Diff of the two buildlogs: -- --- b1/build.log 2024-05-16 13:12:21.374236033 +0000 +++ b2/build.log 2024-05-16 13:13:32.643205166 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Wed Jun 18 07:34:17 -12 2025 -I: pbuilder-time-stamp: 1750275257 +I: Current time: Fri May 17 03:12:24 +14 2024 +I: pbuilder-time-stamp: 1715865144 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -25,52 +25,84 @@ dpkg-source: info: unpacking libgridxc_2.0.1-1.debian.tar.xz I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3225358/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/3002307/tmp/hooks/D01_modify_environment starting +debug: Running on codethink04-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 May 16 13:12 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/3002307/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/3002307/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="21" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.21(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='0aadc84b579d427c84bdd0fcaf9f8955' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='3225358' - PS1='# ' - PS2='> ' + INVOCATION_ID=f30b64fc6084422581524733f379597e + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=3002307 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.10FmhJMw/pbuilderrc_Nuyg --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.10FmhJMw/b1 --logfile b1/build.log libgridxc_2.0.1-1.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.4:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.10FmhJMw/pbuilderrc_bf9U --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.10FmhJMw/b2 --logfile b2/build.log libgridxc_2.0.1-1.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink03-arm64 6.1.0-21-cloud-arm64 #1 SMP Debian 6.1.90-1 (2024-05-03) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-21-cloud-arm64 #1 SMP Debian 6.1.90-1 (2024-05-03) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Jun 17 14:05 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3225358/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 May 15 07:44 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/3002307/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -180,7 +212,7 @@ Get: 64 http://deb.debian.org/debian unstable/main arm64 pkgconf-bin arm64 1.8.1-1+b2 [29.3 kB] Get: 65 http://deb.debian.org/debian unstable/main arm64 pkgconf arm64 1.8.1-1+b2 [26.2 kB] Get: 66 http://deb.debian.org/debian unstable/main arm64 pkg-config arm64 1.8.1-1+b2 [14.0 kB] -Fetched 54.5 MB in 0s (183 MB/s) +Fetched 54.5 MB in 0s (202 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libproc2-0:arm64. (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 ... 19746 files and directories currently installed.) @@ -466,7 +498,11 @@ fakeroot is already the newest version (1.34-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/reproducible-path/libgridxc-2.0.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../libgridxc_2.0.1-1_source.changes +I: user script /srv/workspace/pbuilder/3002307/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/3002307/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/libgridxc-2.0.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../libgridxc_2.0.1-1_source.changes dpkg-buildpackage: info: source package libgridxc dpkg-buildpackage: info: source version 2.0.1-1 dpkg-buildpackage: info: source distribution unstable @@ -523,7 +559,7 @@ -- Searching for libXC library - found -- Configuring docs -- Configuring libgridxc tests... --- Configuring done (0.9s) +-- Configuring done (0.8s) -- Generating done (0.0s) CMake Warning: Manually-specified variables were not used by the project: @@ -552,67 +588,67 @@ make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' [ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o -[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o +[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o +[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/m_walltime.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o [ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o -[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o -[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o +[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/precision.F90 -o CMakeFiles/libgridxc-lib.dir/src/precision.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/gridxc_config.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o -/usr/bin/f95 -DHAVE_LIBXC 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-I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/bessph.F90 -o CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o +[ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/gridxc_fft_gpfa.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sys.F90.o.provides.build [ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/m_io.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cellsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_cellsubs.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_bessph.mod CMakeFiles/libgridxc-lib.dir/gridxc_bessph.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_io.mod CMakeFiles/libgridxc-lib.dir/gridxc_io.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_sorting.mod CMakeFiles/libgridxc-lib.dir/gridxc_sorting.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_am05.mod CMakeFiles/libgridxc-lib.dir/gridxc_am05.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/am05.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_sorting.mod CMakeFiles/libgridxc-lib.dir/gridxc_sorting.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o.provides.build [ 31%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/minvec.F90 -o CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_am05.mod CMakeFiles/libgridxc-lib.dir/gridxc_am05.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/am05.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_lda.mod CMakeFiles/libgridxc-lib.dir/gridxc_lda.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_minvec.mod CMakeFiles/libgridxc-lib.dir/gridxc_minvec.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_minvec.mod CMakeFiles/libgridxc-lib.dir/gridxc_minvec.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o.provides.build [ 33%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/chkgmx.F90 -o CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_chkgmx.mod CMakeFiles/libgridxc-lib.dir/gridxc_chkgmx.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_interpolation.mod CMakeFiles/libgridxc-lib.dir/gridxc_interpolation.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o.provides.build [ 35%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/mesh1d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_chkgmx.mod CMakeFiles/libgridxc-lib.dir/gridxc_chkgmx.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_array.mod CMakeFiles/libgridxc-lib.dir/gridxc_array.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/array.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_mesh1d.mod CMakeFiles/libgridxc-lib.dir/gridxc_mesh1d.mod.stamp GNU @@ -623,10 +659,10 @@ /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/xc_hybrids.F90 -o CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_alloc.mod CMakeFiles/libgridxc-lib.dir/gridxc_alloc.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o.provides.build -[ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o +[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o [ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/moreParallelSubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_hybrids.mod CMakeFiles/libgridxc-lib.dir/gridxc_hybrids.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o.provides.build [ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o @@ -644,11 +680,11 @@ /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fft_gpfa.mod CMakeFiles/libgridxc-lib.dir/gridxc_fft_gpfa.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_dp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_dp.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_sp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_sp.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o.provides.build -[ 47%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o -[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o +[ 47%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o +[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_radfft.mod CMakeFiles/libgridxc-lib.dir/gridxc_radfft.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o.provides.build [ 50%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o @@ -669,10 +705,10 @@ /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/xcmod.F90 -o CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_xcmod.mod CMakeFiles/libgridxc-lib.dir/gridxc_xcmod.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o.provides.build -[ 58%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/cellxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o -[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o +[ 58%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o +[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/cellxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_atom.mod CMakeFiles/libgridxc-lib.dir/gridxc_atom.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cell.mod CMakeFiles/libgridxc-lib.dir/gridxc_cell.mod.stamp GNU @@ -680,8 +716,8 @@ [ 62%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/gridxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc.mod CMakeFiles/libgridxc-lib.dir/gridxc.mod.stamp GNU -[ 64%] Linking Fortran static library libgridxc.a /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o.provides.build +[ 64%] Linking Fortran static library libgridxc.a /usr/bin/cmake -P CMakeFiles/libgridxc-lib.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-lib.dir/link.txt --verbose=1 /usr/bin/ar qc libgridxc.a "CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/am05.F90.o" "CMakeFiles/libgridxc-lib.dir/src/array.F90.o" "CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o" "CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o" "CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o" "CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o" "CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o" "CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o" "CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o" "CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o" "CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o" "CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o" "CMakeFiles/libgridxc-lib.dir/src/precision.F90.o" "CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o" "CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o" "CMakeFiles/libgridxc-lib.dir/src/sys.F90.o" "CMakeFiles/libgridxc-lib.dir/src/vdwxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o" @@ -694,143 +730,143 @@ make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" +make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" +make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". 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Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -Scanning dependencies of target libgridxc-test4 -Scanning dependencies of target libgridxc-test1 +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". +Scanning dependencies of target libgridxc-test3 Scanning dependencies of target libgridxc-test2 -Scanning dependencies of target libgridxc-test_libxc -Scanning dependencies of target libgridxc-test6 Scanning dependencies of target libgridxc-test_libxc2 -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". +Scanning dependencies of target libgridxc-test_libxc +Scanning dependencies of target libgridxc-test_match Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +Scanning dependencies of target libgridxc-test_hse06 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -Scanning dependencies of target libgridxc-test3 -make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +Scanning dependencies of target libgridxc-test4 make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build +Scanning dependencies of target libgridxc-test1 +make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build -Scanning dependencies of target libgridxc-test_hse06 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build +make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build +[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". -Scanning dependencies of target libgridxc-test_match -[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o -[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o -[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o -[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o +[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o -[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o -[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o +[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o +[ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o +[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o [ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -[ 84%] Linking Fortran executable libgridxc-test_hse06 -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1 -[ 86%] Linking Fortran executable libgridxc-test_match -[ 88%] Linking Fortran executable libgridxc-test_libxc -/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so +[ 84%] Linking Fortran executable libgridxc-test_match cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1 -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so +[ 86%] Linking Fortran executable libgridxc-test_libxc +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so -[ 90%] Linking Fortran executable libgridxc-test_libxc2 +[ 88%] Linking Fortran executable libgridxc-test_libxc2 cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 -[ 92%] Linking Fortran executable libgridxc-test2 +[ 90%] Linking Fortran executable libgridxc-test2 cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 +[ 92%] Linking Fortran executable libgridxc-test_hse06 +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so +/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' [ 94%] Linking Fortran executable libgridxc-test6 cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1 +[ 94%] Built target libgridxc-test_match make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -[ 94%] Built target libgridxc-test_hse06 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' [ 94%] Built target libgridxc-test_libxc -[ 94%] Built target libgridxc-test_match make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +[ 94%] Built target libgridxc-test_hse06 +[ 94%] Built target libgridxc-test_libxc2 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +[ 94%] Built target libgridxc-test2 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -[ 94%] Built target libgridxc-test_libxc2 [ 94%] Built target libgridxc-test6 -[ 94%] Built target libgridxc-test2 [ 96%] Linking Fortran executable libgridxc-test4 cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so [ 98%] Linking Fortran executable libgridxc-test1 cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test1.dir/test1.f90.o" -o libgridxc-test1 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' [ 98%] Built target libgridxc-test4 +[ 98%] Built target libgridxc-test1 [100%] Linking Fortran executable libgridxc-test3 cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test3.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test3.dir/test3.F90.o" -o libgridxc-test3 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -[100%] Built target libgridxc-test1 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' [100%] Built target libgridxc-test3 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/CMakeFiles 0 @@ -1737,10 +1773,25 @@ 6: 1 1.800 0.031761587 -0.886131875 -0.886131881 0.000000007 6: 1 2.000 0.028883127 -0.861091739 -0.861091735 -0.000000004 6: 1 2.200 0.026004187 -0.834328425 -0.834328427 0.000000002 +6: 1 2.400 0.023179251 -0.806073217 -0.806073215 -0.000000002 +6: 1 2.600 0.020455616 -0.776561113 -0.776561114 0.000000001 +6: 1 2.800 0.017872394 -0.746026275 -0.746026269 -0.000000005 +6: 1 3.000 0.015460016 -0.714697437 -0.714697440 0.000000002 +6: 1 3.200 0.013240188 -0.682792452 -0.682792452 0.000000000 +6: 1 3.400 0.011226266 -0.650510776 -0.650510776 0.000000000 +6: 1 3.600 0.009423960 -0.618021733 -0.618021733 0.000000001 +6: 1 3.800 0.007832284 -0.585445444 -0.585445445 0.000000001 +6: 1 4.000 0.006444664 -0.552823710 -0.552823707 -0.000000003 +6: 1 4.200 0.005250115 -0.520082870 -0.520082868 -0.000000001 +6: 1 4.400 0.004234421 -0.487004137 -0.487004137 -0.000000000 +6: 1 4.600 0.003381238 -0.453240679 -0.453240677 -0.000000001 7: dr, rMax = 0.200000 20.000000 7: iSpin r dens Vxc dExc/dDens diff 7: 1 0.000 0.047620227 -0.980238765 7: 1 0.200 0.047382720 -0.982776277 -0.982775986 -0.000000291 +7: 1 0.400 0.046677283 -0.990388812 -0.990388888 0.000000076 +7: 1 0.600 0.045524817 -0.975266071 -0.975266027 -0.000000045 +7: 1 0.800 0.043959010 -0.975102121 -0.975102140 0.000000019 8: Ex, Ec: -4.3915197423832737 -0.63516421031254988 8: -1.00270 -1.00104 -0.99606 -0.98881 -0.97797 -0.96486 8: -0.94869 -0.93017 -0.90922 -0.88613 -0.86109 -0.83433 @@ -1898,6 +1949,52 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.383287927 -0.264927425 0.118360502 2 1: GGA PBEJsJrLO 0 2 Ex -0.504023323 -0.622383815 0.118360492 2 1: GGA PBEJsJrLO 0 3 Ex 0.007047966 -0.593161565 0.600209531 2 +6: 1 4.800 0.002673091 -0.418441530 -0.418441531 0.000000001 +6: 1 5.000 0.002092223 -0.382520889 -0.382520889 0.000000001 +6: 1 5.200 0.001621280 -0.346003183 -0.346003183 0.000000000 +6: 1 5.400 0.001243837 -0.310216436 -0.310216435 -0.000000001 +6: 1 5.600 0.000944766 -0.277074102 -0.277074102 -0.000000001 +6: 1 5.800 0.000710460 -0.248426892 -0.248426893 0.000000001 +7: 1 1.000 0.042024703 -0.956001234 -0.956001233 -0.000000001 +7: 1 1.200 0.039775757 -0.943081485 -0.943081491 0.000000006 +9: Built-in Ex, Ec, sum: -4.35557595 -0.64530376 -5.00087971 +9: -0.96381 -0.96241 -0.95818 -0.95085 -0.94096 -0.92821 +9: -0.91301 -0.89533 -0.87543 -0.85345 -0.82960 -0.80409 +9: -0.77712 -0.74892 -0.71968 -0.68963 -0.65894 -0.62781 +9: -0.59638 -0.56477 -0.53302 -0.50110 -0.46885 -0.43600 +9: -0.40231 -0.36779 -0.33297 -0.29914 -0.26803 -0.24125 +9: -0.21962 -0.20283 -0.18970 -0.17872 -0.16848 -0.15809 +9: -0.14712 -0.13555 -0.12361 -0.11161 -0.09987 -0.08863 +9: -0.07810 -0.06838 -0.05953 -0.05157 -0.04446 -0.03816 +9: -0.03262 -0.02778 -0.02356 -0.01992 -0.01677 -0.01408 +9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 +9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 +9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: libxc Ex, Ec, sum: -2.09822342 -2.09822342 -4.19644685 +9: -0.77367 -0.77146 -0.76482 -0.76250 -0.75239 -0.74512 +9: -0.73278 -0.72042 -0.70583 -0.69001 -0.67289 -0.65467 +9: -0.63545 -0.61533 -0.59429 -0.57225 -0.54897 -0.52411 +9: -0.49730 -0.46848 -0.43849 -0.40992 -0.38698 -0.37290 +9: -0.36315 -0.34398 -0.30778 -0.26529 -0.23213 -0.21168 +9: -0.19843 -0.18753 -0.17708 -0.16672 -0.15639 -0.14595 +9: -0.13516 -0.12347 -0.11059 -0.10133 -0.09618 -0.08875 +9: -0.07873 -0.06891 -0.05991 -0.05182 -0.04462 -0.03827 +9: -0.03269 -0.02782 -0.02359 -0.01993 -0.01678 -0.01408 +9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 +9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 +9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00033 +9: -0.00026 -0.00020 -0.00016 -0.00012 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 +1/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec +2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec 1: GGA PBEJsJrLO 0 4 Ex 0.008842355 -0.320809494 0.329651848 2 1: GGA PBEJsJrHEG 0 1 Ex -0.399421073 -0.315833039 0.083588034 2 1: GGA PBEJsJrHEG 0 2 Ex -0.527494013 -0.611082038 0.083588025 2 @@ -1965,49 +2062,17 @@ 1: GGA LYP 0 1 Ec -1.279779069 -1.163172591 0.116606478 2 1: GGA LYP 0 2 Ex -0.491743075 -0.526077398 0.034334323 2 1: GGA LYP 0 2 Ec -0.800487050 -0.917093528 0.116606478 2 +6: 1 6.000 0.000528944 -0.225324029 -0.225324031 0.000000002 +6: 1 6.200 0.000389881 -0.207630641 -0.207630642 0.000000001 +6: 1 6.400 0.000284517 -0.194187231 -0.194187233 0.000000002 +6: 1 6.600 0.000205559 -0.183339501 -0.183339503 0.000000002 +7: 1 1.400 0.037272568 -0.921422546 -0.921422551 0.000000005 +7: 1 1.600 0.034579382 -0.899005838 -0.899005845 0.000000007 1: GGA LYP 0 3 Ex 0.017173036 0.146920220 0.129747184 2 1: GGA LYP 0 3 Ec 0.631527671 0.616200182 0.015327489 2 1: GGA LYP 0 4 Ex -0.007172620 0.272280069 0.279452689 2 1: GGA LYP 0 4 Ec -0.263768631 -0.406408831 0.142640200 2 1: GGA WC 0 1 Ex -0.573764356 -0.519322293 0.054442062 2 -6: 1 2.400 0.023179251 -0.806073217 -0.806073215 -0.000000002 -9: Built-in Ex, Ec, sum: -4.35557595 -0.64530376 -5.00087971 -9: -0.96381 -0.96241 -0.95818 -0.95085 -0.94096 -0.92821 -9: -0.91301 -0.89533 -0.87543 -0.85345 -0.82960 -0.80409 -9: -0.77712 -0.74892 -0.71968 -0.68963 -0.65894 -0.62781 -9: -0.59638 -0.56477 -0.53302 -0.50110 -0.46885 -0.43600 -9: -0.40231 -0.36779 -0.33297 -0.29914 -0.26803 -0.24125 -9: -0.21962 -0.20283 -0.18970 -0.17872 -0.16848 -0.15809 -9: -0.14712 -0.13555 -0.12361 -0.11161 -0.09987 -0.08863 -9: -0.07810 -0.06838 -0.05953 -0.05157 -0.04446 -0.03816 -9: -0.03262 -0.02778 -0.02356 -0.01992 -0.01677 -0.01408 -9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 -9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 -9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: libxc Ex, Ec, sum: -2.09822342 -2.09822342 -4.19644685 -9: -0.77367 -0.77146 -0.76482 -0.76250 -0.75239 -0.74512 -9: -0.73278 -0.72042 -0.70583 -0.69001 -0.67289 -0.65467 -9: -0.63545 -0.61533 -0.59429 -0.57225 -0.54897 -0.52411 -9: -0.49730 -0.46848 -0.43849 -0.40992 -0.38698 -0.37290 -9: -0.36315 -0.34398 -0.30778 -0.26529 -0.23213 -0.21168 -9: -0.19843 -0.18753 -0.17708 -0.16672 -0.15639 -0.14595 -9: -0.13516 -0.12347 -0.11059 -0.10133 -0.09618 -0.08875 -9: -0.07873 -0.06891 -0.05991 -0.05182 -0.04462 -0.03827 -9: -0.03269 -0.02782 -0.02359 -0.01993 -0.01678 -0.01408 -9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 -9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 -9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00033 -9: -0.00026 -0.00020 -0.00016 -0.00012 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 -1/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec 1: GGA WC 0 2 Ex -0.532479456 -0.586921538 0.054442083 2 1: GGA WC 0 3 Ex 0.054398061 0.132643822 0.078245761 2 1: GGA WC 0 4 Ex -0.022720306 0.115156367 0.137876674 2 @@ -2039,10 +2104,15 @@ 1: GGA AM05 0 3 Ec 0.011695711 0.005384315 0.006311396 2 1: GGA AM05 0 4 Ex 0.012849063 0.123702109 0.110853047 2 1: GGA AM05 0 4 Ec -0.004884919 -0.015976952 0.011092033 2 +6: 1 6.800 0.000147033 -0.173510692 -0.173510693 0.000000001 +6: 1 7.000 0.000104122 -0.163573430 -0.163573432 0.000000002 1: GGA PW86 0 1 Ex -0.566128118 -0.484244854 0.081883264 2 1: GGA PW86 0 2 Ex -0.513462089 -0.595345380 0.081883290 2 1: GGA PW86 0 3 Ex 0.069394134 0.210197401 0.140803267 2 1: GGA PW86 0 4 Ex -0.028983680 0.233739608 0.262723288 2 +6: 1 7.200 0.000072999 -0.152957536 -0.152957538 0.000000003 +6: 1 7.400 0.000050669 -0.141563831 -0.141563835 0.000000004 +7: 1 1.800 0.031761587 -0.874045663 -0.874045664 0.000000001 1: GGA B88 0 1 Ex -0.504714196 -0.470383972 0.034330225 2 1: GGA B88 0 2 Ex -0.491676328 -0.526006590 0.034330262 2 1: GGA B88 0 3 Ex 0.017179036 0.146916923 0.129737887 2 @@ -2052,6 +2122,7 @@ 1: GGA C09 0 3 Ex 0.125521924 0.181476435 0.055954511 2 1: GGA C09 0 4 Ex -0.052426438 0.046118144 0.098544582 2 1: GGA BH 0 1 Ex -0.578986381 -0.548475317 0.030511064 2 +6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 1: GGA BH 0 2 Ex -0.533817581 -0.564328670 0.030511090 2 1: GGA BH 0 3 Ex 0.059515590 0.126241318 0.066725728 2 1: GGA BH 0 4 Ex -0.024857732 0.107179532 0.132037264 2 @@ -2068,13 +2139,12 @@ 1: GGA PBE 0 1 Ex -0.205204735 -0.901817109 0.696612374 2 1: GGA PBE 0 2 Ex -0.254597326 0.442015023 0.696612349 2 1: GGA PBE 0 3 Ex 0.058648797 0.567879039 0.509230242 2 +7: 1 2.000 0.028883127 -0.847548881 -0.847548884 0.000000004 +6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 1: GGA PBE 0 4 Ex 0.016268297 -0.762055142 0.778323439 2 1: GGA RPBE 0 1 Ex -0.200278503 -1.226031289 1.025752786 2 1: GGA RPBE 0 2 Ex -0.257619121 0.768133639 1.025752760 2 1: GGA RPBE 0 3 Ex 0.068086291 0.806401916 0.738315625 2 -6: 1 2.600 0.020455616 -0.776561113 -0.776561114 0.000000001 -6: 1 2.800 0.017872394 -0.746026275 -0.746026269 -0.000000005 -2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec 1: GGA RPBE 0 4 Ex 0.018886116 -1.085656681 1.104542797 2 1: GGA revPBE 0 1 Ex -0.212525140 -1.262082218 1.049557078 2 1: GGA revPBE 0 2 Ex -0.291614011 0.757943039 1.049557050 2 @@ -2086,6 +2156,7 @@ 1: GGA LYP 0 2 Ec -0.378919007 -0.461529254 0.082610247 2 1: GGA LYP 0 3 Ex 0.035805548 1.216473041 1.180667493 2 1: GGA LYP 0 3 Ec 0.415667479 0.322339454 0.093328025 2 +6: 1 8.000 0.000015954 -0.105308033 -0.105308040 0.000000008 1: GGA LYP 0 4 Ex 0.009931922 -2.941807318 2.951739240 2 1: GGA LYP 0 4 Ec 0.115299928 0.326349030 0.211049101 2 1: GGA WC 0 1 Ex -0.191741525 -0.967815992 0.776074468 2 @@ -2098,6 +2169,7 @@ 1: GGA PBEJsJrLO 0 4 Ex 0.017119541 -0.760248753 0.777368295 2 1: GGA PBEJsJrHEG 0 1 Ex -0.192179754 -0.670355422 0.478175668 2 1: GGA PBEJsJrHEG 0 2 Ex -0.227052791 0.251122855 0.478175646 2 +6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 1: GGA PBEJsJrHEG 0 3 Ex 0.041408270 0.390939290 0.349531020 2 1: GGA PBEJsJrHEG 0 4 Ex 0.011486033 -0.522706761 0.534192795 2 1: GGA PBEGcGxLO 0 1 Ex -0.192725330 -0.851465809 0.658740479 2 @@ -2106,10 +2178,11 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.017260524 -0.740408203 0.757668728 2 1: GGA PBEGcGxHEG 0 1 Ex -0.188622313 -0.666628452 0.478006140 2 1: GGA PBEGcGxHEG 0 2 Ex -0.224667036 0.253339082 0.478006118 2 -6: 1 3.000 0.015460016 -0.714697437 -0.714697440 0.000000002 1: GGA PBEGcGxHEG 0 3 Ex 0.042799530 0.393346517 0.350546987 2 +7: 1 2.200 0.026004187 -0.819424112 -0.819424110 -0.000000001 1: GGA PBEGcGxHEG 0 4 Ex 0.011871948 -0.526240856 0.538112804 2 1: GGA PBESOL 0 1 Ex -0.192725330 -0.851465809 0.658740479 2 +6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000011 1: GGA PBESOL 0 2 Ex -0.245130446 0.413610010 0.658740456 2 1: GGA PBESOL 0 3 Ex 0.062225873 0.549779416 0.487553543 2 1: GGA PBESOL 0 4 Ex 0.017260524 -0.740408203 0.757668728 2 @@ -2124,7 +2197,7 @@ 1: GGA PW86 0 1 Ex -0.201756747 -0.824943687 0.623186940 2 1: GGA PW86 0 2 Ex -0.240508332 0.382678579 0.623186911 2 1: GGA PW86 0 3 Ex 0.046013660 0.681115348 0.635101688 2 -6: 1 3.200 0.013240188 -0.682792452 -0.682792452 0.000000000 +6: 1 8.600 0.000004589 -0.072448262 -0.072448275 0.000000013 1: GGA PW86 0 4 Ex 0.012763500 -1.330803156 1.343566655 2 1: GGA B88 0 1 Ex -0.166434521 -1.025870385 0.859435864 2 1: GGA B88 0 2 Ex -0.196588132 0.662847695 0.859435826 2 @@ -2137,6 +2210,7 @@ 1: GGA BH 0 1 Ex -0.162550192 -1.317026440 1.154476247 2 1: GGA BH 0 2 Ex -0.225280001 0.929196218 1.154476219 2 1: GGA BH 0 3 Ex 0.074485419 1.084511063 1.010025643 2 +6: 1 8.800 0.000002969 -0.063127570 -0.063127580 0.000000010 1: GGA BH 0 4 Ex 0.020661139 -1.868012433 1.888673572 2 1: 1: iSpin dens gradDens @@ -2148,13 +2222,13 @@ 1: GGA PW91 0 2 Ex -0.596114837 -0.603927491 0.007812654 2 1: GGA PW91 0 3 Ex 0.101898856 0.139724998 0.037826142 2 1: GGA PW91 0 4 Ex 0.041359039 -0.034460967 0.075820006 2 +7: 1 2.400 0.023179251 -0.789580695 -0.789580690 -0.000000006 1: GGA PBE 0 1 Ex -0.820946335 -0.811640639 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-1.404276289 0.430124871 2 1: GGA WC 0 3 Ex -0.001228945 0.280218263 0.281447207 2 1: GGA WC 0 4 Ex -0.010565064 0.017587016 0.028152081 2 +6: 2 10.000 0.000000117 -0.021880577 -0.021880500 -0.000000077 1: GGA PBEJsJrLO 0 1 Ex -0.983815848 -0.510080209 0.473735639 2 1: GGA PBEJsJrLO 0 2 Ex -0.997550882 -1.471286521 0.473735639 2 -7: 1 2.600 0.020455616 -0.758088403 -0.758088403 -0.000000001 1: GGA PBEJsJrLO 0 3 Ex -0.005642938 0.236458812 0.242101750 2 1: GGA PBEJsJrLO 0 4 Ex -0.048511538 -0.009608990 0.038902548 2 1: GGA PBEJsJrHEG 0 1 Ex -1.018740699 -0.561563367 0.457177333 2 @@ -3003,6 +3123,8 @@ 1: GGA PBEJsJrHEG 0 4 Ex -0.076293648 -0.030511461 0.045782186 2 1: GGA PBEGcGxLO 0 1 Ex -0.975413681 -0.588095023 0.387318658 2 1: GGA PBEGcGxLO 0 2 Ex -0.983538164 -1.370856823 0.387318659 2 +7: 1 6.400 0.000284517 -0.190918393 -0.190918393 -0.000000001 +6: 2 10.200 0.000000071 -0.018492378 -0.018492312 -0.000000065 1: GGA PBEGcGxLO 0 3 Ex -0.003337884 0.233758814 0.237096699 2 1: GGA PBEGcGxLO 0 4 Ex -0.028695318 -0.001444161 0.027251157 2 1: GGA PBEGcGxHEG 0 1 Ex -1.007910020 -0.625579253 0.382330767 2 @@ -3015,7 +3137,6 @@ 1: GGA PBESOL 0 4 Ex -0.028695318 -0.001444161 0.027251157 2 1: GGA AM05 0 1 Ex -0.933891827 -0.825157627 0.108734200 2 1: GGA AM05 0 1 Ec -0.075619112 -0.106350756 0.030731644 2 -6: 1 9.200 0.000001206 -0.047188843 -0.047188796 -0.000000047 1: GGA AM05 0 2 Ex -0.922534871 -1.031269071 0.108734200 2 1: GGA AM05 0 2 Ec -0.073244547 -0.042512904 0.030731644 2 1: GGA AM05 0 3 Ex 0.004665923 0.242551090 0.237885168 2 @@ -3031,7 +3152,6 @@ 1: GGA B88 0 3 Ex -0.000712827 0.378342828 0.379055654 2 1: GGA B88 0 4 Ex -0.006128069 0.032752219 0.038880288 2 1: GGA C09 0 1 Ex -0.894903939 -0.642564364 0.252339574 2 -7: 1 2.800 0.017872394 -0.725194479 -0.725194482 0.000000002 1: GGA C09 0 2 Ex -0.875637998 -1.127977573 0.252339574 2 1: GGA C09 0 3 Ex 0.007915271 0.375635650 0.367720379 2 1: GGA C09 0 4 Ex 0.068046460 0.060995005 0.007051455 2 @@ -3052,7 +3172,6 @@ 1: GGA PBE 0 1 Ex -1.460054636 -1.498311347 0.038256711 2 1: GGA PBE 0 2 Ex -1.507230447 -1.468973736 0.038256712 2 1: GGA PBE 0 3 Ex -0.163431637 -0.154395238 0.009036399 2 -6: 1 9.400 0.000000757 -0.040518186 -0.040518098 -0.000000088 1: GGA PBE 0 4 Ex 0.049890178 0.097579519 0.047689341 2 1: GGA RPBE 0 1 Ex -1.478332130 -1.517449940 0.039117810 2 1: GGA RPBE 0 2 Ex -1.520568023 -1.481450212 0.039117811 2 @@ -3064,6 +3183,12 @@ 1: GGA revPBE 0 4 Ex 0.008756246 0.058044856 0.049288610 2 1: GGA LYP 0 1 Ex -1.294571901 -1.378601068 0.084029167 2 1: GGA LYP 0 1 Ec -0.233215392 -0.239146257 0.005930865 2 +6: 2 10.400 0.000000042 -0.015573224 -0.015573161 -0.000000063 +6: 2 10.600 0.000000025 -0.013068736 -0.013068681 -0.000000054 +6: 2 10.800 0.000000015 -0.010928714 -0.010928684 -0.000000031 +6: 2 11.000 0.000000008 -0.009107337 -0.009107284 -0.000000053 +7: 1 6.600 0.000205559 -0.178797194 -0.178797195 0.000000002 +7: 1 6.800 0.000147033 -0.170379794 -0.170379797 0.000000004 1: GGA LYP 0 2 Ex -1.381894569 -1.297865403 0.084029166 2 1: GGA LYP 0 2 Ec -0.190492876 -0.184562011 0.005930865 2 1: GGA LYP 0 3 Ex -0.302512792 -0.288752728 0.013760063 2 @@ -3074,9 +3199,9 @@ 1: GGA WC 0 2 Ex -1.506238965 -1.471261553 0.034977411 2 1: GGA WC 0 3 Ex -0.170896609 -0.162654664 0.008241944 2 1: GGA WC 0 4 Ex 0.052168982 0.095705382 0.043536400 2 +6: 2 11.200 0.000000005 -0.007563161 -0.007563160 -0.000000000 1: GGA PBEJsJrLO 0 1 Ex -1.457108572 -1.484353985 0.027245413 2 1: GGA PBEJsJrLO 0 2 Ex -1.507965815 -1.480720402 0.027245413 2 -7: 1 3.000 0.015460016 -0.691188323 -0.691188321 -0.000000002 1: GGA PBEJsJrLO 0 3 Ex -0.176185256 -0.169794727 0.006390529 2 1: GGA PBEJsJrLO 0 4 Ex 0.053783428 0.087599248 0.033815820 2 1: GGA PBEJsJrHEG 0 1 Ex -1.365107756 -1.391472189 0.026364433 2 @@ -3086,8 +3211,8 @@ 1: GGA PBEGcGxLO 0 1 Ex -1.453521410 -1.476179858 0.022658448 2 1: GGA PBEGcGxLO 0 2 Ex -1.506515394 -1.483856946 0.022658448 2 1: GGA PBEGcGxLO 0 3 Ex -0.183587590 -0.178307002 0.005280588 2 +6: 2 11.400 0.000000003 -0.006258998 -0.006258954 -0.000000044 1: GGA PBEGcGxLO 0 4 Ex 0.056043112 0.084054257 0.028011145 2 -6: 1 9.600 0.000000470 -0.034645149 -0.034645056 -0.000000093 1: GGA PBEGcGxHEG 0 1 Ex -1.364398513 -1.386291341 0.021892828 2 1: GGA PBEGcGxHEG 0 2 Ex -1.438993751 -1.417100923 0.021892829 2 1: GGA PBEGcGxHEG 0 3 Ex -0.258421031 -0.253266156 0.005154875 2 @@ -3100,10 +3225,13 @@ 1: GGA AM05 0 1 Ec -0.125014965 -0.122624187 0.002390778 2 1: GGA AM05 0 2 Ex -1.327270804 -1.296845491 0.030425313 2 1: GGA AM05 0 2 Ec -0.108179955 -0.110570733 0.002390778 2 +6: 2 11.600 0.000000002 -0.005161710 -0.005161564 -0.000000146 +6: avgDiffVxc, maxDiffVxc = 0.000000027 0.000000146 1: GGA AM05 0 3 Ex -0.406659104 -0.403559332 0.003099772 2 1: GGA AM05 0 3 Ec 0.058321693 0.057753198 0.000568495 2 1: GGA AM05 0 4 Ex 0.124139337 0.148678642 0.024539305 2 1: GGA AM05 0 4 Ec -0.017803650 -0.020796293 0.002992643 2 +7: 1 7.000 0.000104122 -0.165839032 -0.165839041 0.000000008 1: GGA PW86 0 1 Ex -1.410166466 -1.467825408 0.057658942 2 1: GGA PW86 0 2 Ex -1.463936433 -1.406277492 0.057658941 2 1: GGA PW86 0 3 Ex -0.186275835 -0.174553537 0.011722299 2 @@ -3116,16 +3244,15 @@ 1: GGA C09 0 2 Ex -1.641380366 -1.623187338 0.018193027 2 1: GGA C09 0 3 Ex -0.041742014 -0.037621579 0.004120434 2 1: GGA C09 0 4 Ex 0.012742432 0.034841876 0.022099444 2 -7: 1 3.200 0.013240188 -0.656330566 -0.656330565 -0.000000001 1: GGA BH 0 1 Ex -1.439604965 -1.470127207 0.030522242 2 1: GGA BH 0 2 Ex -1.497109477 -1.466587235 0.030522242 2 1: GGA BH 0 3 Ex -0.199213458 -0.193869759 0.005343699 2 -6: 1 9.800 0.000000289 -0.029506017 -0.029505927 -0.000000090 1: GGA BH 0 4 Ex 0.060813164 0.092749021 0.031935858 2 1: 1: iSpin dens gradDens 1: 1 0.000527294 0.002264898 0.000139149 -0.005221197 1: 2 0.000562678 -0.003700873 -0.001972534 0.003400039 +3/9 Test #6: libgridxc_test_libxc ............. Passed 0.04 sec 1: 3 0.000014743 -0.000607489 0.000282628 0.003930093 1: 4 -0.000027833 -0.000171194 0.001079980 -0.000619729 1: GGA PW91 0 1 Ex -0.107650222 -0.673287918 0.565637697 2 @@ -3150,6 +3277,7 @@ 1: GGA LYP 0 4 Ec -0.022433196 0.442346488 0.464779684 2 1: GGA WC 0 1 Ex -0.175583709 -0.149731941 0.025851768 2 1: GGA WC 0 2 Ex -0.178001567 -0.203853348 0.025851781 2 +7: 1 7.200 0.000072999 -0.163810071 -0.163810084 0.000000013 1: GGA WC 0 3 Ex -0.001007443 -0.014588484 0.013581041 2 1: GGA WC 0 4 Ex 0.001901862 -0.021724975 0.023626837 2 1: GGA PBEJsJrLO 0 1 Ex -0.175133968 -0.144689776 0.030444191 2 @@ -3160,8 +3288,6 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.155262618 -0.169898204 0.014635586 2 1: GGA PBEJsJrHEG 0 3 Ex -0.001018093 -0.008574895 0.007556803 2 1: GGA PBEJsJrHEG 0 4 Ex 0.001921967 -0.011384120 0.013306086 2 -6: 1 10.000 0.000000176 -0.025033604 -0.025033522 -0.000000082 -7: 1 3.400 0.011226266 -0.620864165 -0.620864161 -0.000000003 1: GGA PBEGcGxLO 0 1 Ex -0.173930951 -0.137132180 0.036798771 2 1: GGA PBEGcGxLO 0 2 Ex -0.175502921 -0.212301706 0.036798785 2 1: GGA PBEGcGxLO 0 3 Ex -0.000654989 -0.019705334 0.019050345 2 @@ -3174,6 +3300,7 @@ 1: GGA PBESOL 0 2 Ex -0.175502921 -0.212301706 0.036798785 2 1: GGA PBESOL 0 3 Ex -0.000654989 -0.019705334 0.019050345 2 1: GGA PBESOL 0 4 Ex 0.001236496 -0.032246031 0.033482527 2 +7: 1 7.400 0.000050669 -0.160866313 -0.160866326 0.000000012 1: GGA AM05 0 1 Ex -0.117099476 1.206446632 1.323546108 2 1: GGA AM05 0 1 Ec -0.025059137 -0.025228352 0.000169215 2 1: GGA AM05 0 2 Ex -0.113223730 -1.436769838 1.323546108 2 @@ -3190,7 +3317,6 @@ 1: GGA B88 0 2 Ex -0.137337457 -2.130694160 1.993356703 2 1: GGA B88 0 3 Ex 0.001986307 -1.182551639 1.184537946 2 1: GGA B88 0 4 Ex -0.003749771 -1.898304030 1.894554259 2 -6: 1 10.200 0.000000106 -0.021160723 -0.021160648 -0.000000074 1: GGA C09 0 1 Ex -0.217870698 -0.144140976 0.073729722 2 1: GGA C09 0 2 Ex -0.214145225 -0.287874964 0.073729739 2 1: GGA C09 0 3 Ex 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-0.013068681 -0.000000054 -6: 2 10.800 0.000000015 -0.010928714 -0.010928684 -0.000000031 -7: 1 9.000 0.000001902 -0.049506694 -0.049507028 0.000000334 1: GGA PW91 0 3 Ex 0.112009517 0.116128375 0.004118858 2 1: GGA PW91 0 4 Ex 0.149678351 0.118986954 0.030691397 2 1: GGA PBE 0 1 Ex -1.053398703 -1.077719598 0.024320894 2 @@ -5369,7 +5476,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex -0.031664188 -0.043341941 0.011677754 2 1: GGA PBEJsJrHEG 0 4 Ex -0.042312864 -0.012309927 0.030002936 2 1: GGA PBEGcGxLO 0 1 Ex -1.069012524 -1.087497310 0.018484785 2 -6: 2 11.000 0.000000008 -0.009107337 -0.009107284 -0.000000053 1: GGA PBEGcGxLO 0 2 Ex -1.011780773 -0.993295979 0.018484794 2 1: GGA PBEGcGxLO 0 3 Ex -0.016852195 -0.029012315 0.012160119 2 1: GGA PBEGcGxLO 0 4 Ex -0.022519593 0.010069053 0.032588646 2 @@ -5417,7 +5523,6 @@ 1: GGA PW91 0 4 Ex 0.056994027 0.038330864 0.018663163 2 1: GGA PBE 0 1 Ex -1.066077282 -1.108841406 0.042764124 2 1: GGA PBE 0 2 Ex -1.101462401 -1.058698286 0.042764115 2 -6: 2 11.200 0.000000005 -0.007563161 -0.007563160 -0.000000000 1: GGA PBE 0 3 Ex 0.030111940 -0.025282677 0.055394617 2 1: GGA PBE 0 4 Ex -0.026033270 -0.119169669 0.093136398 2 1: GGA RPBE 0 1 Ex -1.218185465 -1.260662360 0.042476896 2 @@ -5440,7 +5545,6 @@ 1: GGA WC 0 2 Ex -1.091086860 -1.048955336 0.042131524 2 1: GGA WC 0 3 Ex 0.042360987 -0.018888647 0.061249634 2 1: GGA WC 0 4 Ex -0.036623181 -0.136101993 0.099478812 2 -6: 2 11.400 0.000000003 -0.006258998 -0.006258954 -0.000000044 1: GGA PBEJsJrLO 0 1 Ex -1.012597238 -1.042618796 0.030021558 2 1: GGA PBEJsJrLO 0 2 Ex -1.079855353 -1.049833804 0.030021549 2 1: GGA PBEJsJrLO 0 3 Ex 0.057235143 -0.004505229 0.061740372 2 @@ -5471,8 +5575,6 @@ 1: GGA AM05 0 4 Ec 0.014401978 0.021580613 0.007178635 2 1: GGA PW86 0 1 Ex -0.975227730 -1.001037390 0.025809660 2 1: GGA PW86 0 2 Ex -1.064167959 -1.038358309 0.025809650 2 -6: 2 11.600 0.000000002 -0.005161710 -0.005161564 -0.000000146 -6: avgDiffVxc, maxDiffVxc = 0.000000027 0.000000146 1: GGA PW86 0 3 Ex 0.075686134 -0.025985974 0.101672108 2 1: GGA PW86 0 4 Ex -0.065434429 -0.200576198 0.135141769 2 1: GGA B88 0 1 Ex -0.822445774 -0.876467367 0.054021592 2 @@ -5509,7 +5611,6 @@ 1: GGA revPBE 0 2 Ex -1.643311183 -1.588238660 0.055072524 2 1: GGA revPBE 0 3 Ex 0.008233938 -0.223927208 0.232161146 2 1: GGA revPBE 0 4 Ex -0.020863873 -0.248995985 0.228132112 2 -3/9 Test #6: libgridxc_test_libxc ............. Passed 0.08 sec 1: GGA LYP 0 1 Ex -1.127488867 -1.196682084 0.069193217 2 1: GGA LYP 0 1 Ec -0.193738222 -0.193291267 0.000446955 2 1: GGA LYP 0 2 Ex -1.632111986 -1.562918769 0.069193217 2 @@ -5546,7 +5647,6 @@ 1: GGA AM05 0 1 Ec -0.106796654 -0.104393138 0.002403516 2 1: GGA AM05 0 2 Ex -1.675903620 -1.651714580 0.024189041 2 1: GGA AM05 0 2 Ec -0.074567902 -0.076971418 0.002403516 2 -7: 1 9.200 0.000001206 -0.043402831 -0.043404135 0.000001304 1: GGA AM05 0 3 Ex 0.053114455 -0.081212215 0.134326670 2 1: GGA AM05 0 3 Ec -0.002565653 0.005598527 0.008164180 2 1: GGA AM05 0 4 Ex -0.134586060 -0.247556116 0.112970056 2 @@ -5567,7 +5667,6 @@ 1: GGA BH 0 2 Ex -1.671775090 -1.638534007 0.033241083 2 1: GGA BH 0 3 Ex 0.017696426 -0.135780129 0.153476555 2 1: GGA BH 0 4 Ex -0.044840754 -0.187805825 0.142965071 2 -7: 1 9.400 0.000000757 -0.038686660 -0.038688834 0.000002175 1: 1: iSpin dens gradDens 1: 1 0.407402445 -19.033503470 13.981308032 -19.267821860 @@ -5617,7 +5716,6 @@ 1: GGA PBEGcGxHEG 0 1 Ex -0.589084642 -0.607129704 0.018045062 2 1: GGA PBEGcGxHEG 0 2 Ex -1.766885239 -1.748840185 0.018045055 2 1: GGA PBEGcGxHEG 0 3 Ex 0.237081043 0.219226811 0.017854232 2 -7: 1 9.600 0.000000470 -0.034934582 -0.034936830 0.000002248 1: GGA PBEGcGxHEG 0 4 Ex 0.370638937 0.410730897 0.040091960 2 1: GGA PBESOL 0 1 Ex -0.653584522 -0.672227237 0.018642715 2 1: GGA PBESOL 0 2 Ex -1.771699487 -1.753056780 0.018642707 2 @@ -5666,7 +5764,6 @@ 1: GGA RPBE 0 3 Ex 0.039264443 0.040716905 0.001452462 2 1: GGA RPBE 0 4 Ex -0.056796208 -0.057545714 0.000749506 2 1: GGA revPBE 0 1 Ex -0.264869237 -0.216651488 0.048217749 2 -7: 1 9.800 0.000000289 -0.031858263 -0.031860487 0.000002224 1: GGA revPBE 0 2 Ex -0.244506971 -0.292724750 0.048217779 2 1: GGA revPBE 0 3 Ex 0.016632294 0.033573778 0.016941484 2 1: GGA revPBE 0 4 Ex -0.024058694 -0.032751407 0.008692713 2 @@ -5716,7 +5813,6 @@ 1: GGA PW86 0 4 Ex 0.012158589 0.009546430 0.002612159 2 1: GGA B88 0 1 Ex -0.201926947 -0.008105331 0.193821616 2 1: GGA B88 0 2 Ex -0.223715333 -0.417536986 0.193821653 2 -7: 1 10.000 0.000000176 -0.029267821 -0.029269965 0.000002144 1: GGA B88 0 3 Ex -0.017797177 0.130843659 0.148640836 2 1: GGA B88 0 4 Ex 0.025743703 0.046481073 0.020737370 2 1: GGA C09 0 1 Ex -0.219944365 -0.132963653 0.086980712 2 @@ -5814,8 +5910,6 @@ 1: GGA PW91 0 1 Ex -1.630441679 -1.567890693 0.062550985 2 1: GGA PW91 0 2 Ex -1.731667621 -1.794218591 0.062550970 2 1: GGA PW91 0 3 Ex -0.055744691 -0.032419897 0.023324794 2 -7: 1 10.200 0.000000106 -0.027039672 -0.027041720 0.000002048 -7: 1 10.400 0.000000063 -0.025092806 -0.025094748 0.000001942 1: GGA PW91 0 4 Ex -0.319025454 -0.313177473 0.005847981 2 1: GGA PBE 0 1 Ex -1.320404874 -1.209496414 0.110908459 2 1: GGA PBE 0 2 Ex -1.315376626 -1.426285070 0.110908444 2 @@ -5842,7 +5936,6 @@ 1: GGA WC 0 3 Ex 0.009304563 -0.001977440 0.011282002 2 1: GGA WC 0 4 Ex 0.053249776 0.067927602 0.014677826 2 1: GGA PBEJsJrLO 0 1 Ex -1.302289896 -1.210443713 0.091846183 2 -7: 1 10.600 0.000000037 -0.023372816 -0.023374649 0.000001833 1: GGA PBEJsJrLO 0 2 Ex -1.286365080 -1.378211247 0.091846168 2 1: GGA PBEJsJrLO 0 3 Ex 0.008769728 -0.004771071 0.013540799 2 1: GGA PBEJsJrLO 0 4 Ex 0.050188932 0.067126241 0.016937309 2 @@ -5882,7 +5975,6 @@ 1: GGA C09 0 2 Ex -1.424123322 -1.505563950 0.081440629 2 1: GGA C09 0 3 Ex -0.011768983 -0.027547714 0.015778732 2 1: GGA C09 0 4 Ex -0.067353589 -0.051676062 0.015677528 2 -7: 1 10.800 0.000000022 -0.021841709 -0.021843441 0.000001733 1: GGA BH 0 1 Ex -1.246237729 -1.146006998 0.100230731 2 1: GGA BH 0 2 Ex -1.218560337 -1.318791053 0.100230716 2 1: GGA BH 0 3 Ex 0.015241821 -0.010482323 0.025724143 2 @@ -5928,7 +6020,6 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.684099874 -0.770310991 0.086211117 2 1: GGA PBEJsJrHEG 0 2 Ex -0.588291331 -0.502080209 0.086211122 2 1: GGA PBEJsJrHEG 0 3 Ex 0.019430233 -0.100739492 0.120169725 2 -7: 1 11.000 0.000000013 -0.020471625 -0.020473267 0.000001641 1: GGA PBEJsJrHEG 0 4 Ex -0.020297460 0.068135032 0.088432492 2 1: GGA PBEGcGxLO 0 1 Ex -0.689628726 -0.780826007 0.091197281 2 1: GGA PBEGcGxLO 0 2 Ex -0.570825594 -0.479628309 0.091197285 2 @@ -5973,7 +6064,6 @@ 1: 3 -0.494752285 7.485036181 -0.924011778 5.604051516 1: 4 0.633408537 0.554660029 7.664848560 2.628845278 1: GGA PW91 0 1 Ex -0.667468407 -0.711870373 0.044401966 2 -7: 1 11.200 0.000000007 -0.019241059 -0.019242609 0.000001549 1: GGA PW91 0 2 Ex -0.881225862 -0.836823889 0.044401973 2 1: GGA PW91 0 3 Ex 0.402856443 0.387178729 0.015677714 2 1: GGA PW91 0 4 Ex -0.515758528 -0.537205575 0.021447047 2 @@ -6005,6 +6095,12 @@ 1: GGA PBEJsJrLO 0 2 Ex -1.246688354 -1.216452987 0.030235366 2 1: GGA PBEJsJrLO 0 3 Ex 0.147254557 0.137650649 0.009603908 2 1: GGA PBEJsJrLO 0 4 Ex -0.188523220 -0.202290353 0.013767134 2 +7: 2 10.000 0.000000117 -0.029088011 -0.029090107 0.000002095 +7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 +7: 2 10.400 0.000000042 -0.024899792 -0.024901678 0.000001885 +7: 2 10.600 0.000000025 -0.023159554 -0.023161334 0.000001780 +7: 2 10.800 0.000000015 -0.021608555 -0.021610222 0.000001667 +7: 2 11.000 0.000000008 -0.020221667 -0.020223261 0.000001594 1: GGA PBEJsJrHEG 0 1 Ex -1.092134586 -1.121564618 0.029430032 2 1: GGA PBEJsJrHEG 0 2 Ex -1.191830462 -1.162400422 0.029430041 2 1: GGA PBEJsJrHEG 0 3 Ex 0.187891112 0.178504485 0.009386627 2 @@ -6015,7 +6111,6 @@ 1: GGA PBEGcGxLO 0 4 Ex -0.191172882 -0.202510984 0.011338102 2 1: GGA PBEGcGxHEG 0 1 Ex -1.093900862 -1.118288817 0.024387956 2 1: GGA PBEGcGxHEG 0 2 Ex -1.194517654 -1.170129690 0.024387965 2 -7: 1 11.400 0.000000004 -0.018132612 -0.018133958 0.000001346 1: GGA PBEGcGxHEG 0 3 Ex 0.189626711 0.181862624 0.007764087 2 1: GGA PBEGcGxHEG 0 4 Ex -0.242770334 -0.253888657 0.011118323 2 1: GGA PBESOL 0 1 Ex -1.170082379 -1.195035632 0.024953253 2 @@ -6079,7 +6174,6 @@ 1: GGA WC 0 1 Ex -0.343790556 -0.423980960 0.080190404 2 1: GGA WC 0 2 Ex -0.297257770 -0.217067374 0.080190396 2 1: GGA WC 0 3 Ex 0.015151781 0.102527532 0.087375750 2 -7: 1 11.600 0.000000002 -0.017131679 -0.017133083 0.000001404 1: GGA WC 0 4 Ex -0.049329877 0.015329521 0.064659398 2 1: GGA PBEJsJrLO 0 1 Ex -0.341226544 -0.430140637 0.088914093 2 1: GGA PBEJsJrLO 0 2 Ex -0.290908164 -0.201994079 0.088914085 2 @@ -6096,6 +6190,8 @@ 1: GGA PBEGcGxHEG 0 1 Ex -0.307839039 -0.374092541 0.066253502 2 1: GGA PBEGcGxHEG 0 2 Ex -0.282298353 -0.216044858 0.066253495 2 1: GGA PBEGcGxHEG 0 3 Ex 0.008316435 0.080501372 0.072184937 2 +7: 2 11.200 0.000000005 -0.018978407 -0.018979867 0.000001459 +7: 2 11.400 0.000000003 -0.017861495 -0.017862934 0.000001439 1: GGA PBEGcGxHEG 0 4 Ex -0.027075940 0.026344237 0.053420177 2 1: GGA PBESOL 0 1 Ex -0.340586358 -0.420208810 0.079622452 2 1: GGA PBESOL 0 2 Ex -0.291087767 -0.211465322 0.079622445 2 @@ -6111,7 +6207,6 @@ 1: GGA AM05 0 4 Ec -0.007126589 -0.009496473 0.002369884 2 1: GGA PW86 0 1 Ex -0.367783189 -0.486785939 0.119002750 2 1: GGA PW86 0 2 Ex -0.311637451 -0.192634710 0.119002741 2 -7: 1 11.800 0.000000001 -0.016225680 -0.016226785 0.000001105 1: GGA PW86 0 3 Ex 0.018281905 0.149357750 0.131075846 2 1: GGA PW86 0 4 Ex -0.059520665 0.036867129 0.096387794 2 1: GGA B88 0 1 Ex -0.319470586 -0.505206792 0.185736206 2 @@ -6162,9 +6257,6 @@ 1: GGA LYP 0 4 Ec 0.001487380 -0.006202272 0.007689653 2 1: GGA WC 0 1 Ex -1.260224605 -1.460640901 0.200416296 2 1: GGA WC 0 2 Ex -1.191326937 -0.990910638 0.200416299 2 -7: iSpin r dens Vxc dExc/dDens diff -7: 2 0.000 0.031746818 -0.900701729 -7: 2 0.200 0.031588480 -0.903820205 -0.903820409 0.000000204 1: GGA WC 0 3 Ex -0.031118636 -0.535069939 0.503951304 2 1: GGA WC 0 4 Ex -0.063986418 0.289000731 0.352987149 2 1: GGA PBEJsJrLO 0 1 Ex -1.223124788 -1.450377021 0.227252233 2 @@ -6205,7 +6297,6 @@ 1: GGA B88 0 4 Ex -0.054217099 0.438394133 0.492611232 2 1: GGA C09 0 1 Ex -1.192274418 -1.381403163 0.189128745 2 1: GGA C09 0 2 Ex -1.100533089 -0.911404341 0.189128749 2 -7: 2 0.400 0.031118189 -0.913175632 -0.913175713 0.000000081 1: GGA C09 0 3 Ex -0.041436308 -0.556466803 0.515030496 2 1: GGA C09 0 4 Ex -0.085201708 0.267096645 0.352298354 2 1: GGA BH 0 1 Ex -1.150201669 -1.360882714 0.210681045 2 @@ -6250,7 +6341,6 @@ 1: GGA PBEJsJrLO 0 4 Ex 0.004963260 -0.019817632 0.024780892 2 1: GGA PBEJsJrHEG 0 1 Ex -0.289518653 -0.292950114 0.003431461 2 1: GGA PBEJsJrHEG 0 2 Ex -0.310766585 -0.307335125 0.003431460 2 -7: 2 0.600 0.030349878 -0.898888840 -0.898888833 -0.000000007 1: GGA PBEJsJrHEG 0 3 Ex -0.014908141 -0.022959821 0.008051680 2 1: GGA PBEJsJrHEG 0 4 Ex 0.006752416 -0.005625403 0.012377819 2 1: GGA PBEGcGxLO 0 1 Ex -0.327170282 -0.335370795 0.008200513 2 @@ -6284,12 +6374,13 @@ 1: GGA C09 0 1 Ex -0.419483994 -0.423787687 0.004303694 2 1: GGA C09 0 2 Ex -0.443100894 -0.438797201 0.004303692 2 1: GGA C09 0 3 Ex -0.016570274 -0.027823784 0.011253509 2 +7: 2 11.600 0.000000002 -0.016855994 -0.016857351 0.000001357 +7: avgDiffVxc, maxDiffVxc = 0.000000679 0.000002261 1: GGA C09 0 4 Ex 0.007505255 -0.010569326 0.018074581 2 1: GGA BH 0 1 Ex -0.336335520 -0.424393409 0.088057889 2 1: GGA BH 0 2 Ex -0.325997569 -0.237939683 0.088057887 2 1: GGA BH 0 3 Ex 0.007253394 -0.109443886 0.116697280 2 1: GGA BH 0 4 Ex -0.003285315 -0.122385815 0.119100500 2 -7: 2 0.800 0.029306007 -0.900387339 -0.900387332 -0.000000008 1: 1: iSpin dens gradDens 1: 1 0.965263089 -2.249751961 2.801976386 3.174016176 @@ -6310,6 +6401,7 @@ 1: GGA RPBE 0 4 Ex 0.000236714 0.744078929 0.743842215 2 1: GGA revPBE 0 1 Ex -1.129339836 -1.035104644 0.094235192 2 1: GGA revPBE 0 2 Ex -1.080752713 -1.174987894 0.094235181 2 +4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.08 sec 1: GGA revPBE 0 3 Ex -0.028481338 -0.239203170 0.210721832 2 1: GGA revPBE 0 4 Ex -0.005040212 0.731502469 0.736542681 2 1: GGA LYP 0 1 Ex -1.133881699 -1.035954579 0.097927120 2 @@ -6337,7 +6429,6 @@ 1: GGA PBEGcGxLO 0 3 Ex -0.046320985 -0.173920315 0.127599330 2 1: GGA PBEGcGxLO 0 4 Ex -0.008197213 0.423520207 0.431717420 2 1: GGA PBEGcGxHEG 0 1 Ex -1.180946755 -1.139158950 0.041787804 2 -7: 2 1.000 0.028016469 -0.881655824 -0.881655830 0.000000005 1: GGA PBEGcGxHEG 0 2 Ex -1.142850084 -1.184637878 0.041787794 2 1: GGA PBEGcGxHEG 0 3 Ex -0.022331929 -0.125870727 0.103538798 2 1: GGA PBEGcGxHEG 0 4 Ex -0.003951979 0.379712240 0.383664220 2 @@ -6381,7 +6472,6 @@ 1: GGA PW91 0 4 Ex -0.142307024 -0.152711280 0.010404256 2 1: GGA PBE 0 1 Ex -0.467921094 -0.480110298 0.012189204 2 1: GGA PBE 0 2 Ex -0.499139386 -0.486950159 0.012189227 2 -7: 2 1.200 0.026517171 -0.869787130 -0.869787124 -0.000000006 1: GGA PBE 0 3 Ex 0.001036862 0.064211900 0.063175038 2 1: GGA PBE 0 4 Ex -0.019064712 -0.025608705 0.006543993 2 1: GGA RPBE 0 1 Ex -0.466312438 -0.484248117 0.017935679 2 @@ -6463,7 +6553,6 @@ 1: GGA PBE 0 3 Ex 0.119963134 0.257863816 0.137900682 2 1: GGA PBE 0 4 Ex -0.024137467 1.782227138 1.806364606 2 1: GGA RPBE 0 1 Ex -1.391399450 -0.163195910 1.228203540 2 -7: 2 1.400 0.024848378 -0.849409711 -0.849409714 0.000000003 1: GGA RPBE 0 2 Ex -1.464709100 -2.692912635 1.228203535 2 1: GGA RPBE 0 3 Ex 0.187424680 0.331105767 0.143681088 2 1: GGA RPBE 0 4 Ex -0.037711228 1.870179940 1.907891168 2 @@ -6502,7 +6591,6 @@ 1: GGA PBESOL 0 1 Ex -1.261948857 -0.376780048 0.885168809 2 1: GGA PBESOL 0 2 Ex -1.269883482 -2.155052287 0.885168805 2 1: GGA PBESOL 0 3 Ex 0.020285795 0.110311326 0.090025531 2 -7: 2 1.600 0.023052921 -0.829194760 -0.829194764 0.000000004 1: GGA PBESOL 0 4 Ex -0.004081652 1.303716372 1.307798024 2 1: GGA AM05 0 1 Ex -1.153985164 -0.539157529 0.614827635 2 1: GGA AM05 0 1 Ec -0.081444000 -0.181512763 0.100068763 2 @@ -6549,7 +6637,6 @@ 1: GGA revPBE 0 1 Ex -0.551736460 -0.492866131 0.058870329 2 1: GGA revPBE 0 2 Ex -0.507670438 -0.566540757 0.058870319 2 1: GGA revPBE 0 3 Ex -0.021716483 -0.009692494 0.012023990 2 -7: 2 1.800 0.021174391 -0.806916840 -0.806916838 -0.000000002 1: GGA revPBE 0 4 Ex -0.014528837 -0.121778244 0.107249406 2 1: GGA LYP 0 1 Ex -0.661362508 -0.580850932 0.080511576 2 1: GGA LYP 0 1 Ec -1.003528901 -1.011981459 0.008452559 2 @@ -6591,7 +6678,6 @@ 1: GGA AM05 0 3 Ec 0.033605552 0.033443758 0.000161794 2 1: GGA AM05 0 4 Ex 0.050721566 0.026000649 0.024720917 2 1: GGA AM05 0 4 Ec 0.022482903 0.023925942 0.001443039 2 -7: 2 2.000 0.019255418 -0.783153757 -0.783153752 -0.000000005 1: GGA PW86 0 1 Ex -0.660718662 -0.607187655 0.053531007 2 1: GGA PW86 0 2 Ex -0.848793685 -0.902324680 0.053530995 2 1: GGA PW86 0 3 Ex 0.092686563 0.097793198 0.005106634 2 @@ -6644,7 +6730,6 @@ 1: GGA WC 0 4 Ex -0.043613533 -0.056724903 0.013111370 2 1: GGA PBEJsJrLO 0 1 Ex -0.253102305 -0.260534991 0.007432687 2 1: GGA PBEJsJrLO 0 2 Ex -0.329198173 -0.321765462 0.007432712 2 -7: 2 2.200 0.017336125 -0.757597743 -0.757597746 0.000000004 1: GGA PBEJsJrLO 0 3 Ex 0.021384309 0.004041076 0.017343234 2 1: GGA PBEJsJrLO 0 4 Ex -0.038576632 -0.055521398 0.016944766 2 1: GGA PBEJsJrHEG 0 1 Ex -0.222429297 -0.226261362 0.003832065 2 @@ -6685,7 +6770,6 @@ 1: GGA C09 0 4 Ex -0.033829226 -0.069834868 0.036005642 2 1: GGA BH 0 1 Ex -0.310623723 -0.327861457 0.017237733 2 1: GGA BH 0 2 Ex -0.320655964 -0.303418211 0.017237752 2 -7: 2 2.400 0.015452834 -0.730277351 -0.730277354 0.000000003 1: GGA BH 0 3 Ex 0.002819240 -0.034114185 0.036933425 2 1: GGA BH 0 4 Ex -0.005085822 -0.042560744 0.037474922 2 1: @@ -6731,7 +6815,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex -0.037403556 -0.317210595 0.279807039 2 1: GGA PBEJsJrHEG 0 4 Ex 0.006105038 -0.605966131 0.612071169 2 1: GGA PBEGcGxLO 0 1 Ex -0.995278384 -1.439183594 0.443905211 2 -7: 2 2.600 0.013637077 -0.701421448 -0.701421447 -0.000000001 1: GGA PBEGcGxLO 0 2 Ex -1.050729262 -0.606824037 0.443905225 2 1: GGA PBEGcGxLO 0 3 Ex -0.060195323 -0.390813816 0.330618493 2 1: GGA PBEGcGxLO 0 4 Ex 0.009825129 -0.763113359 0.772938487 2 @@ -6777,7 +6860,6 @@ 1: GGA PW91 0 2 Ex -0.151588067 -0.104481951 0.047106115 2 1: GGA PW91 0 3 Ex -0.301242477 -0.275267960 0.025974518 2 1: GGA PW91 0 4 Ex 0.026553186 -0.079463775 0.106016961 2 -7: 2 2.800 0.011914930 -0.671294327 -0.671294330 0.000000004 1: GGA PBE 0 1 Ex -0.649805950 -0.694938092 0.045132142 2 1: GGA PBE 0 2 Ex -0.340095684 -0.294963551 0.045132133 2 1: GGA PBE 0 3 Ex -0.206532860 -0.181646805 0.024886055 2 @@ -6820,7 +6902,6 @@ 1: GGA PBEGcGxHEG 0 4 Ex 0.019818579 -0.038452130 0.058270709 2 1: GGA PBESOL 0 1 Ex -0.659463984 -0.686104178 0.026640194 2 1: GGA PBESOL 0 2 Ex -0.342522110 -0.315881925 0.026640185 2 -7: 2 3.000 0.010306678 -0.640127830 -0.640127828 -0.000000001 1: GGA PBESOL 0 3 Ex -0.211355318 -0.196665799 0.014689519 2 1: GGA PBESOL 0 4 Ex 0.018630032 -0.041326309 0.059956342 2 1: GGA AM05 0 1 Ex -1.217276162 -1.202629371 0.014646791 2 @@ -6867,8 +6948,8 @@ 1: GGA RPBE 0 4 Ex -0.014586976 0.112412256 0.126999233 2 1: GGA revPBE 0 1 Ex -0.685635220 -0.701244432 0.015609212 2 1: GGA revPBE 0 2 Ex -0.945417517 -0.929808311 0.015609206 2 +5/9 Test #5: libgridxc_test6 .................. Passed 0.09 sec 1: GGA revPBE 0 3 Ex -0.075078745 -0.140291954 0.065213209 2 -7: 2 3.200 0.008826792 -0.608140908 -0.608140904 -0.000000004 1: GGA revPBE 0 4 Ex -0.021202935 0.114090924 0.135293859 2 1: GGA LYP 0 1 Ex -0.677018867 -0.545730797 0.131288070 2 1: GGA LYP 0 1 Ec -0.168947349 -0.321371106 0.152423757 2 @@ -6914,7 +6995,6 @@ 1: GGA PW86 0 2 Ex -0.714339523 -0.742445322 0.028105799 2 1: GGA PW86 0 3 Ex -0.011830132 -0.018574437 0.006744305 2 1: GGA PW86 0 4 Ex -0.003340939 0.192719039 0.196059978 2 -7: 2 3.400 0.007484177 -0.575559240 -0.575559242 0.000000002 1: GGA B88 0 1 Ex -0.676810147 -0.545530400 0.131279747 2 1: GGA B88 0 2 Ex -0.575866188 -0.707145950 0.131279762 2 1: GGA B88 0 3 Ex 0.029173450 0.172670325 0.143496875 2 @@ -6960,7 +7040,6 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.152938819 -0.164530189 0.011591370 2 1: GGA PBEJsJrLO 0 2 Ex -0.157376692 -0.145785342 0.011591350 2 1: GGA PBEJsJrLO 0 3 Ex 0.006388267 0.008337545 0.001949277 2 -7: 2 3.600 0.006282640 -0.542620903 -0.542620902 -0.000000001 1: GGA PBEJsJrLO 0 4 Ex -0.001372721 -0.011038148 0.009665427 2 1: GGA PBEJsJrHEG 0 1 Ex -0.133230141 -0.138790587 0.005560446 2 1: GGA PBEJsJrHEG 0 2 Ex -0.136553734 -0.130993306 0.005560428 2 @@ -7009,7 +7088,6 @@ 1: 3 -0.191990390 3.102076598 2.156235897 3.439050920 1: 4 -0.253986047 -4.065622276 6.010974946 1.471282794 1: GGA PW91 0 1 Ex -0.920014334 -1.359377701 0.439363367 2 -7: 2 3.800 0.005221523 -0.509578436 -0.509578436 -0.000000000 1: GGA PW91 0 2 Ex -1.091690484 -0.652327123 0.439363361 2 1: GGA PW91 0 3 Ex 0.094002759 0.158451861 0.064449102 2 1: GGA PW91 0 4 Ex 0.124357209 0.378911900 0.254554690 2 @@ -7059,7 +7137,6 @@ 1: GGA PBESOL 0 4 Ex 0.152250258 0.323598715 0.171348457 2 1: GGA AM05 0 1 Ex -0.804695644 -1.028692632 0.223996989 2 1: GGA AM05 0 1 Ec -0.095437754 -0.080092598 0.015345156 2 -7: 2 4.000 0.004296443 -0.476699712 -0.476699711 -0.000000002 1: GGA AM05 0 2 Ex -1.079390270 -0.855393282 0.223996988 2 1: GGA AM05 0 2 Ec -0.073676622 -0.089021778 0.015345156 2 1: GGA AM05 0 3 Ex 0.150411416 0.232278056 0.081866640 2 @@ -7108,7 +7185,6 @@ 1: GGA LYP 0 1 Ec -0.261034559 -0.221789527 0.039245032 2 1: GGA LYP 0 2 Ex -1.032778987 -1.239266415 0.206487427 2 1: GGA LYP 0 2 Ec -0.118116812 -0.157361845 0.039245032 2 -7: 2 4.200 0.003500077 -0.444266875 -0.444266874 -0.000000002 1: GGA LYP 0 3 Ex -0.060868765 0.413471649 0.474340413 2 1: GGA LYP 0 3 Ec 0.134530043 0.126910441 0.007619602 2 1: GGA LYP 0 4 Ex 0.035256998 0.664816614 0.629559616 2 @@ -7153,7 +7229,6 @@ 1: GGA B88 0 2 Ex -1.032024816 -1.238412626 0.206387810 2 1: GGA B88 0 3 Ex -0.060803475 0.413334368 0.474137843 2 1: GGA B88 0 4 Ex 0.035219180 0.664520371 0.629301190 2 -7: 2 4.400 0.002822947 -0.412572354 -0.412572354 0.000000000 1: GGA C09 0 1 Ex -0.971081783 -0.879751583 0.091330200 2 1: GGA C09 0 2 Ex -1.049186995 -1.140517194 0.091330199 2 1: GGA C09 0 3 Ex -0.073521293 0.208871473 0.282392766 2 @@ -7199,7 +7274,6 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.169034159 -0.166952594 0.002081565 2 1: GGA PBEJsJrHEG 0 2 Ex -0.222765055 -0.224846616 0.002081561 2 1: GGA PBEJsJrHEG 0 3 Ex -0.001201756 0.010507730 0.011709486 2 -7: 2 4.600 0.002254159 -0.381911080 -0.381911079 -0.000000000 1: GGA PBEJsJrHEG 0 4 Ex -0.006203170 0.000543422 0.006746592 2 1: GGA PBEGcGxLO 0 1 Ex -0.192532226 -0.187524242 0.005007984 2 1: GGA PBEGcGxLO 0 2 Ex -0.242098123 -0.247106102 0.005007979 2 @@ -7219,7 +7293,6 @@ 1: GGA AM05 0 2 Ec -0.022228951 -0.022209637 0.000019314 2 1: GGA AM05 0 3 Ex -0.000313096 0.229797399 0.230110495 2 1: GGA AM05 0 3 Ec 0.000356328 0.000251808 0.000104520 2 -7: 2 4.800 0.001782061 -0.352568553 -0.352568554 0.000000001 1: GGA AM05 0 4 Ex -0.001616123 0.268171250 0.269787373 2 1: GGA AM05 0 4 Ec 0.001839278 0.001775881 0.000063398 2 1: GGA PW86 0 1 Ex -0.190133737 -0.152592669 0.037541067 2 @@ -7267,7 +7340,6 @@ 1: GGA LYP 0 3 Ex -0.007299538 0.481064842 0.488364379 2 1: GGA LYP 0 3 Ec 0.088590876 0.030671996 0.057918880 2 1: GGA LYP 0 4 Ex -0.001094090 0.804246497 0.805340587 2 -7: 2 5.000 0.001394815 -0.324805491 -0.324805492 0.000000001 1: GGA LYP 0 4 Ec 0.013278433 0.041354653 0.028076220 2 1: GGA WC 0 1 Ex -0.757948162 -0.218942107 0.539006056 2 1: GGA WC 0 2 Ex -0.652603737 -1.191609802 0.539006066 2 @@ -7308,7 +7380,6 @@ 1: GGA B88 0 1 Ex -0.557210103 0.458732608 1.015942711 2 1: GGA B88 0 2 Ex -0.565949653 -1.581892377 1.015942724 2 1: GGA B88 0 3 Ex -0.007289818 0.481010538 0.488300356 2 -7: 2 5.200 0.001080853 -0.298841517 -0.298841517 -0.000000000 1: GGA B88 0 4 Ex -0.001092634 0.804136994 0.805229627 2 1: GGA C09 0 1 Ex -0.597250043 0.287558921 0.884808963 2 1: GGA C09 0 2 Ex -0.521153899 -1.405962874 0.884808975 2 @@ -7358,7 +7429,6 @@ 1: GGA PBEJsJrLO 0 4 Ex 0.052958546 0.088839018 0.035880472 2 1: GGA PBEJsJrHEG 0 1 Ex -0.890574739 -0.869013158 0.021561580 2 1: GGA PBEJsJrHEG 0 2 Ex -0.894960250 -0.916521821 0.021561572 2 -7: 2 5.400 0.000829225 -0.274842954 -0.274842954 -0.000000000 1: GGA PBEJsJrHEG 0 3 Ex -0.004317671 -0.045511997 0.041194327 2 1: GGA PBEJsJrHEG 0 4 Ex -0.007262719 0.023737091 0.030999810 2 1: GGA PBEGcGxLO 0 1 Ex -0.961204656 -0.939962148 0.021242508 2 @@ -7399,7 +7469,6 @@ 1: GGA BH 0 4 Ex 0.042365223 0.089185179 0.046819956 2 1: 1: iSpin dens gradDens -7: 2 5.600 0.000629844 -0.252923338 -0.252923338 -0.000000000 1: 1 0.192069388 -0.514742816 -0.411513387 0.632467768 1: 2 0.224369444 1.493790096 0.015325904 -1.891682869 1: 3 -0.064366750 -0.948198059 1.733669529 1.987489779 @@ -7446,7 +7515,6 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.013369092 0.082739165 0.069370073 2 1: GGA PBEGcGxHEG 0 1 Ex -0.789382365 -0.718130574 0.071251791 2 1: GGA PBEGcGxHEG 0 2 Ex -0.801525664 -0.872777453 0.071251789 2 -7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000001 1: GGA PBEGcGxHEG 0 3 Ex 0.024198864 0.105773201 0.081574336 2 1: GGA PBEGcGxHEG 0 4 Ex -0.047397055 0.003378726 0.050775781 2 1: GGA PBESOL 0 1 Ex -0.817613751 -0.720340096 0.097273654 2 @@ -7495,7 +7563,6 @@ 1: GGA PBE 0 2 Ex -1.555955003 -1.635302425 0.079347422 2 1: GGA PBE 0 3 Ex 0.276171817 0.266588449 0.009583368 2 1: GGA PBE 0 4 Ex -0.216338814 -0.229568007 0.013229193 2 -7: 2 6.000 0.000352629 -0.215702309 -0.215702309 0.000000000 1: GGA RPBE 0 1 Ex -1.571111203 -1.489869739 0.081241464 2 1: GGA RPBE 0 2 Ex -1.565874783 -1.647116248 0.081241465 2 1: GGA RPBE 0 3 Ex 0.266449096 0.256089058 0.010360039 2 @@ -7542,7 +7609,6 @@ 1: GGA AM05 0 2 Ec -0.140370177 -0.136336444 0.004033733 2 1: GGA AM05 0 3 Ex 0.448436040 0.493979189 0.045543149 2 1: GGA AM05 0 3 Ec -0.067940905 -0.067427827 0.000513078 2 -7: 2 6.200 0.000259921 -0.200780146 -0.200780147 0.000000001 1: GGA AM05 0 4 Ex -0.351281757 -0.294186990 0.057094767 2 1: GGA AM05 0 4 Ec 0.053221415 0.053926994 0.000705579 2 1: GGA PW86 0 1 Ex -1.541164740 -1.414077265 0.127087476 2 @@ -7593,7 +7659,6 @@ 1: GGA LYP 0 4 Ec 0.232595809 0.237048466 0.004452657 2 1: GGA WC 0 1 Ex -0.561091428 -0.551373767 0.009717661 2 1: GGA WC 0 2 Ex -0.565143066 -0.574860736 0.009717670 2 -7: 2 6.400 0.000189678 -0.188871729 -0.188871731 0.000000002 1: GGA WC 0 3 Ex 0.003534399 0.092779345 0.089244946 2 1: GGA WC 0 4 Ex 0.063168754 0.057863711 0.005305043 2 1: GGA PBEJsJrLO 0 1 Ex -0.571421259 -0.563087942 0.008333318 2 @@ -7606,7 +7671,6 @@ 1: GGA PBEJsJrHEG 0 4 Ex -0.005518330 -0.008824500 0.003306170 2 1: GGA PBEGcGxLO 0 1 Ex -0.561313320 -0.553585818 0.007727503 2 1: GGA PBEGcGxLO 0 2 Ex -0.564618918 -0.572346430 0.007727512 2 -4/9 Test #5: libgridxc_test6 .................. Passed 0.10 sec 1: GGA PBEGcGxLO 0 3 Ex 0.002883599 0.081318783 0.078435184 2 1: GGA PBEGcGxLO 0 4 Ex 0.051537297 0.046900903 0.004636394 2 1: GGA PBEGcGxHEG 0 1 Ex -0.543739564 -0.537782236 0.005957329 2 @@ -7639,7 +7703,6 @@ 1: GGA C09 0 4 Ex 0.153763764 0.146882453 0.006881311 2 1: GGA BH 0 1 Ex -0.478033466 -0.476802518 0.001230948 2 1: GGA BH 0 2 Ex -0.484692591 -0.485923548 0.001230957 2 -7: 2 6.600 0.000137039 -0.180551188 -0.180551191 0.000000003 1: GGA BH 0 3 Ex 0.005809007 0.198044616 0.192235609 2 1: GGA BH 0 4 Ex 0.103821839 0.093026463 0.010795376 2 1: @@ -7686,7 +7749,6 @@ 1: GGA PBEJsJrHEG 0 4 Ex 0.003457082 0.013603975 0.010146893 2 1: GGA PBEGcGxLO 0 1 Ex -0.840778945 -0.889758086 0.048979141 2 1: GGA PBEGcGxLO 0 2 Ex -0.765485994 -0.716506884 0.048979109 2 -7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 1: GGA PBEGcGxLO 0 3 Ex -0.014857423 0.105007967 0.119865389 2 1: GGA PBEGcGxLO 0 4 Ex 0.017998208 0.014497865 0.003500344 2 1: GGA PBEGcGxHEG 0 1 Ex -0.821408346 -0.854071884 0.032663538 2 @@ -7732,7 +7794,6 @@ 1: GGA PW91 0 3 Ex -0.251581170 -0.215808868 0.035772302 2 1: GGA PW91 0 4 Ex -0.006004419 -0.041629748 0.035625329 2 1: GGA PBE 0 1 Ex -0.925102872 -0.816971068 0.108131804 2 -7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000016 1: GGA PBE 0 2 Ex -0.942065110 -1.050196926 0.108131816 2 1: GGA PBE 0 3 Ex -0.022180561 0.018620793 0.040801354 2 1: GGA PBE 0 4 Ex -0.000529377 0.022293855 0.022823232 2 @@ -7775,7 +7836,6 @@ 1: GGA PBESOL 0 1 Ex -0.916989280 -0.845692589 0.071296691 2 1: GGA PBESOL 0 2 Ex -0.897408251 -0.968704954 0.071296703 2 1: GGA PBESOL 0 3 Ex 0.025605006 0.052356779 0.026751773 2 -7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 1: GGA PBESOL 0 4 Ex 0.000611108 0.021969570 0.021358463 2 1: GGA AM05 0 1 Ex -0.817002719 -0.774664709 0.042338011 2 1: GGA AM05 0 1 Ec -0.068271117 -0.071719978 0.003448861 2 @@ -7822,7 +7882,6 @@ 1: GGA revPBE 0 1 Ex -1.193757876 -1.277640137 0.083882261 2 1: GGA revPBE 0 2 Ex -1.175093968 -1.091211693 0.083882275 2 1: GGA revPBE 0 3 Ex -0.001371771 0.130216703 0.131588474 2 -7: 2 7.400 0.000033779 -0.163293898 -0.163293895 -0.000000004 1: GGA revPBE 0 4 Ex 0.051717180 0.040071605 0.011645576 2 1: GGA LYP 0 1 Ex -1.032433998 -1.103025668 0.070591670 2 1: GGA LYP 0 1 Ec 0.003845655 -0.019969190 0.023814845 2 @@ -7867,7 +7926,6 @@ 1: GGA PW86 0 1 Ex -1.246623097 -1.304164167 0.057541070 2 1: GGA PW86 0 2 Ex -1.268154072 -1.210612987 0.057541084 2 1: GGA PW86 0 3 Ex 0.001582496 0.094571071 0.092988574 2 -7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 1: GGA PW86 0 4 Ex -0.059661743 -0.067578102 0.007916359 2 1: GGA B88 0 1 Ex -1.031509566 -1.102056413 0.070546848 2 1: GGA B88 0 2 Ex -1.075875340 -1.005328478 0.070546862 2 @@ -7917,7 +7975,6 @@ 1: GGA WC 0 4 Ex -0.088034014 -0.089688149 0.001654135 2 1: GGA PBEJsJrLO 0 1 Ex -0.827647515 -0.827829578 0.000182064 2 1: GGA PBEJsJrLO 0 2 Ex -0.813846207 -0.813664159 0.000182049 2 -7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 1: GGA PBEJsJrLO 0 3 Ex -0.027767759 -0.030531956 0.002764197 2 1: GGA PBEJsJrLO 0 4 Ex -0.053683150 -0.052229969 0.001453181 2 1: GGA PBEJsJrHEG 0 1 Ex -0.826469000 -0.828541452 0.002072452 2 @@ -7958,7 +8015,6 @@ 1: GGA C09 0 4 Ex -0.096453938 -0.078786484 0.017667455 2 1: GGA BH 0 1 Ex -0.706203724 -0.700916784 0.005286940 2 1: GGA BH 0 2 Ex -0.673717664 -0.679004620 0.005286956 2 -7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 1: GGA BH 0 3 Ex -0.065360842 -0.082339420 0.016978579 2 1: GGA BH 0 4 Ex -0.126361508 -0.118258906 0.008102602 2 1: @@ -7982,7 +8038,6 @@ 1: GGA revPBE 0 1 Ex -0.572772910 -0.381829379 0.190943531 2 1: GGA revPBE 0 2 Ex -0.527763379 -0.718706903 0.190943524 2 1: GGA revPBE 0 3 Ex -0.086720470 -0.442063073 0.355342604 2 -7: 2 8.200 0.000007092 -0.090658025 -0.090657832 -0.000000193 1: GGA revPBE 0 4 Ex 0.113137934 -0.121251543 0.234389477 2 1: GGA LYP 0 1 Ex -0.413850877 -0.186619022 0.227231855 2 1: GGA LYP 0 1 Ec -0.571947400 -0.535484703 0.036462698 2 @@ -8024,7 +8079,6 @@ 1: GGA AM05 0 3 Ec -0.007259751 -0.004666259 0.002593492 2 1: GGA AM05 0 4 Ex -0.013320699 -0.237218710 0.223898011 2 1: GGA AM05 0 4 Ec 0.009471273 0.011179365 0.001708092 2 -7: 2 8.400 0.000004681 -0.075347142 -0.075346958 -0.000000184 1: GGA PW86 0 1 Ex -0.503007122 -0.363815804 0.139191318 2 1: GGA PW86 0 2 Ex -0.495205262 -0.634396572 0.139191310 2 1: GGA PW86 0 3 Ex -0.015031949 -0.308560777 0.293528828 2 @@ -8075,7 +8129,6 @@ 1: GGA WC 0 2 Ex -0.297458540 -0.307495854 0.010037314 2 1: GGA WC 0 3 Ex -0.005460216 -0.024938761 0.019478545 2 1: GGA WC 0 4 Ex -0.011351006 0.004528315 0.015879321 2 -7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000078 1: GGA PBEJsJrLO 0 1 Ex -0.280040240 -0.266525091 0.013515149 2 1: GGA PBEJsJrLO 0 2 Ex -0.289486986 -0.303002121 0.013515134 2 1: GGA PBEJsJrLO 0 3 Ex -0.003503454 -0.029689567 0.026186113 2 @@ -8116,7 +8169,6 @@ 1: GGA C09 0 2 Ex -0.359723290 -0.378625344 0.018902054 2 1: GGA C09 0 3 Ex -0.002681653 -0.039131063 0.036449410 2 1: GGA C09 0 4 Ex -0.005574772 0.024217166 0.029791938 2 -7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA BH 0 1 Ex -0.280792873 -0.254811697 0.025981177 2 1: GGA BH 0 2 Ex -0.273244681 -0.299225830 0.025981149 2 1: GGA BH 0 3 Ex 0.002799349 -0.053747981 0.056547330 2 @@ -8163,7 +8215,6 @@ 1: GGA PBEJsJrHEG 0 2 Ex -1.375255097 -1.575163609 0.199908512 2 1: GGA PBEJsJrHEG 0 3 Ex -0.062373162 -0.229669205 0.167296044 2 1: GGA PBEJsJrHEG 0 4 Ex 0.000666337 0.264355484 0.263689146 2 -7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: GGA PBEGcGxLO 0 1 Ex -1.455500769 -1.224847186 0.230653582 2 1: GGA PBEGcGxLO 0 2 Ex -1.272195349 -1.502848938 0.230653589 2 1: GGA PBEGcGxLO 0 3 Ex -0.107705781 -0.300978615 0.193272834 2 @@ -8209,7 +8260,6 @@ 1: GGA PW91 0 1 Ex -1.509999640 -1.582874861 0.072875221 2 1: GGA PW91 0 2 Ex -1.825120564 -1.752245350 0.072875214 2 1: GGA PW91 0 3 Ex 0.084681439 0.254374700 0.169693261 2 -7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA PW91 0 4 Ex 0.392421098 0.385062637 0.007358461 2 1: GGA PBE 0 1 Ex -1.268408903 -1.279703622 0.011294718 2 1: GGA PBE 0 2 Ex -1.326775636 -1.315480926 0.011294711 2 @@ -8253,7 +8303,6 @@ 1: GGA PBEGcGxHEG 0 4 Ex -0.031429133 -0.080933137 0.049504003 2 1: GGA PBESOL 0 1 Ex -1.253287503 -1.253862893 0.000575389 2 1: GGA PBESOL 0 2 Ex -1.259627333 -1.259051951 0.000575381 2 -7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 1: GGA PBESOL 0 3 Ex 0.001703682 0.284676727 0.282973045 2 1: GGA PBESOL 0 4 Ex 0.007895010 -0.052937361 0.060832371 2 1: GGA AM05 0 1 Ex -1.106245197 -1.057286333 0.048958864 2 @@ -8301,7 +8350,6 @@ 1: GGA revPBE 0 1 Ex -0.770137606 -1.178665928 0.408528322 2 1: GGA revPBE 0 2 Ex -0.722082580 -0.313554240 0.408528340 2 1: GGA revPBE 0 3 Ex -0.030302742 0.567424850 0.597727592 2 -7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002250 1: GGA revPBE 0 4 Ex -0.044392604 -0.231290040 0.186897436 2 1: GGA LYP 0 1 Ex -0.759807475 -1.156543590 0.396736115 2 1: GGA LYP 0 1 Ec -0.085663716 -0.135824717 0.050161002 2 @@ -8346,7 +8394,6 @@ 1: GGA PW86 0 1 Ex -0.896459694 -1.158585706 0.262126012 2 1: GGA PW86 0 2 Ex -0.844536912 -0.582410882 0.262126029 2 1: GGA PW86 0 3 Ex -0.032741688 0.363717421 0.396459109 2 -7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: GGA PW86 0 4 Ex -0.047965586 -0.176715869 0.128750283 2 1: GGA B88 0 1 Ex -0.759445852 -1.156070181 0.396624329 2 1: GGA B88 0 2 Ex -0.726399443 -0.329775097 0.396624346 2 @@ -8396,7 +8443,6 @@ 1: GGA WC 0 4 Ex -0.011247771 -0.032610554 0.021362783 2 1: GGA PBEJsJrLO 0 1 Ex -0.228089982 -0.098281620 0.129808362 2 1: GGA PBEJsJrLO 0 2 Ex -0.213044405 -0.342852749 0.129808344 2 -7: 2 10.000 0.000000117 -0.029088011 -0.029090107 0.000002095 1: GGA PBEJsJrLO 0 3 Ex -0.007503874 -0.086157108 0.078653234 2 1: GGA PBEJsJrLO 0 4 Ex -0.014089786 -0.041507696 0.027417911 2 1: GGA PBEJsJrHEG 0 1 Ex -0.200352441 -0.134879481 0.065472960 2 @@ -8435,7 +8481,6 @@ 1: GGA C09 0 2 Ex -0.266990404 -0.420208135 0.153217731 2 1: GGA C09 0 3 Ex -0.009947517 -0.108529743 0.098582226 2 1: GGA C09 0 4 Ex -0.018678136 -0.047980969 0.029302833 2 -7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA BH 0 1 Ex -0.240328409 0.463985429 0.704313838 2 1: GGA BH 0 2 Ex -0.207705860 -0.912019669 0.704313809 2 1: GGA BH 0 3 Ex -0.016270264 -0.097550223 0.081279959 2 @@ -8481,7 +8526,6 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.155374231 -0.147099385 0.008274846 2 1: GGA PBEJsJrHEG 0 2 Ex -0.114570182 -0.122844992 0.008274809 2 1: GGA PBEJsJrHEG 0 3 Ex -0.030953805 -0.009698321 0.021255484 2 -7: 2 10.400 0.000000042 -0.024899792 -0.024901678 0.000001885 1: GGA PBEJsJrHEG 0 4 Ex 0.055926284 0.070709341 0.014783057 2 1: GGA PBEGcGxLO 0 1 Ex -0.150089419 -0.135244358 0.014845061 2 1: GGA PBEGcGxLO 0 2 Ex -0.116889109 -0.131734131 0.014845022 2 @@ -8526,7 +8570,6 @@ 1: 3 -0.000656489 1.430933740 0.793857205 1.565771840 1: 4 -0.000244748 0.657061579 1.338429925 0.310446793 1: GGA PW91 0 1 Ex -0.934949216 5.500222566 6.435171782 2 -7: 2 10.600 0.000000025 -0.023159554 -0.023161334 0.000001780 1: GGA PW91 0 2 Ex -0.715826439 -7.150998226 6.435171787 2 1: GGA PW91 0 3 Ex 0.058789704 11.567356344 11.508566640 2 1: GGA PW91 0 4 Ex 0.021917651 1.320465941 1.298548290 2 @@ -8568,7 +8611,6 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.010461659 3.006835550 2.996373892 2 1: GGA PBEGcGxHEG 0 1 Ex -0.792467951 4.130967201 4.923435152 2 1: GGA PBEGcGxHEG 0 2 Ex -0.701067214 -5.624502369 4.923435155 2 -7: 2 10.800 0.000000015 -0.021608555 -0.021610222 0.000001667 1: GGA PBEGcGxHEG 0 3 Ex 0.024522427 8.562889623 8.538367196 2 1: GGA PBEGcGxHEG 0 4 Ex 0.009142315 1.717824962 1.708682647 2 1: GGA PBESOL 0 1 Ex -0.764211204 6.855777735 7.619988939 2 @@ -8612,7 +8654,6 @@ 1: GGA PBE 0 1 Ex -1.239762139 -1.277628846 0.037866708 2 1: GGA PBE 0 2 Ex -1.324929483 -1.287062781 0.037866702 2 1: GGA PBE 0 3 Ex -0.027960355 -0.090532406 0.062572050 2 -7: 2 11.000 0.000000008 -0.020221667 -0.020223261 0.000001594 1: GGA PBE 0 4 Ex -0.003141427 0.040479729 0.043621157 2 1: GGA RPBE 0 1 Ex -1.237498869 -1.271743380 0.034244511 2 1: GGA RPBE 0 2 Ex -1.508760593 -1.474516088 0.034244505 2 @@ -8654,7 +8695,6 @@ 1: GGA PBESOL 0 2 Ex -1.222216199 -1.191713887 0.030502311 2 1: GGA PBESOL 0 3 Ex 0.012342614 -0.037500269 0.049842883 2 1: GGA PBESOL 0 4 Ex 0.001386729 0.031539732 0.030153004 2 -7: 2 11.200 0.000000005 -0.018978407 -0.018979867 0.000001459 1: GGA AM05 0 1 Ex -1.246024563 -1.300253436 0.054228873 2 1: GGA AM05 0 1 Ec -0.064979526 -0.063870983 0.001108543 2 1: GGA AM05 0 2 Ex -0.785608917 -0.731380044 0.054228873 2 @@ -8699,7 +8739,6 @@ 1: GGA RPBE 0 4 Ex -0.047216504 -0.154734220 0.107517716 2 1: GGA revPBE 0 1 Ex -1.235272192 -1.142454775 0.092817417 2 1: GGA revPBE 0 2 Ex -1.185747587 -1.278565010 0.092817423 2 -7: 2 11.400 0.000000003 -0.017861495 -0.017862934 0.000001439 1: GGA revPBE 0 3 Ex 0.128608142 0.103107292 0.025500851 2 1: GGA revPBE 0 4 Ex -0.053215652 -0.158034259 0.104818607 2 1: GGA LYP 0 1 Ex -1.281836721 -1.201334888 0.080501834 2 @@ -8746,10 +8785,8 @@ 1: GGA PW86 0 2 Ex -1.368822007 -1.435454652 0.066632645 2 1: GGA PW86 0 3 Ex 0.126040335 0.110447441 0.015592894 2 1: GGA PW86 0 4 Ex -0.052153142 -0.120842541 0.068689399 2 -7: 2 11.600 0.000000002 -0.016855994 -0.016857351 0.000001357 1: GGA B88 0 1 Ex -1.280131096 -1.199691040 0.080440057 2 1: GGA B88 0 2 Ex -1.219739699 -1.300179761 0.080440062 2 -7: avgDiffVxc, maxDiffVxc = 0.000000679 0.000002261 1: GGA B88 0 3 Ex 0.156827611 0.132898169 0.023929441 2 1: GGA B88 0 4 Ex -0.064892342 -0.160153837 0.095261494 2 1: GGA C09 0 1 Ex -1.222939817 -1.159809120 0.063130696 2 @@ -8794,7 +8831,6 @@ 1: GGA WC 0 2 Ex -0.467983777 -0.373512165 0.094471611 2 1: GGA WC 0 3 Ex 0.001700883 -0.035639754 0.037340637 2 1: GGA WC 0 4 Ex 0.003034085 -0.042458267 0.045492352 2 -5/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.11 sec 1: GGA PBEJsJrLO 0 1 Ex -0.453032289 -0.573186081 0.120153792 2 1: GGA PBEJsJrLO 0 2 Ex -0.453173275 -0.333019490 0.120153785 2 1: GGA PBEJsJrLO 0 3 Ex -0.000056203 -0.047517902 0.047461699 2 @@ -9471,54 +9507,54 @@ 2: 1 0.000 0.047620227 -0.999477920 2: 1 0.200 0.047382720 -0.999360161 -1.000195075 0.000834914 2: 1 0.400 0.046677283 -0.999006885 -0.998709465 -0.000297420 -3: Ex, Ec = -3.716289981 -0.771674483 -3: Dx, Dc = 1.192543612 0.121155159 2: 1 0.600 0.045524817 -0.987412253 -0.987508070 0.000095817 2: 1 0.800 0.043959010 -0.980158453 -0.980143429 -0.000015024 2: 1 1.000 0.042024703 -0.963929151 -0.963927487 -0.000001665 2: 1 1.200 0.039775757 -0.949006509 -0.949005807 -0.000000702 +3: Ex, Ec = -3.716289981 -0.771674483 +3: Dx, Dc = 1.192543612 0.121155159 2: 1 1.400 0.037272568 -0.929353368 -0.929356345 0.000002977 -3: i1 i2 i3 iSpin Vxc dExc/dDens diff -3: 2 8 13 2 -0.313847006 -0.313846990 -0.000000016 2: 1 1.600 0.034579382 -0.908100586 -0.908099058 -0.000001528 2: 1 1.800 0.031761587 -0.884442948 -0.884442168 -0.000000780 2: 1 2.000 0.028883127 -0.858808538 -0.858809374 0.000000836 2: 1 2.200 0.026004187 -0.831341143 -0.831341121 -0.000000022 2: 1 2.400 0.023179251 -0.802320622 -0.802320401 -0.000000220 +3: i1 i2 i3 iSpin Vxc dExc/dDens diff +3: 2 8 13 2 -0.313847006 -0.313846990 -0.000000016 2: 1 2.600 0.020455616 -0.772056571 -0.772056927 0.000000356 -3: 4 2 23 2 -0.524218962 -0.524218947 -0.000000014 2: 1 2.800 0.017872394 -0.740675199 -0.740674872 -0.000000327 2: 1 3.000 0.015460016 -0.708430779 -0.708429556 -0.000001223 2: 1 3.200 0.013240188 -0.675669578 -0.675674007 0.000004429 2: 1 3.400 0.011226266 -0.642459702 -0.642454691 -0.000005011 2: 1 3.600 0.009423960 -0.609091304 -0.609092447 0.000001143 +3: 4 2 23 2 -0.524218962 -0.524218947 -0.000000014 2: 1 3.800 0.007832284 -0.575839731 -0.575841528 0.000001797 -3: 5 6 2 1 -0.626312320 -0.626312328 0.000000008 2: 1 4.000 0.006444664 -0.542697531 -0.542696460 -0.000001071 2: 1 4.200 0.005250115 -0.510078329 -0.510077514 -0.000000815 2: 1 4.400 0.004234421 -0.478003232 -0.478007539 0.000004307 2: 1 4.600 0.003381238 -0.446577649 -0.446566566 -0.000011082 2: 1 4.800 0.002673091 -0.416186718 -0.416202731 0.000016013 -3: 4 2 9 2 -0.561691010 -0.561691008 -0.000000002 +3: 5 6 2 1 -0.626312320 -0.626312328 0.000000008 2: 1 5.000 0.002092223 -0.386734472 -0.386724841 -0.000009631 2: 1 5.200 0.001621280 -0.359258071 -0.359253814 -0.000004258 2: 1 5.400 0.001243837 -0.329009264 -0.329019032 0.000009768 2: 1 5.600 0.000944766 -0.268263860 -0.268258610 -0.000005250 2: 1 5.800 0.000710460 -0.184072378 -0.184073422 0.000001044 +3: 4 2 9 2 -0.561691010 -0.561691008 -0.000000002 2: 1 6.000 0.000528944 -0.147193854 -0.147194458 0.000000604 -3: 7 3 21 1 -0.491741169 -0.491741176 0.000000007 2: 1 6.200 0.000389881 -0.169127143 -0.169125286 -0.000001857 2: 1 6.400 0.000284517 -0.195915387 -0.195917508 0.000002121 2: 1 6.600 0.000205559 -0.203472102 -0.203471426 -0.000000677 2: 1 6.800 0.000147033 -0.198598658 -0.198597592 -0.000001066 2: 1 7.000 0.000104122 -0.189565923 -0.189567430 0.000001507 +3: 7 3 21 1 -0.491741169 -0.491741176 0.000000007 2: 1 7.200 0.000072999 -0.181016372 -0.181015280 -0.000001093 -3: 1 2 0 2 -0.680189858 -0.680189871 0.000000013 2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000748 2: 1 7.600 0.000034818 -0.165710223 -0.165709116 -0.000001106 2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001311 2: 1 8.000 0.000015954 -0.142174017 -0.142175066 0.000001050 2: 1 8.200 0.000010638 -0.126477393 -0.126473509 -0.000003883 +3: 1 2 0 2 -0.680189858 -0.680189871 0.000000013 2: 1 8.400 0.000007022 -0.110553043 -0.110555103 0.000002060 2: 1 8.600 0.000004589 -0.096226748 -0.096227608 0.000000861 2: 1 8.800 0.000002969 -0.084195519 -0.084194595 -0.000000924 @@ -9598,7 +9634,7 @@ 2: 2 11.400 0.000000003 -0.018968230 -0.018969149 0.000000919 2: 2 11.600 0.000000002 -0.016816386 -0.016817204 0.000000819 2: avgDiffVxc, maxDiffVxc = 0.000088774 0.000835114 -7/9 Test #2: libgridxc_test2 .................. Passed 5.50 sec +7/9 Test #2: libgridxc_test2 .................. Passed 5.44 sec 4: 4: funcs= VDW 4: auths= BH @@ -9609,7 +9645,7 @@ 4: atomDx, cellDx, diff = 1.349799036 1.349797201 0.000001835 4: atomDc, cellDc, diff = 0.155982425 0.155866069 0.000116356 4: avgDiffVxc, maxDiffVxc = 0.000006163 0.038047291 -8/9 Test #4: libgridxc_test4 .................. Passed 5.89 sec +8/9 Test #4: libgridxc_test4 .................. Passed 5.84 sec 3: xc stress * volume = 3: -4.405894836 -0.011039400 0.003122993 3: -0.011039400 -4.442866097 0.004079677 @@ -9622,11 +9658,11 @@ 3: 0.000022309 -0.000006705 0.000059142 3: -0.000006705 0.000002015 -0.000017774 3: 0.000059142 -0.000017774 0.000156789 -9/9 Test #3: libgridxc_test3 .................. Passed 7.37 sec +9/9 Test #3: libgridxc_test3 .................. Passed 7.43 sec 100% tests passed, 0 tests failed out of 9 -Total Test time (real) = 7.38 sec +Total Test time (real) = 7.43 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary @@ -9651,54 +9687,53 @@ [ 64%] Built target libgridxc-lib make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/depend make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build +[ 68%] Built target libgridxc-test1 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build +make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. +make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. @@ -9707,29 +9742,30 @@ make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test6.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test6.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build +[ 72%] Built target libgridxc-test2 +make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_hse06.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' -[ 70%] Built target libgridxc-test4 -[ 76%] Built target libgridxc-test1 -[ 74%] Built target libgridxc-test3 -[ 80%] Built target libgridxc-test_match +[ 76%] Built target libgridxc-test3 +[ 80%] Built target libgridxc-test4 [ 84%] Built target libgridxc-test6 -[ 88%] Built target libgridxc-test_libxc2 -[ 92%] Built target libgridxc-test2 +[ 88%] Built target libgridxc-test_libxc +[ 92%] Built target libgridxc-test_libxc2 +[ 96%] Built target libgridxc-test_match [100%] Built target libgridxc-test_hse06 -[100%] Built target libgridxc-test_libxc make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall @@ -9763,23 +9799,23 @@ -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_mesh1d.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_chkgmx.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_minvec.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_xwpbe.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_fft_gpfa.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_xwpbe.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_gpfa_core_dp.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_gpfa_core_sp.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_lda.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_io.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_array.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_am05.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_interpolation.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_bessph.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_lda.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_interpolation.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_am05.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_sorting.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_cellsubs.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_alloc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_walltime.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_sys.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_config.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_precision.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_walltime.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_sys.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/share/licenses/libgridxc/COPYING make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-aarch64-linux-gnu' dh_installdocs -O--buildsystem=cmake @@ -9809,12 +9845,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/3002307/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/3002307/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/3225358 and its subdirectories -I: Current time: Wed Jun 18 07:35:19 -12 2025 -I: pbuilder-time-stamp: 1750275319 +I: removing directory /srv/workspace/pbuilder/3002307 and its subdirectories +I: Current time: Fri May 17 03:13:31 +14 2024 +I: pbuilder-time-stamp: 1715865211