7775--7776 Underfull \hbox (badness 10000) in paragraph at lines 7801--7802 [167] Underfull \hbox (badness 10000) in paragraph at lines 7822--7823 Underfull \hbox (badness 10000) in paragraph at lines 7842--7843 Underfull \hbox (badness 10000) in paragraph at lines 7864--7865 [168] Overfull \hbox (14.77765pt too wide) in paragraph at lines 7884--7884 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 7905--7906 [169] Underfull \hbox (badness 10000) in paragraph at lines 7937--7938 Underfull \hbox (badness 10000) in paragraph at lines 7963--7964 [170] Underfull \hbox (badness 10000) in paragraph at lines 7992--7993 [171] Underfull \hbox (badness 10000) in paragraph at lines 8016--8017 Underfull \hbox (badness 10000) in paragraph at lines 8039--8040 [172] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8067--8067 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8068--8069 Underfull \hbox (badness 10000) in paragraph at lines 8097--8098 [173] Underfull \hbox (badness 10000) in paragraph at lines 8118--8119 Underfull \hbox (badness 10000) in paragraph at lines 8139--8140 Underfull \hbox (badness 10000) in paragraph at lines 8160--8161 [174] Underfull \hbox (badness 10000) in paragraph at lines 8187--8188 [175] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8219--8219 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8220--8221 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8248--8248 [] \OT1/cmtt/m/n/10.95 zfmt1 : first complex function in spherical harmonic s/coordinates for all Overfull \hbox (20.52634pt too wide) in paragraph at lines 8248--8248 [] \OT1/cmtt/m/n/10.95 zfmt2 : second complex function in spherical harmoni cs/coordinates for all[] [176] Underfull \hbox (badness 10000) in paragraph at lines 8249--8250 Underfull \hbox (badness 10000) in paragraph at lines 8275--8276 [177] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8303--8303 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8304--8305 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8335--8335 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8336--8337 [178] Underfull \hbox (badness 10000) in paragraph at lines 8363--8364 [179] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8397--8397 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8398--8399 Overfull \hbox (20.52634pt too wide) in paragraph at lines 8421--8421 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,npi,ld1,rl,ngdg,igf,ngp,gp c,gclgp,ld2,jlgprmt, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) [180] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8446--8446 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8447--8448 [181] Underfull \hbox (badness 10000) in paragraph at lines 8524--8525 [182] [183] (./elk.aux) ) (see the transcript file for additional information) Output written on elk.pdf (183 pages, 677729 bytes). Transcript written on elk.log. make[2]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2/src' (cd src/spacegroup; /usr/bin/make doc) make[2]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2/src/spacegroup' ../protex -s main.f90 modmain.f90 readinput.f90 gencrystal.f90 sgsymb.f90 seitzgen.f90 gengroup.f90 seitzeq.f90 seitzmul.f90 writegeom.f90 geomplot.f90 findprimcell.f90 r3frac.f90 r3mv.f90 r3cross.f90 r3minv.f90 r3mm.f90 > spacegroup.tex pdflatex spacegroup;pdflatex spacegroup;pdflatex spacegroup This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2020-02-02> patch level 5 L3 programming layer <2020-09-24> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2019/12/20 v1.4l Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty)) (/usr/share/texlive/texmf-dist/tex/generic/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/letltxmacro/letltxmacro.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.sty) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/generic/atbegshi/atbegshi.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/atveryend/atveryend.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) No file spacegroup.aux. (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty)) (./spacegroup.out) (./spacegroup.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 182101 bytes). Transcript written on spacegroup.log. This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2020-02-02> patch level 5 L3 programming layer <2020-09-24> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2019/12/20 v1.4l Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty)) (/usr/share/texlive/texmf-dist/tex/generic/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/letltxmacro/letltxmacro.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.sty) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/generic/atbegshi/atbegshi.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/atveryend/atveryend.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./spacegroup.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty)) (./spacegroup.out) (./spacegroup.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] (./spacegroup.toc) [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 188759 bytes). Transcript written on spacegroup.log. This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2020-02-02> patch level 5 L3 programming layer <2020-09-24> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2019/12/20 v1.4l Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty)) (/usr/share/texlive/texmf-dist/tex/generic/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/letltxmacro/letltxmacro.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.sty) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/generic/atbegshi/atbegshi.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/atveryend/atveryend.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./spacegroup.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty)) (./spacegroup.out) (./spacegroup.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] (./spacegroup.toc) [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 188759 bytes). Transcript written on spacegroup.log. make[2]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2/src/spacegroup' make[1]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2' debian/rules override_dh_auto_test make[1]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2' (cd tests; OMPI_MCA_orte_rsh_agent=/bin/false bash ./tests_quick.sh) Running test in directory test_001... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(checkmt): reduced muffin-tin radius of species 3 (Cu) from 2.4000 to 1.9694 Info(checkmt): reduced muffin-tin radius of species 4 (O) from 1.8000 to 1.4770 Info(findsymcrys): atomic basis shift (lattice) : -0.5000000000 -0.5000000000 -0.5000000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 2 loops Info(elk): current task : 1 Warning(gndstate): failed to reach self-consistency after 2 loops Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed Running test in directory test_002... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(checkmt): reduced muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3202 Warning(gndstate): failed to reach self-consistency after 5 loops Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed Running test in directory test_003... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(checkmt): reduced muffin-tin radius of species 1 (Si) from 2.2000 to 2.1436 Info(findsymcrys): atomic basis shift (lattice) : 0.3650000000 0.3650000000 0.3650000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 10 loops Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed Running test in directory test_005... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(checkmt): reduced muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3615 Warning(gndstate): failed to reach self-consistency after 5 loops Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed Running test in directory test_007... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(elk): current task : 15 Info(writelsj): muffin-tin L, S and J expectation values written to LSJ.OUT Info(elk): current task : 16 Info(writelsj): muffin-tin L, S and J expectation values for each k-point and state in kstlist written to LSJ_KST.OUT Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed Running test in directory test_009... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(checkmt): reduced muffin-tin radius of species 1 (B) from 1.8000 to 1.6129 Info(checkmt): reduced muffin-tin radius of species 2 (N+) from 1.4500 to 1.2993 Warning(gndstate): failed to reach self-consistency after 6 loops Info(elk): current task : 140 Info(elnes): 4 of 8 k-points Info(elnes): 2 of 8 k-points Info(elnes): 3 of 8 k-points Info(elnes): 1 of 8 k-points Info(elnes): 5 of 8 k-points Info(elnes): 8 of 8 k-points Info(elnes): 7 of 8 k-points Info(elnes): 6 of 8 k-points Info(elnes): ELNES double differential cross-section written to ELNES.OUT Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed Running test in directory test_010... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(checkmt): reduced muffin-tin radius of species 1 (O) from 1.8000 to 0.9906 Info(checkmt): reduced muffin-tin radius of species 2 (H) from 1.4000 to 0.7704 Warning(linengy): could not find 1 linearisation energies in s.c. loop 1 Warning(gndstate): failed to reach self-consistency after 2 loops Warning(linengy): could not find 1 linearisation energies in s.c. loop 2 Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed Running test in directory test_011... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(checkmt): reduced muffin-tin radius of species 1 (Si) from 2.2000 to 2.1964 Info(findsymcrys): atomic basis shift (lattice) : 0.3750000000 0.3750000000 0.3750000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 2 loops Info(elk): current task : 5 Info(genkmat): 2 of 2 k-points Info(genkmat): 1 of 2 k-points Info(hartfock): self-consistent loop number : 1 Info(eveqnhf): 1 of 2 k-points Info(eveqnhf): 2 of 2 k-points Info(hartfock): self-consistent loop number : 2 Info(eveqnhf): 1 of 2 k-points Info(eveqnhf): 2 of 2 k-points Info(exxengy): 2 of 2 k-points Info(exxengy): 1 of 2 k-points Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed Running test in directory test_013... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(checkmt): reduced muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3579 Info(checkmt): reduced muffin-tin radius of species 2 (Al) from 2.2000 to 2.1614 Warning(gndstate): failed to reach self-consistency after 2 loops Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed Running test in directory test_014... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(checkmt): reduced muffin-tin radius of species 1 (Si) from 2.2000 to 2.1964 Info(findsymcrys): atomic basis shift (lattice) : 0.3750000000 0.3750000000 0.3750000000 See GEOMETRY.OUT for new atomic positions Info(oepvcl): 1 of 8 k-points Info(oepvcl): 2 of 8 k-points Info(oepvcl): 8 of 8 k-points Info(oepvcl): 7 of 8 k-points Info(oepvcl): 6 of 8 k-points Info(oepvcl): 5 of 8 k-points Info(oepvcl): 4 of 8 k-points Info(oepvcl): 3 of 8 k-points Info(oepmain): done 10 iterations of 50 Info(oepmain): done 20 iterations of 50 Info(oepmain): done 30 iterations of 50 Info(oepmain): done 40 iterations of 50 Info(oepmain): done 50 iterations of 50 Warning(gndstate): failed to reach self-consistency after 2 loops Info(oepvcl): 5 of 8 k-points Info(oepvcl): 6 of 8 k-points Info(oepvcl): 3 of 8 k-points Info(oepvcl): 4 of 8 k-points Info(oepvcl): 7 of 8 k-points Info(oepvcl): 1 of 8 k-points Info(oepvcl): 2 of 8 k-points Info(oepvcl): 8 of 8 k-points Info(oepmain): done 10 iterations of 50 Info(oepmain): done 20 iterations of 50 Info(oepmain): done 30 iterations of 50 Info(oepmain): done 40 iterations of 50 Info(oepmain): done 50 iterations of 50 Info(exxengy): 8 of 8 k-points Info(exxengy): 1 of 8 k-points Info(exxengy): 2 of 8 k-points Info(exxengy): 5 of 8 k-points Info(exxengy): 7 of 8 k-points Info(exxengy): 6 of 8 k-points Info(exxengy): 3 of 8 k-points Info(exxengy): 4 of 8 k-points Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed Running test in directory test_018... OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 OpenCL: Failed to get number of platforms with clGetPlatformIDs(): -1001 Elk code version 6.3.02 started Number of MPI processes : 1 Number of OpenMP threads per MPI process : 32 Total number of threads : 32 Maximum OpenMP nesting level : 4 Info(elk): current task : 0 Info(elk): current task : 205 Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P1.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P1.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P1.OUT Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P2.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P2.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P2.OUT Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P3.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P3.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P3.OUT Info(dyntask): nothing more to do Info(elk): current task : 210 Info(phdos): phonon density of states written to PHDOS.OUT thermodynamic properties written to THERMO.OUT Info(elk): current task : 500 Info(testcheck): passed all tests Elk code stopped Passed for i in tests/test-*/test.log; do \ if [ -e $i ]; then \ echo "Error for test $i:"; \ sed -n -e '/^Error/,$p' $i; \ fi \ done make[1]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2' fakeroot debian/rules binary-arch dh binary-arch dh: warning: Compatibility levels before 10 are deprecated (level 8 in use) dh_testroot -a dh_prep -a dh_installdirs -a dh_installdirs: warning: Compatibility levels before 10 are deprecated (level 8 in use) dh_auto_install -a dh_auto_install: warning: Compatibility levels before 10 are deprecated (level 8 in use) debian/rules override_dh_install make[1]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2' dh_install dh_install: warning: Compatibility levels before 10 are deprecated (level 8 in use) mv /build/elkcode-ewPBEm/elkcode-6.3.2/debian/elk-lapw/usr/bin/xps_exc.pl \ /build/elkcode-ewPBEm/elkcode-6.3.2/debian/elk-lapw/usr/bin/xps_exc mv /build/elkcode-ewPBEm/elkcode-6.3.2/debian/elk-lapw/usr/bin/elk \ /build/elkcode-ewPBEm/elkcode-6.3.2/debian/elk-lapw/usr/bin/elk-lapw #bug #720044 make[1]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2' dh_installdocs -a dh_installdocs: warning: Compatibility levels before 10 are deprecated (level 8 in use) debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/elkcode-ewPBEm/elkcode-6.3.2' dh_installchangelogs release_notes.txt make[1]: Leaving directory '/build/elkcode-ewPBEm/elkcode-6.3.2' dh_installexamples -a dh_installexamples: warning: Compatibility levels before 10 are deprecated (level 8 in use) dh_installman -a dh_installman: warning: Compatibility levels before 10 are deprecated (level 8 in use) dh_perl -a dh_link -a dh_strip_nondeterminism -a dh_compress -a dh_compress: warning: Compatibility levels before 10 are deprecated (level 8 in use) dh_fixperms -a dh_missing -a dh_missing: warning: Compatibility levels before 10 are deprecated (level 8 in use) dh_strip -a dh_strip: warning: Compatibility levels before 10 are deprecated (level 8 in use) dh_makeshlibs -a dh_makeshlibs: warning: Compatibility levels before 10 are deprecated (level 8 in use) dh_shlibdeps -a dh_shlibdeps: warning: Compatibility levels before 10 are deprecated (level 8 in use) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/elk-lapw/usr/bin/spacegroup debian/elk-lapw/usr/bin/eos were not linked against libpthread.so.0 (they use none of the library's symbols) dh_installdeb -a dh_installdeb: warning: Compatibility levels before 10 are deprecated (level 8 in use) dh_gencontrol -a dpkg-gencontrol: warning: package elk-lapw: substitution variable ${perl:Depends} unused, but is defined dpkg-gencontrol: warning: package elk-lapw: substitution variable ${perl:Depends} unused, but is defined dh_md5sums -a dh_builddeb -a dpkg-deb: building package 'elk-lapw-dbgsym' in '../elk-lapw-dbgsym_6.3.2-2_amd64.deb'. dpkg-deb: building package 'elk-lapw' in '../elk-lapw_6.3.2-2_amd64.deb'. dpkg-genbuildinfo --build=any dpkg-genchanges --build=any >../elkcode_6.3.2-2_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/elkcode-ewPBEm /tmp/elkcode-6.3.2-2jgj3oyjn I: cleaning package lists and apt cache... W: deleting files in /tmp: texfonts I: creating tarball... I: done I: removing tempdir /tmp/mmdebstrap.pgj9ZG0gkE... I: success in 2753.4888 seconds md5: elk-lapw-dbgsym_6.3.2-2_amd64.deb: OK md5: elk-lapw_6.3.2-2_amd64.deb: OK sha1: elk-lapw-dbgsym_6.3.2-2_amd64.deb: OK sha1: elk-lapw_6.3.2-2_amd64.deb: OK sha256: elk-lapw-dbgsym_6.3.2-2_amd64.deb: OK sha256: elk-lapw_6.3.2-2_amd64.deb: OK Checksums: OK