Diff of the two buildlogs: -- --- b1/build.log 2025-07-18 02:10:52.630887957 +0000 +++ b2/build.log 2025-07-18 02:12:18.930995670 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Thu Jul 17 14:08:39 -12 2025 -I: pbuilder-time-stamp: 1752804519 +I: Current time: Thu Aug 20 22:33:55 +14 2026 +I: pbuilder-time-stamp: 1787214835 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -24,51 +24,83 @@ dpkg-source: info: applying fix_fortran_flags.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3133235/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/4134049/tmp/hooks/D01_modify_environment starting +debug: Running on infom02-amd64. +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 Aug 20 08:34 /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/4134049/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/4134049/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='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='amd64' + 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]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=16 ' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='2449e754da404ad899e507c3d10c71d8' - 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='3133235' - PS1='# ' - PS2='> ' + INVOCATION_ID=97fcfd4f08f24eacbf9e1135c3b10f7e + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-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=4134049 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.byf0zzcs/pbuilderrc_ZtM1 --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.byf0zzcs/b1 --logfile b1/build.log libgridxc_2.1.0-2.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' + 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.byf0zzcs/pbuilderrc_M0TT --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.byf0zzcs/b2 --logfile b2/build.log libgridxc_2.1.0-2.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' I: uname -a - Linux infom01-amd64 6.1.0-37-cloud-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.140-1 (2025-05-22) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.12.32+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.32-1~bpo12+1 (2025-06-21) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 May 12 19:25 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3133235/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 May 12 2025 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/4134049/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -183,7 +215,7 @@ Get: 69 http://deb.debian.org/debian trixie/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB] Get: 70 http://deb.debian.org/debian trixie/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB] Get: 71 http://deb.debian.org/debian trixie/main amd64 pkg-config amd64 1.8.1-4 [14.0 kB] -Fetched 56.6 MB in 1s (46.3 MB/s) +Fetched 56.6 MB in 2s (23.3 MB/s) Preconfiguring packages ... Selecting previously unselected package libproc2-0:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19850 files and directories currently installed.) @@ -489,7 +521,11 @@ fakeroot is already the newest version (1.37.1.1-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/reproducible-path/libgridxc-2.1.0/ && 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_2.1.0-2_source.changes +I: user script /srv/workspace/pbuilder/4134049/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/4134049/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/libgridxc-2.1.0/ && 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_2.1.0-2_source.changes dpkg-buildpackage: info: source package libgridxc dpkg-buildpackage: info: source version 2.1.0-2 dpkg-buildpackage: info: source distribution unstable @@ -547,7 +583,7 @@ -- Using pkg-config to search for libxcf03 - found -- Searching for libXC library - found -- Configuring libgridxc tests... --- Configuring done (1.2s) +-- Configuring done (0.5s) -- Generating done (0.0s) CMake Warning: Manually-specified variables were not used by the project: @@ -560,7 +596,7 @@ -- Build files have been written to: /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0' dh_auto_build -O--buildsystem=cmake - cd obj-x86_64-linux-gnu && make -j12 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j16 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.1.0 -B/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -575,92 +611,92 @@ make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o +[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o [ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o -[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/precision.F90 -o CMakeFiles/libgridxc-lib.dir/src/precision.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o -[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/gridxc_config.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o +[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o +[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o [ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/gridxc_config.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/m_walltime.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_precision.mod CMakeFiles/libgridxc-lib.dir/gridxc_precision.mod.stamp GNU +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_config.mod CMakeFiles/libgridxc-lib.dir/gridxc_config.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/precision.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_walltime.mod CMakeFiles/libgridxc-lib.dir/gridxc_walltime.mod.stamp GNU -[ 11%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o -[ 13%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/xc_xwpbe.F90 -o CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o -[ 15%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sorting.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_sys.mod CMakeFiles/libgridxc-lib.dir/gridxc_sys.mod.stamp GNU +[ 11%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o +[ 13%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/cellsubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o +[ 15%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/xc_xwpbe.F90 -o CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/sorting.F90 -o CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/precision.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_sys.mod CMakeFiles/libgridxc-lib.dir/gridxc_sys.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_config.mod CMakeFiles/libgridxc-lib.dir/gridxc_config.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sys.F90.o.provides.build -[ 17%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/am05.F90.o -[ 19%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/array.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/am05.F90 -o CMakeFiles/libgridxc-lib.dir/src/am05.F90.o +[ 17%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o +[ 21%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/array.F90.o [ 21%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/array.F90 -o CMakeFiles/libgridxc-lib.dir/src/array.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/ldaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o -[ 23%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o +[ 23%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/am05.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/interpolation.F90 -o CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o -[ 25%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o.provides.build +[ 25%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/ldaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/am05.F90 -o CMakeFiles/libgridxc-lib.dir/src/am05.F90.o +[ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/array.F90 -o CMakeFiles/libgridxc-lib.dir/src/array.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/gridxc_fft_gpfa.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/bessph.F90 -o CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o -[ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o -[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o +[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/m_io.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/gridxc_fft_gpfa.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o /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 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 cmake_copy_f90_mod include/gridxc_io.mod CMakeFiles/libgridxc-lib.dir/gridxc_io.mod.stamp GNU +/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_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-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/minvec.F90 -o CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o -/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 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 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/am05.F90.o.provides.build -/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 +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_lda.mod CMakeFiles/libgridxc-lib.dir/gridxc_lda.mod.stamp GNU [ 33%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/chkgmx.F90 -o CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o +/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_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-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/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 /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o.provides.build -/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 -[ 37%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o -[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/moreParallelSubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_xwpbe.mod CMakeFiles/libgridxc-lib.dir/gridxc_xwpbe.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o.provides.build -[ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o +[ 37%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/xc_hybrids.F90 -o CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.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 +[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.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/moreParallelSubs.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/moreParallelSubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o +[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_moreparallelsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_moreparallelsubs.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o.provides.build -[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o +[ 45%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/debugxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/debugxc.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 cmake_copy_f90_mod include/gridxc_debugxc.mod CMakeFiles/libgridxc-lib.dir/gridxc_debugxc.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o.provides.build -[ 45%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o.provides.build -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gga.mod CMakeFiles/libgridxc-lib.dir/gridxc_gga.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_mesh3d.mod CMakeFiles/libgridxc-lib.dir/gridxc_mesh3d.mod.stamp GNU @@ -670,17 +706,17 @@ /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 -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o [ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o -/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 cmake_copy_f90_mod include/gridxc_fft3d.mod CMakeFiles/libgridxc-lib.dir/gridxc_fft3d.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 -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/vv_vdwxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o.provides.build -[ 52%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o +[ 50%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/fftr.F90 -o CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o +/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 +[ 52%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/vv_vdwxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fftr.mod CMakeFiles/libgridxc-lib.dir/gridxc_fftr.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_vv_vdwxc.mod CMakeFiles/libgridxc-lib.dir/gridxc_vv_vdwxc.mod.stamp GNU @@ -692,10 +728,10 @@ [ 56%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/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 -[ 58%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o.provides.build -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o +[ 60%] Building Fortran object 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-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/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 @@ -704,8 +740,8 @@ [ 62%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/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 -/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 -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o.provides.build /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" @@ -714,142 +750,142 @@ [ 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 -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend +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-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend +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-2.1.0/obj-x86_64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". +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-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.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-2.1.0/obj-x86_64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". -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-2.1.0/obj-x86_64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-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 -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". +Scanning dependencies of target libgridxc-test4 +Scanning dependencies of target libgridxc-test1 Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". +Scanning dependencies of target libgridxc-test_libxc Scanning dependencies of target libgridxc-test2 -Scanning dependencies of target libgridxc-test6 Scanning dependencies of target libgridxc-test_match -Scanning dependencies of target libgridxc-test4 -Scanning dependencies of target libgridxc-test3 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -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-2.1.0/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +Scanning dependencies of target libgridxc-test6 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -Scanning dependencies of target libgridxc-test1 Scanning dependencies of target libgridxc-test_libxc2 -Scanning dependencies of target libgridxc-test_libxc -Scanning dependencies of target libgridxc-test_hse06 +make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build +make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-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-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build +make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build -[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +Scanning dependencies of target libgridxc-test3 +Scanning dependencies of target libgridxc-test_hse06 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build -[ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o +[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o +[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o +[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o +[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o +[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o [ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o -[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o +[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o -[ 84%] Linking Fortran executable libgridxc-test_match -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1 -[ 86%] Linking Fortran executable libgridxc-test_hse06 +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o +[ 84%] Linking Fortran executable libgridxc-test_hse06 cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-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 -Wl,--dependency-file=CMakeFiles/libgridxc-test_match.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +[ 86%] Linking Fortran executable libgridxc-test_match +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1 [ 90%] Linking Fortran executable libgridxc-test_libxc2 -[ 90%] Linking Fortran executable libgridxc-test6 +[ 90%] Linking Fortran executable libgridxc-test_libxc cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1 +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 [ 92%] Linking Fortran executable libgridxc-test2 +/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_match.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 -[ 92%] Built target libgridxc-test_match -[ 94%] Linking Fortran executable libgridxc-test_libxc -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +[ 94%] Linking Fortran executable libgridxc-test6 +[ 94%] Built target libgridxc-test_match /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_hse06.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +[ 94%] Built target libgridxc-test_hse06 +/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so +/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so -[ 96%] Linking Fortran executable libgridxc-test4 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 -[ 98%] Linking Fortran executable libgridxc-test1 -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test6.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 98%] Built target libgridxc-test_hse06 -[ 98%] Built target libgridxc-test_libxc2 -[ 98%] Built target libgridxc-test6 -/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so +[ 96%] Linking Fortran executable libgridxc-test4 +[ 96%] Built target libgridxc-test_libxc2 +[ 96%] Built target libgridxc-test2 +[ 96%] Built target libgridxc-test_libxc +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 +/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test6.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 98%] Built target libgridxc-test_libxc +[ 96%] Built target libgridxc-test6 +[ 98%] Linking Fortran executable libgridxc-test1 +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test4.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 98%] Built target libgridxc-test2 +[ 98%] Built target libgridxc-test4 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test1.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -fbacktrace "CMakeFiles/libgridxc-test1.dir/test1.f90.o" -o libgridxc-test1 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 98%] Built target libgridxc-test4 [ 98%] Built target libgridxc-test1 [100%] Linking Fortran executable libgridxc-test3 cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test3.dir/link.txt --verbose=1 @@ -860,10 +896,10 @@ /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' dh_auto_test -O--buildsystem=cmake - cd obj-x86_64-linux-gnu && make -j12 test ARGS\+=--verbose ARGS\+=-j12 + cd obj-x86_64-linux-gnu && make -j16 test ARGS\+=--verbose ARGS\+=-j16 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j12 +/usr/bin/ctest --force-new-ctest-process --verbose -j16 UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu @@ -1779,77 +1815,6 @@ 6: 1 5.400 0.001243837 -0.310216436 -0.310216435 -0.000000000 6: 1 5.600 0.000944766 -0.277074102 -0.277074101 -0.000000001 6: 1 5.800 0.000710460 -0.248426892 -0.248426892 -0.000000000 -6: 1 6.000 0.000528944 -0.225324029 -0.225324030 0.000000001 -6: 1 6.200 0.000389881 -0.207630641 -0.207630641 0.000000000 -6: 1 6.400 0.000284517 -0.194187231 -0.194187233 0.000000002 -6: 1 6.600 0.000205559 -0.183339501 -0.183339503 0.000000002 -6: 1 6.800 0.000147033 -0.173510692 -0.173510694 0.000000003 -6: 1 7.000 0.000104122 -0.163573430 -0.163573432 0.000000003 -6: 1 7.200 0.000072999 -0.152957536 -0.152957538 0.000000003 -6: 1 7.400 0.000050669 -0.141563831 -0.141563835 0.000000004 -6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 -6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 -6: 1 8.000 0.000015954 -0.105308033 -0.105308040 0.000000007 -6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 -6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000012 -6: 1 8.600 0.000004589 -0.072448262 -0.072448276 0.000000013 -6: 1 8.800 0.000002969 -0.063127570 -0.063127580 0.000000010 -6: 1 9.000 0.000001902 -0.054712232 -0.054712227 -0.000000005 -6: 1 9.200 0.000001206 -0.047188843 -0.047188796 -0.000000047 -6: 1 9.400 0.000000757 -0.040518186 -0.040518098 -0.000000088 -6: 1 9.600 0.000000470 -0.034645149 -0.034645056 -0.000000093 -6: 1 9.800 0.000000289 -0.029506017 -0.029505927 -0.000000090 -6: 1 10.000 0.000000176 -0.025033604 -0.025033522 -0.000000081 -6: 1 10.200 0.000000106 -0.021160723 -0.021160649 -0.000000074 -6: 1 10.400 0.000000063 -0.017822436 -0.017822370 -0.000000066 -6: 1 10.600 0.000000037 -0.014957437 -0.014957387 -0.000000050 -6: 1 10.800 0.000000022 -0.012508831 -0.012508780 -0.000000052 -6: 1 11.000 0.000000013 -0.010424505 -0.010424510 0.000000004 -6: 1 11.200 0.000000007 -0.008657220 -0.008657187 -0.000000033 -6: 1 11.400 0.000000004 -0.007164525 -0.007164538 0.000000013 -6: 1 11.600 0.000000002 -0.005908554 -0.005908549 -0.000000005 -6: 1 11.800 0.000000001 -0.004855756 -0.004855752 -0.000000004 -6: iSpin r dens Vxc dExc/dDens diff -6: 2 0.000 0.031746818 -0.920374352 -6: 2 0.200 0.031588480 -0.919313228 -0.919313431 0.000000203 -6: 2 0.400 0.031118189 -0.916129853 -0.916129827 -0.000000026 -6: 2 0.600 0.030349878 -0.908537498 -0.908537507 0.000000009 -6: 2 0.800 0.029306007 -0.899875935 -0.899875939 0.000000004 -6: 2 1.000 0.028016469 -0.887406482 -0.887406498 0.000000016 -6: 2 1.200 0.026517171 -0.873372400 -0.873372406 0.000000006 -6: 2 1.400 0.024848378 -0.856614633 -0.856614634 0.000000002 -6: 2 1.600 0.023052921 -0.837890983 -0.837890983 -0.000000001 -6: 2 1.800 0.021174391 -0.817154056 -0.817154057 0.000000001 -6: 2 2.000 0.019255418 -0.794632457 -0.794632461 0.000000004 -6: 2 2.200 0.017336125 -0.770502247 -0.770502251 0.000000004 -6: 2 2.400 0.015452834 -0.744951774 -0.744951777 0.000000003 -6: 2 2.600 0.013637077 -0.718168689 -0.718168687 -0.000000002 -6: 2 2.800 0.011914930 -0.690336837 -0.690336838 0.000000001 -6: 2 3.000 0.010306678 -0.661632866 -0.661632864 -0.000000002 -6: 2 3.200 0.008826792 -0.632223061 -0.632223060 -0.000000001 -6: 2 3.400 0.007484177 -0.602259891 -0.602259893 0.000000001 -6: 2 3.600 0.006282640 -0.571876952 -0.571876952 0.000000000 -6: 2 3.800 0.005221523 -0.541180002 -0.541180004 0.000000002 -6: 2 4.000 0.004296443 -0.510231603 -0.510231604 0.000000001 -6: 2 4.200 0.003500077 -0.479029886 -0.479029884 -0.000000002 -6: 2 4.400 0.002822947 -0.447492103 -0.447492104 0.000000001 -6: 2 4.600 0.002254159 -0.415472518 -0.415472519 0.000000000 -6: 2 4.800 0.001782061 -0.382860808 -0.382860807 -0.000000001 -6: 2 5.000 0.001394815 -0.349787495 -0.349787495 -0.000000000 -6: 2 5.200 0.001080853 -0.316870200 -0.316870199 -0.000000001 -6: 2 5.400 0.000829225 -0.285306984 -0.285306983 -0.000000001 -6: 2 5.600 0.000629844 -0.256619554 -0.256619554 -0.000000000 -6: 2 5.800 0.000473640 -0.232083909 -0.232083908 -0.000000001 -6: 2 6.000 0.000352629 -0.212182116 -0.212182116 0.000000000 -6: 2 6.200 0.000259921 -0.196433380 -0.196433381 0.000000000 -6: 2 6.400 0.000189678 -0.183672030 -0.183672031 0.000000000 -6: 2 6.600 0.000137039 -0.172541723 -0.172541726 0.000000003 -6: 2 6.800 0.000098022 -0.161917868 -0.161917872 0.000000004 -6: 2 7.000 0.000069415 -0.151110560 -0.151110563 0.000000003 -6: 2 7.200 0.000048666 -0.139861549 -0.139861554 0.000000005 -6: 2 7.400 0.000033779 -0.128226737 -0.128226743 0.000000006 -6: 2 7.600 0.000023212 -0.116433222 -0.116433229 0.000000007 -6: 2 7.800 0.000015792 -0.104762753 -0.104762763 0.000000009 7: dr, rMax = 0.200000 20.000000 7: iSpin r dens Vxc dExc/dDens diff 7: 1 0.000 0.047620227 -0.980238765 @@ -1858,53 +1823,6 @@ 7: 1 0.600 0.045524817 -0.975266071 -0.975266099 0.000000028 7: 1 0.800 0.043959010 -0.975102121 -0.975102127 0.000000006 7: 1 1.000 0.042024703 -0.956001234 -0.956001222 -0.000000012 -7: 1 1.200 0.039775757 -0.943081485 -0.943081483 -0.000000002 -7: 1 1.400 0.037272568 -0.921422546 -0.921422556 0.000000010 -7: 1 1.600 0.034579382 -0.899005838 -0.899005838 -0.000000001 -7: 1 1.800 0.031761587 -0.874045663 -0.874045670 0.000000007 -7: 1 2.000 0.028883127 -0.847548881 -0.847548887 0.000000006 -7: 1 2.200 0.026004187 -0.819424112 -0.819424111 -0.000000000 -7: 1 2.400 0.023179251 -0.789580695 -0.789580699 0.000000004 -7: 1 2.600 0.020455616 -0.758088403 -0.758088402 -0.000000001 -7: 1 2.800 0.017872394 -0.725194479 -0.725194477 -0.000000003 -7: 1 3.000 0.015460016 -0.691188323 -0.691188324 0.000000002 -7: 1 3.200 0.013240188 -0.656330566 -0.656330563 -0.000000003 -7: 1 3.400 0.011226266 -0.620864165 -0.620864164 -0.000000001 -7: 1 3.600 0.009423960 -0.585034090 -0.585034089 -0.000000001 -7: 1 3.800 0.007832284 -0.549094197 -0.549094197 -0.000000000 -7: 1 4.000 0.006444664 -0.513309680 -0.513309680 -0.000000000 -7: 1 4.200 0.005250115 -0.477958213 -0.477958214 0.000000000 -7: 1 4.400 0.004234421 -0.443329016 -0.443329015 -0.000000001 -7: 1 4.600 0.003381238 -0.409718658 -0.409718659 0.000000001 -7: 1 4.800 0.002673091 -0.377422521 -0.377422522 0.000000001 -7: 1 5.000 0.002092223 -0.346721404 -0.346721404 0.000000000 -7: 1 5.200 0.001621280 -0.317864014 -0.317864012 -0.000000002 -7: 1 5.400 0.001243837 -0.291048148 -0.291048145 -0.000000003 -7: 1 5.600 0.000944766 -0.266406479 -0.266406481 0.000000003 -7: 1 5.800 0.000710460 -0.244007114 -0.244007114 -0.000000000 -7: 1 6.000 0.000528944 -0.223883655 -0.223883654 -0.000000000 -7: 1 6.200 0.000389881 -0.206110012 -0.206110014 0.000000001 -7: 1 6.400 0.000284517 -0.190918393 -0.190918393 -0.000000001 -7: 1 6.600 0.000205559 -0.178797194 -0.178797196 0.000000002 -7: 1 6.800 0.000147033 -0.170379794 -0.170379797 0.000000004 -7: 1 7.000 0.000104122 -0.165839032 -0.165839041 0.000000009 -7: 1 7.200 0.000072999 -0.163810071 -0.163810083 0.000000013 -7: 1 7.400 0.000050669 -0.160866313 -0.160866326 0.000000012 -7: 1 7.600 0.000034818 -0.153027998 -0.153027990 -0.000000007 -7: 1 7.800 0.000023687 -0.138670726 -0.138670683 -0.000000044 -7: 1 8.000 0.000015954 -0.119748941 -0.119748847 -0.000000094 -7: 1 8.200 0.000010638 -0.100010797 -0.100010654 -0.000000143 -7: 1 8.400 0.000007022 -0.082462504 -0.082462335 -0.000000169 -7: 1 8.600 0.000004589 -0.068350286 -0.068350135 -0.000000151 -7: 1 8.800 0.000002969 -0.057583471 -0.057583442 -0.000000030 -7: 1 9.000 0.000001902 -0.049506694 -0.049507028 0.000000334 -7: 1 9.200 0.000001206 -0.043402831 -0.043404135 0.000001304 -7: 1 9.400 0.000000757 -0.038686660 -0.038688834 0.000002175 -7: 1 9.600 0.000000470 -0.034934582 -0.034936830 0.000002248 -7: 1 9.800 0.000000289 -0.031858263 -0.031860487 0.000002224 -7: 1 10.000 0.000000176 -0.029267821 -0.029269964 0.000002144 -7: 1 10.200 0.000000106 -0.027039672 -0.027041720 0.000002048 -7: 1 10.400 0.000000063 -0.025092806 -0.025094748 0.000001941 8: Ex, Ec: -4.3915197423832817 -0.63516421031255166 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 @@ -1975,55 +1893,6 @@ 8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 8: 0.00000 0.00000 0.00000 0.00000 -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 0.02 sec -2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec -6: 2 8.000 0.000010636 -0.093477793 -0.093477805 0.000000012 -6: 2 8.200 0.000007092 -0.082785576 -0.082785590 0.000000014 -6: 2 8.400 0.000004681 -0.072828254 -0.072828270 0.000000016 -6: 2 8.600 0.000003059 -0.063687629 -0.063687643 0.000000014 -6: 2 8.800 0.000001979 -0.055396187 -0.055396188 0.000000002 -6: 2 9.000 0.000001268 -0.047949450 -0.047949418 -0.000000032 -6: 2 9.200 0.000000804 -0.041317198 -0.041317116 -0.000000082 -6: 2 9.400 0.000000504 -0.035452601 -0.035452511 -0.000000090 -6: 2 9.600 0.000000313 -0.030299188 -0.030299097 -0.000000090 -6: 2 9.800 0.000000193 -0.025795893 -0.025795812 -0.000000082 -6: 2 10.000 0.000000117 -0.021880577 -0.021880500 -0.000000077 1: GGA B88 0 4 Ex -0.001361909 -0.702992862 0.701630954 2 1: GGA C09 0 1 Ex -0.174435187 -0.174966927 0.000531739 2 1: GGA C09 0 2 Ex -0.158981397 -0.158449651 0.000531746 2 @@ -2212,6 +2081,48 @@ 1: GGA LYP 0 4 Ex -0.019819015 -0.131950143 0.112131127 2 1: GGA LYP 0 4 Ec -0.002886684 0.015764195 0.018650879 2 1: GGA WC 0 1 Ex -0.101044030 -0.100338605 0.000705425 2 +6: 1 6.000 0.000528944 -0.225324029 -0.225324030 0.000000001 +6: 1 6.200 0.000389881 -0.207630641 -0.207630641 0.000000000 +6: 1 6.400 0.000284517 -0.194187231 -0.194187233 0.000000002 +7: 1 1.200 0.039775757 -0.943081485 -0.943081483 -0.000000002 +7: 1 1.400 0.037272568 -0.921422546 -0.921422556 0.000000010 +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 -0.116978733 -0.117684190 0.000705457 2 1: GGA WC 0 3 Ex 0.001594408 0.005047501 0.003453093 2 1: GGA WC 0 4 Ex 0.014312971 0.013535645 0.000777326 2 @@ -2306,6 +2217,12 @@ 1: GGA PBEGcGxLO 0 3 Ex 0.000162929 1.667381316 1.667218387 2 1: GGA PBEGcGxLO 0 4 Ex -0.003317802 -1.172779057 1.169461255 2 1: GGA PBEGcGxHEG 0 1 Ex -1.073779632 -2.472705462 1.398925830 2 +6: 1 6.600 0.000205559 -0.183339501 -0.183339503 0.000000002 +6: 1 6.800 0.000147033 -0.173510692 -0.173510694 0.000000003 +6: 1 7.000 0.000104122 -0.163573430 -0.163573432 0.000000003 +6: 1 7.200 0.000072999 -0.152957536 -0.152957538 0.000000003 +7: 1 1.600 0.034579382 -0.899005838 -0.899005838 -0.000000001 +2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec 1: GGA PBEGcGxHEG 0 2 Ex -1.091818552 0.307107273 1.398925825 2 1: GGA PBEGcGxHEG 0 3 Ex 0.000564093 1.477331281 1.476767188 2 1: GGA PBEGcGxHEG 0 4 Ex -0.011486875 -1.037398623 1.025911748 2 @@ -2353,6 +2270,9 @@ 1: GGA PBE 0 4 Ex -0.015754615 -0.006475401 0.009279214 2 1: GGA RPBE 0 1 Ex -0.338876840 -0.341987647 0.003110807 2 1: GGA RPBE 0 2 Ex -0.292487875 -0.289377057 0.003110819 2 +6: 1 7.400 0.000050669 -0.141563831 -0.141563835 0.000000004 +6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 +7: 1 1.800 0.031761587 -0.874045663 -0.874045670 0.000000007 1: GGA RPBE 0 3 Ex 0.039010001 0.039641950 0.000631949 2 1: GGA RPBE 0 4 Ex -0.035273413 -0.032528968 0.002744445 2 1: GGA revPBE 0 1 Ex -0.318517851 -0.339493938 0.020976088 2 @@ -2375,18 +2295,21 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.265848207 -0.252750438 0.013097769 2 1: GGA PBEJsJrLO 0 3 Ex 0.009776621 0.012437470 0.002660849 2 1: GGA PBEJsJrLO 0 4 Ex -0.008840163 0.002715155 0.011555319 2 +6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 1: GGA PBEJsJrHEG 0 1 Ex -0.262552329 -0.269754290 0.007201960 2 1: GGA PBEJsJrHEG 0 2 Ex -0.239054347 -0.231852376 0.007201970 2 1: GGA PBEJsJrHEG 0 3 Ex 0.019760224 0.021223317 0.001463093 2 1: GGA PBEJsJrHEG 0 4 Ex -0.017867483 -0.011513659 0.006353824 2 1: GGA PBEGcGxLO 0 1 Ex -0.268094223 -0.282562116 0.014467893 2 1: GGA PBEGcGxLO 0 2 Ex -0.261739650 -0.247271746 0.014467904 2 +7: 1 2.000 0.028883127 -0.847548881 -0.847548887 0.000000006 1: GGA PBEGcGxLO 0 3 Ex 0.005343768 0.008282975 0.002939207 2 1: GGA PBEGcGxLO 0 4 Ex -0.004831913 0.007932200 0.012764113 2 1: GGA PBEGcGxHEG 0 1 Ex -0.256657120 -0.264825777 0.008168657 2 1: GGA PBEGcGxHEG 0 2 Ex -0.236491164 -0.228322498 0.008168666 2 1: GGA PBEGcGxHEG 0 3 Ex 0.016958214 0.018617697 0.001659483 2 1: GGA PBEGcGxHEG 0 4 Ex -0.015333864 -0.008127183 0.007206682 2 +6: 1 8.000 0.000015954 -0.105308033 -0.105308040 0.000000007 1: GGA PBESOL 0 1 Ex -0.268094223 -0.282562116 0.014467893 2 1: GGA PBESOL 0 2 Ex -0.261739650 -0.247271746 0.014467904 2 1: GGA PBESOL 0 3 Ex 0.005343768 0.008282975 0.002939207 2 @@ -2405,11 +2328,13 @@ 1: GGA PW86 0 4 Ex 0.025599076 0.030784002 0.005184926 2 1: GGA B88 0 1 Ex -0.239783634 -0.203301870 0.036481764 2 1: GGA B88 0 2 Ex -0.285250758 -0.321732479 0.036481721 2 +6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 1: GGA B88 0 3 Ex -0.038234795 -0.045482986 0.007248191 2 1: GGA B88 0 4 Ex 0.034572460 0.002567452 0.032005009 2 1: GGA C09 0 1 Ex -0.254565701 -0.292626526 0.038060825 2 1: GGA C09 0 2 Ex -0.292951040 -0.254890202 0.038060839 2 1: GGA C09 0 3 Ex -0.032279490 -0.024547578 0.007731912 2 +7: 1 2.200 0.026004187 -0.819424112 -0.819424111 -0.000000000 1: GGA C09 0 4 Ex 0.029187587 0.062765941 0.033578355 2 1: GGA BH 0 1 Ex -0.300086823 -0.305524490 0.005437667 2 1: GGA BH 0 2 Ex -0.329209657 -0.323771971 0.005437687 2 @@ -2427,6 +2352,7 @@ 1: GGA PW91 0 4 Ex -0.006716649 0.171952439 0.178669088 2 1: GGA PBE 0 1 Ex -0.263615723 -0.270532744 0.006917021 2 1: GGA PBE 0 2 Ex -0.357664228 -0.350747165 0.006917063 2 +6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000012 1: GGA PBE 0 3 Ex 0.035091876 0.043663054 0.008571179 2 1: GGA PBE 0 4 Ex -0.001424329 -0.018620515 0.017196186 2 1: GGA RPBE 0 1 Ex -0.268248637 -0.268257553 0.000008917 2 @@ -2441,6 +2367,8 @@ 1: GGA LYP 0 1 Ec -0.803007787 -1.103836378 0.300828590 2 1: GGA LYP 0 2 Ex -0.250027847 -0.147758232 0.102269615 2 1: GGA LYP 0 2 Ec -0.437031575 -0.136202983 0.300828591 2 +6: 1 8.600 0.000004589 -0.072448262 -0.072448276 0.000000013 +7: 1 2.400 0.023179251 -0.789580695 -0.789580699 0.000000004 1: GGA LYP 0 3 Ex -0.020300162 0.102099865 0.122400026 2 1: GGA LYP 0 3 Ec -0.136554981 0.252238856 0.388793837 2 1: GGA LYP 0 4 Ex 0.000823955 -0.359981395 0.360805350 2 @@ -2458,6 +2386,7 @@ 1: GGA PBEJsJrHEG 0 3 Ex 0.032304634 0.038168956 0.005864322 2 1: GGA PBEJsJrHEG 0 4 Ex -0.001311199 -0.013076751 0.011765551 2 1: GGA PBEGcGxLO 0 1 Ex -0.260679337 -0.271603585 0.010924248 2 +6: 1 8.800 0.000002969 -0.063127570 -0.063127580 0.000000010 1: GGA PBEGcGxLO 0 2 Ex -0.335086172 -0.324161884 0.010924288 2 1: GGA PBEGcGxLO 0 3 Ex 0.027763072 0.041299401 0.013536329 2 1: GGA PBEGcGxLO 0 4 Ex -0.001126864 -0.028292865 0.027166001 2 @@ -2469,10 +2398,12 @@ 1: GGA PBESOL 0 2 Ex -0.335086172 -0.324161884 0.010924288 2 1: GGA PBESOL 0 3 Ex 0.027763072 0.041299401 0.013536329 2 1: GGA PBESOL 0 4 Ex -0.001126864 -0.028292865 0.027166001 2 +7: 1 2.600 0.020455616 -0.758088403 -0.758088402 -0.000000001 1: GGA AM05 0 1 Ex -0.255661759 -0.324480938 0.068819179 2 1: GGA AM05 0 1 Ec -0.050034481 -0.050001117 0.000033364 2 1: GGA AM05 0 2 Ex -0.210227073 -0.141407894 0.068819178 2 1: GGA AM05 0 2 Ec -0.026694334 -0.026727698 0.000033364 2 +6: 1 9.000 0.000001902 -0.054712232 -0.054712227 -0.000000005 1: GGA AM05 0 3 Ex -0.016952831 0.065608921 0.082561751 2 1: GGA AM05 0 3 Ec -0.008708799 -0.008750138 0.000041339 2 1: GGA AM05 0 4 Ex 0.000688091 -0.237265108 0.237953199 2 @@ -2492,6 +2423,7 @@ 1: GGA BH 0 1 Ex -0.340676963 -0.378519922 0.037842959 2 1: GGA BH 0 2 Ex -0.326216986 -0.288373970 0.037843016 2 1: GGA BH 0 3 Ex -0.005395383 0.040641557 0.046036940 2 +6: 1 9.200 0.000001206 -0.047188843 -0.047188796 -0.000000047 1: GGA BH 0 4 Ex 0.000218991 -0.114936514 0.115155505 2 1: 1: iSpin dens gradDens @@ -2504,6 +2436,7 @@ 1: GGA PW91 0 3 Ex -0.028808329 -0.020617446 0.008190883 2 1: GGA PW91 0 4 Ex -0.086892785 -0.073039268 0.013853517 2 1: GGA PBE 0 1 Ex -0.984635015 -0.965560703 0.019074312 2 +7: 1 2.800 0.017872394 -0.725194479 -0.725194477 -0.000000003 1: GGA PBE 0 2 Ex -1.009418217 -1.028492536 0.019074319 2 1: GGA PBE 0 3 Ex -0.010659795 0.051745364 0.062405159 2 1: GGA PBE 0 4 Ex -0.032152483 -0.045490958 0.013338475 2 @@ -2512,6 +2445,7 @@ 1: GGA RPBE 0 3 Ex -0.028188990 0.050551036 0.078740026 2 1: GGA RPBE 0 4 Ex -0.085024711 -0.100997545 0.015972834 2 1: GGA revPBE 0 1 Ex -1.014087656 -0.991680486 0.022407170 2 +6: 1 9.400 0.000000757 -0.040518186 -0.040518098 -0.000000088 1: GGA revPBE 0 2 Ex -1.126260985 -1.148668162 0.022407177 2 1: GGA revPBE 0 3 Ex -0.048248195 0.031055636 0.079303830 2 1: GGA revPBE 0 4 Ex -0.145528052 -0.163184605 0.017656553 2 @@ -2532,6 +2466,7 @@ 1: GGA PBEJsJrLO 0 3 Ex -0.007564238 0.045336159 0.052900397 2 1: GGA PBEJsJrLO 0 4 Ex -0.022815544 -0.034502291 0.011686747 2 1: GGA PBEJsJrHEG 0 1 Ex -0.962357695 -0.949234300 0.013123395 2 +6: 1 9.600 0.000000470 -0.034645149 -0.034645056 -0.000000093 1: GGA PBEJsJrHEG 0 2 Ex -0.929089329 -0.942212730 0.013123401 2 1: GGA PBEJsJrHEG 0 3 Ex 0.014309450 0.057223581 0.042914131 2 1: GGA PBEJsJrHEG 0 4 Ex 0.043160711 0.033990778 0.009169933 2 @@ -2539,6 +2474,7 @@ 1: GGA PBEGcGxLO 0 2 Ex -0.988882882 -1.001839459 0.012956577 2 1: GGA PBEGcGxLO 0 3 Ex -0.004626196 0.043083560 0.047709756 2 1: GGA PBEGcGxLO 0 4 Ex -0.013953710 -0.024777872 0.010824162 2 +7: 1 3.000 0.015460016 -0.691188323 -0.691188324 0.000000002 1: GGA PBEGcGxHEG 0 1 Ex -0.959358477 -0.947661131 0.011697345 2 1: GGA PBEGcGxHEG 0 2 Ex -0.924069704 -0.935767056 0.011697351 2 1: GGA PBEGcGxHEG 0 3 Ex 0.015178470 0.054569559 0.039391088 2 @@ -2551,17 +2487,13 @@ 1: GGA AM05 0 1 Ec -0.068336087 -0.068598838 0.000262751 2 1: GGA AM05 0 2 Ex -0.725911594 -0.705298913 0.020612681 2 1: GGA AM05 0 2 Ec -0.089952239 -0.089689488 0.000262751 2 +6: 1 9.800 0.000000289 -0.029506017 -0.029505927 -0.000000090 1: GGA AM05 0 3 Ex 0.052482786 0.145658715 0.093175929 2 1: GGA AM05 0 3 Ec -0.009297579 -0.010100758 0.000803180 2 1: GGA AM05 0 4 Ex 0.158300588 0.119465005 0.038835584 2 1: GGA AM05 0 4 Ec -0.028043713 -0.027878692 0.000165021 2 1: GGA PW86 0 1 Ex -0.976746856 -0.972730049 0.004016807 2 1: GGA PW86 0 2 Ex -0.948568897 -0.952585712 0.004016815 2 -6: 2 10.200 0.000000071 -0.018492378 -0.018492313 -0.000000065 -6: 2 10.400 0.000000042 -0.015573224 -0.015573163 -0.000000061 -6: 2 10.600 0.000000025 -0.013068736 -0.013068683 -0.000000052 -6: 2 10.800 0.000000015 -0.010928714 -0.010928698 -0.000000016 -6: 2 11.000 0.000000008 -0.009107337 -0.009107277 -0.000000060 1: GGA PW86 0 3 Ex 0.012119955 0.105047943 0.092927988 2 1: GGA PW86 0 4 Ex 0.036556671 0.007295516 0.029261155 2 1: GGA B88 0 1 Ex -0.882693738 -0.906671373 0.023977634 2 @@ -2576,6 +2508,7 @@ 1: GGA BH 0 2 Ex -0.935314001 -0.936851275 0.001537274 2 1: GGA BH 0 3 Ex -0.002622214 0.079458657 0.082080870 2 1: GGA BH 0 4 Ex -0.007909222 -0.034529754 0.026620532 2 +6: 1 10.000 0.000000176 -0.025033604 -0.025033522 -0.000000081 1: 1: iSpin dens gradDens 1: 1 0.501487420 -0.834317081 1.567087375 0.270300016 @@ -2584,6 +2517,7 @@ 1: 4 -0.119557466 2.632123974 1.473074641 -1.656400844 1: GGA PW91 0 1 Ex -0.934724364 -0.923456390 0.011267974 2 1: GGA PW91 0 2 Ex -0.596738806 -0.608006783 0.011267977 2 +7: 1 3.200 0.013240188 -0.656330566 -0.656330563 -0.000000003 1: GGA PW91 0 3 Ex -0.086599959 -0.019898411 0.066701549 2 1: GGA PW91 0 4 Ex 0.103248538 0.177637550 0.074389012 2 1: GGA PBE 0 1 Ex -0.964474258 -0.940455050 0.024019207 2 @@ -2598,6 +2532,7 @@ 1: GGA revPBE 0 2 Ex -1.011445813 -1.037039276 0.025593463 2 1: GGA revPBE 0 3 Ex 0.007505884 0.072271908 0.064766024 2 1: GGA revPBE 0 4 Ex -0.008948867 0.087264058 0.096212926 2 +6: 1 10.200 0.000000106 -0.021160723 -0.021160649 -0.000000074 1: GGA LYP 0 1 Ex -0.946468760 -0.868184173 0.078284587 2 1: GGA LYP 0 1 Ec -0.049590194 -0.061607096 0.012016902 2 1: GGA LYP 0 2 Ex -0.691900335 -0.770184922 0.078284588 2 @@ -2618,7 +2553,9 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.750529874 -0.767078790 0.016548916 2 1: GGA PBEJsJrHEG 0 3 Ex -0.054447239 -0.011450873 0.042996366 2 1: GGA PBEJsJrHEG 0 4 Ex 0.064914555 0.128064400 0.063149846 2 +6: 1 10.400 0.000000063 -0.017822436 -0.017822370 -0.000000066 1: GGA PBEGcGxLO 0 1 Ex -0.976676945 -0.961959713 0.014717231 2 +7: 1 3.400 0.011226266 -0.620864165 -0.620864164 -0.000000001 1: GGA PBEGcGxLO 0 2 Ex -0.838466140 -0.853183375 0.014717235 2 1: GGA PBEGcGxLO 0 3 Ex -0.035412904 0.001325525 0.036738429 2 1: GGA PBEGcGxLO 0 4 Ex 0.042220927 0.097123897 0.054902970 2 @@ -2636,6 +2573,7 @@ 1: GGA AM05 0 2 Ec -0.128997918 -0.127348428 0.001649490 2 1: GGA AM05 0 3 Ex -0.094807867 -0.092394739 0.002413128 2 1: GGA AM05 0 3 Ec 0.018218244 0.013846012 0.004372232 2 +6: 1 10.600 0.000000037 -0.014957437 -0.014957387 -0.000000050 1: GGA AM05 0 4 Ex 0.113034391 0.176964910 0.063930519 2 1: GGA AM05 0 4 Ec -0.021720645 -0.028087681 0.006367035 2 1: GGA PW86 0 1 Ex -0.934426064 -0.885856988 0.048569076 2 @@ -2651,9 +2589,11 @@ 1: GGA C09 0 3 Ex 0.004276581 0.032842647 0.028566066 2 1: GGA C09 0 4 Ex -0.005098741 0.038760809 0.043859550 2 1: GGA BH 0 1 Ex -0.978801976 -0.951276341 0.027525635 2 +7: 1 3.600 0.009423960 -0.585034090 -0.585034089 -0.000000001 1: GGA BH 0 2 Ex -0.828001758 -0.855527399 0.027525641 2 1: GGA BH 0 3 Ex -0.038638612 -0.010486319 0.028152293 2 1: GGA BH 0 4 Ex 0.046066767 0.114732341 0.068665574 2 +6: 1 10.800 0.000000022 -0.012508831 -0.012508780 -0.000000052 1: 1: iSpin dens gradDens 1: 1 1.613406918 -16.191844636 18.089762272 -19.200724899 @@ -2677,6 +2617,7 @@ 1: GGA revPBE 0 3 Ex 0.021810206 -0.792862382 0.814672588 2 1: GGA revPBE 0 4 Ex 0.067725741 -0.316937810 0.384663551 2 1: GGA LYP 0 1 Ex -1.289392591 -0.720161386 0.569231205 2 +6: 1 11.000 0.000000013 -0.010424505 -0.010424510 0.000000004 1: GGA LYP 0 1 Ec -0.130266773 -0.160029048 0.029762274 2 1: GGA LYP 0 2 Ex -1.510556188 -2.079787393 0.569231205 2 1: GGA LYP 0 2 Ec -0.060245718 -0.030483444 0.029762274 2 @@ -2691,6 +2632,7 @@ 1: GGA PBEJsJrLO 0 1 Ex -1.393975687 -1.001241933 0.392733754 2 1: GGA PBEJsJrLO 0 2 Ex -1.538566520 -1.931300274 0.392733754 2 1: GGA PBEJsJrLO 0 3 Ex 0.021237749 -0.523600319 0.544838068 2 +7: 1 3.800 0.007832284 -0.549094197 -0.549094197 -0.000000000 1: GGA PBEJsJrLO 0 4 Ex 0.065948130 -0.189126873 0.255075003 2 1: GGA PBEJsJrHEG 0 1 Ex -1.471516667 -1.155921021 0.315595646 2 1: GGA PBEJsJrHEG 0 2 Ex -1.559693555 -1.875289201 0.315595646 2 @@ -2699,6 +2641,7 @@ 1: GGA PBEGcGxLO 0 1 Ex -1.361040632 -1.004293317 0.356747315 2 1: GGA PBEGcGxLO 0 2 Ex -1.544274566 -1.901021881 0.356747315 2 1: GGA PBEGcGxLO 0 3 Ex 0.026913714 -0.460511487 0.487425201 2 +6: 1 11.200 0.000000007 -0.008657220 -0.008657187 -0.000000033 1: GGA PBEGcGxLO 0 4 Ex 0.083573315 -0.150540748 0.234114063 2 1: GGA PBEGcGxHEG 0 1 Ex -1.435866255 -1.145179706 0.290686549 2 1: GGA PBEGcGxHEG 0 2 Ex -1.562449086 -1.853135635 0.290686549 2 @@ -2714,17 +2657,15 @@ 1: GGA AM05 0 2 Ec -0.082804896 -0.072241413 0.010563482 2 1: GGA AM05 0 3 Ex 0.047271319 -0.261487421 0.308758739 2 1: GGA AM05 0 3 Ec -0.000992150 0.016266964 0.017259113 2 -6: 2 11.200 0.000000005 -0.007563161 -0.007563144 -0.000000017 -6: 2 11.400 0.000000003 -0.006258998 -0.006258965 -0.000000033 -6: 2 11.600 0.000000002 -0.005161710 -0.005161524 -0.000000187 -6: avgDiffVxc, maxDiffVxc = 0.000000036 0.000000268 1: GGA AM05 0 4 Ex 0.146788394 -0.026947064 0.173735457 2 1: GGA AM05 0 4 Ec -0.003080854 0.002941252 0.006022106 2 1: GGA PW86 0 1 Ex -1.503355565 -0.963520370 0.539835195 2 1: GGA PW86 0 2 Ex -1.485674629 -2.025509824 0.539835195 2 +6: 1 11.400 0.000000004 -0.007164525 -0.007164538 0.000000013 1: GGA PW86 0 3 Ex -0.002597006 -0.796996702 0.794399695 2 1: GGA PW86 0 4 Ex -0.008064305 -0.344030654 0.335966349 2 1: GGA B88 0 1 Ex -1.287671572 -0.718902060 0.568769512 2 +7: 1 4.000 0.006444664 -0.513309680 -0.513309680 -0.000000000 1: GGA B88 0 2 Ex -1.508283773 -2.077053285 0.568769512 2 1: GGA B88 0 3 Ex 0.032403898 -0.745338280 0.777742178 2 1: GGA B88 0 4 Ex 0.100621608 -0.272428229 0.373049837 2 @@ -2736,11 +2677,11 @@ 1: GGA BH 0 2 Ex -1.503392089 -2.000352329 0.496960240 2 1: GGA BH 0 3 Ex 0.061836860 -0.568546481 0.630383342 2 1: GGA BH 0 4 Ex 0.192017773 -0.149766410 0.341784182 2 -3/9 Test #6: libgridxc_test_libxc ............. Passed 0.05 sec 1: 1: iSpin dens gradDens 1: 1 0.138552677 1.013876060 -0.762613242 0.743387113 1: 2 0.117811609 0.753539364 1.088476857 -0.696405807 +6: 1 11.600 0.000000002 -0.005908554 -0.005908549 -0.000000005 1: 3 0.000406371 -0.876583184 0.658030341 0.421652315 1: 4 -0.003490487 -0.322657442 -0.377045938 -0.459906965 1: GGA PW91 0 1 Ex -0.740400944 -0.807630181 0.067229237 2 @@ -2759,8 +2700,10 @@ 1: GGA revPBE 0 2 Ex -0.732350283 -0.597640568 0.134709715 2 1: GGA revPBE 0 3 Ex 0.000771204 0.616099462 0.615328258 2 1: GGA revPBE 0 4 Ex -0.006624190 -0.335220341 0.328596151 2 +6: 1 11.800 0.000000001 -0.004855756 -0.004855752 -0.000000004 1: GGA LYP 0 1 Ex -0.573655060 -0.777254054 0.203598994 2 1: GGA LYP 0 1 Ec -0.126976523 -0.078593033 0.048383490 2 +7: 1 4.200 0.005250115 -0.477958213 -0.477958214 0.000000000 1: GGA LYP 0 2 Ex -0.552892338 -0.349293344 0.203598994 2 1: GGA LYP 0 2 Ec -0.129688298 -0.178071788 0.048383490 2 1: GGA LYP 0 3 Ex -0.000406795 0.702742711 0.703149506 2 @@ -2782,6 +2725,9 @@ 1: GGA PBEGcGxLO 0 1 Ex -0.654328461 -0.744085865 0.089757404 2 1: GGA PBEGcGxLO 0 2 Ex -0.665045161 -0.575287752 0.089757408 2 1: GGA PBEGcGxLO 0 3 Ex 0.000209968 0.398539409 0.398329441 2 +6: iSpin r dens Vxc dExc/dDens diff +6: 2 0.000 0.031746818 -0.920374352 +6: 2 0.200 0.031588480 -0.919313228 -0.919313431 0.000000203 1: GGA PBEGcGxLO 0 4 Ex -0.001803499 -0.222106028 0.220302529 2 1: GGA PBEGcGxHEG 0 1 Ex -0.691915810 -0.747359879 0.055444068 2 1: GGA PBEGcGxHEG 0 2 Ex -0.692363422 -0.636919350 0.055444072 2 @@ -2792,10 +2738,12 @@ 1: GGA PBESOL 0 3 Ex 0.000209968 0.398539409 0.398329441 2 1: GGA PBESOL 0 4 Ex -0.001803499 -0.222106028 0.220302529 2 1: GGA AM05 0 1 Ex -0.521796386 -0.655348172 0.133551787 2 +7: 1 4.400 0.004234421 -0.443329016 -0.443329015 -0.000000001 1: GGA AM05 0 1 Ec -0.054502557 -0.054101569 0.000400988 2 1: GGA AM05 0 2 Ex -0.494170842 -0.360619056 0.133551786 2 1: GGA AM05 0 2 Ec -0.059416863 -0.059817851 0.000400988 2 1: GGA AM05 0 3 Ex -0.000541256 0.446924254 0.447465510 2 +6: 2 0.400 0.031118189 -0.916129853 -0.916129827 -0.000000026 1: GGA AM05 0 3 Ec 0.000096284 -0.002202792 0.002299076 2 1: GGA AM05 0 4 Ex 0.004649066 -0.340049641 0.344698708 2 1: GGA AM05 0 4 Ec -0.000827022 0.000096683 0.000923705 2 @@ -2814,6 +2762,7 @@ 1: GGA BH 0 1 Ex -0.634712282 -0.752458664 0.117746382 2 1: GGA BH 0 2 Ex -0.694351746 -0.576605360 0.117746386 2 1: GGA BH 0 3 Ex 0.001168491 0.598419026 0.597250535 2 +6: 2 0.600 0.030349878 -0.908537498 -0.908537507 0.000000009 1: GGA BH 0 4 Ex -0.010036647 -0.290337946 0.280301299 2 1: 1: iSpin dens gradDens @@ -2828,11 +2777,13 @@ 1: GGA PBE 0 1 Ex -0.850302551 -0.711854473 0.138448077 2 1: GGA PBE 0 2 Ex -0.833412165 -0.971860218 0.138448053 2 1: GGA PBE 0 3 Ex -0.003416407 -0.267067780 0.263651374 2 +7: 1 4.600 0.003381238 -0.409718658 -0.409718659 0.000000001 1: GGA PBE 0 4 Ex 0.004893500 0.059758201 0.054864701 2 1: GGA RPBE 0 1 Ex -0.930070233 -0.741697902 0.188372331 2 1: GGA RPBE 0 2 Ex -0.766172931 -0.954545236 0.188372305 2 1: GGA RPBE 0 3 Ex -0.033151393 -0.387274368 0.354122975 2 1: GGA RPBE 0 4 Ex 0.047484501 0.125345455 0.077860954 2 +6: 2 0.800 0.029306007 -0.899875935 -0.899875939 0.000000004 1: GGA revPBE 0 1 Ex -0.797243503 -0.600954392 0.196289110 2 1: GGA revPBE 0 2 Ex -0.761927347 -0.958216431 0.196289084 2 1: GGA revPBE 0 3 Ex -0.007143374 -0.386578378 0.379435003 2 @@ -2853,6 +2804,7 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.804820419 -0.933862983 0.129042564 2 1: GGA PBEJsJrLO 0 3 Ex 0.005229233 -0.243624851 0.248854084 2 1: GGA PBEJsJrLO 0 4 Ex -0.007490108 0.041473374 0.048963482 2 +6: 2 1.000 0.028016469 -0.887406482 -0.887406498 0.000000016 1: GGA PBEJsJrHEG 0 1 Ex -0.807859133 -0.712760672 0.095098461 2 1: GGA PBEJsJrHEG 0 2 Ex -0.846680749 -0.941779188 0.095098439 2 1: GGA PBEJsJrHEG 0 3 Ex 0.007852421 -0.173223457 0.181075879 2 @@ -2860,6 +2812,7 @@ 1: GGA PBEGcGxLO 0 1 Ex -0.744390998 -0.622946059 0.121444939 2 1: GGA PBEGcGxLO 0 2 Ex -0.797511438 -0.918956354 0.121444916 2 1: GGA PBEGcGxLO 0 3 Ex 0.010744635 -0.225218276 0.235962911 2 +7: 1 4.800 0.002673091 -0.377422521 -0.377422522 0.000000001 1: GGA PBEGcGxLO 0 4 Ex -0.015390111 0.029461362 0.044851473 2 1: GGA PBEGcGxHEG 0 1 Ex -0.780339015 -0.688184449 0.092154566 2 1: GGA PBEGcGxHEG 0 2 Ex -0.834020351 -0.926174895 0.092154544 2 @@ -2867,6 +2820,7 @@ 1: GGA PBEGcGxHEG 0 4 Ex -0.015552614 0.020162737 0.035715351 2 1: GGA PBESOL 0 1 Ex -0.744390998 -0.622946059 0.121444939 2 1: GGA PBESOL 0 2 Ex -0.797511438 -0.918956354 0.121444916 2 +6: 2 1.200 0.026517171 -0.873372400 -0.873372406 0.000000006 1: GGA PBESOL 0 3 Ex 0.010744635 -0.225218276 0.235962911 2 1: GGA PBESOL 0 4 Ex -0.015390111 0.029461362 0.044851473 2 1: GGA AM05 0 1 Ex -0.583364996 -0.473318770 0.110046226 2 @@ -2886,6 +2840,7 @@ 1: GGA B88 0 3 Ex 0.026543004 -0.356476252 0.383019256 2 1: GGA B88 0 4 Ex -0.038018954 0.025930184 0.063949138 2 1: GGA C09 0 1 Ex -0.544105186 -0.377820775 0.166284411 2 +6: 2 1.400 0.024848378 -0.856614633 -0.856614634 0.000000002 1: GGA C09 0 2 Ex -0.725429504 -0.891713891 0.166284388 2 1: GGA C09 0 3 Ex 0.036676344 -0.300139499 0.336815843 2 1: GGA C09 0 4 Ex -0.052533475 -0.000708802 0.051824673 2 @@ -2893,6 +2848,7 @@ 1: GGA BH 0 2 Ex -0.694499653 -0.866375979 0.171876326 2 1: GGA BH 0 3 Ex -0.011586460 -0.344051213 0.332464753 2 1: GGA BH 0 4 Ex 0.016595902 0.081108853 0.064512951 2 +7: 1 5.000 0.002092223 -0.346721404 -0.346721404 0.000000000 1: 1: iSpin dens gradDens 1: 1 0.009380380 -0.006567123 0.062741716 0.047197779 @@ -2907,6 +2863,7 @@ 1: GGA PBE 0 2 Ex -0.297609776 -0.205756643 0.091853133 2 1: GGA PBE 0 3 Ex 0.024852291 -0.173287612 0.198139903 2 1: GGA PBE 0 4 Ex 0.006227200 0.138497691 0.132270490 2 +6: 2 1.600 0.023052921 -0.837890983 -0.837890983 -0.000000001 1: GGA RPBE 0 1 Ex -0.447997673 -0.559822258 0.111824585 2 1: GGA RPBE 0 2 Ex -0.290552146 -0.178727555 0.111824590 2 1: GGA RPBE 0 3 Ex 0.043824602 -0.186285431 0.230110033 2 @@ -2927,12 +2884,14 @@ 1: GGA WC 0 2 Ex -0.310626701 -0.245796638 0.064830063 2 1: GGA WC 0 3 Ex 0.020169374 -0.122974335 0.143143709 2 1: GGA WC 0 4 Ex 0.005053809 0.111565810 0.106512001 2 +6: 2 1.800 0.021174391 -0.817154056 -0.817154057 0.000000001 1: GGA PBEJsJrLO 0 1 Ex -0.366031558 -0.437821916 0.071790358 2 1: GGA PBEJsJrLO 0 2 Ex -0.300077816 -0.228287453 0.071790363 2 1: GGA PBEJsJrLO 0 3 Ex 0.018358073 -0.141470809 0.159828882 2 1: GGA PBEJsJrLO 0 4 Ex 0.004599954 0.127803145 0.123203191 2 1: GGA PBEJsJrHEG 0 1 Ex -0.347441353 -0.410662121 0.063220769 2 1: GGA PBEJsJrHEG 0 2 Ex -0.303793504 -0.240572731 0.063220773 2 +7: 1 5.200 0.001621280 -0.317864014 -0.317864012 -0.000000002 1: GGA PBEJsJrHEG 0 3 Ex 0.012149279 -0.124190083 0.136339361 2 1: GGA PBEJsJrHEG 0 4 Ex 0.003044226 0.093937512 0.090893286 2 1: GGA PBEGcGxLO 0 1 Ex -0.353037839 -0.414798762 0.061760923 2 @@ -2941,6 +2900,7 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.003574689 0.123337216 0.119762527 2 1: GGA PBEGcGxHEG 0 1 Ex -0.339950716 -0.395480020 0.055529304 2 1: GGA PBEGcGxHEG 0 2 Ex -0.304596593 -0.249067284 0.055529309 2 +6: 2 2.000 0.019255418 -0.794632457 -0.794632461 0.000000004 1: GGA PBEGcGxHEG 0 3 Ex 0.009840739 -0.111753570 0.121594310 2 1: GGA PBEGcGxHEG 0 4 Ex 0.002465779 0.089652439 0.087186660 2 1: GGA PBESOL 0 1 Ex -0.353037839 -0.414798762 0.061760923 2 @@ -2959,10 +2919,12 @@ 1: GGA PW86 0 2 Ex -0.295219476 -0.194016933 0.101202543 2 1: GGA PW86 0 3 Ex 0.010859931 -0.228861809 0.239721739 2 1: GGA PW86 0 4 Ex 0.002721156 0.233916133 0.231194977 2 +6: 2 2.200 0.017336125 -0.770502247 -0.770502251 0.000000004 1: GGA B88 0 1 Ex -0.259557639 -0.349532755 0.089975116 2 1: GGA B88 0 2 Ex -0.290611108 -0.200635984 0.089975124 2 1: GGA B88 0 3 Ex -0.008643662 -0.268021412 0.259377750 2 1: GGA B88 0 4 Ex -0.002165829 0.387963701 0.390129530 2 +7: 1 5.400 0.001243837 -0.291048148 -0.291048145 -0.000000003 1: GGA C09 0 1 Ex -0.370619836 -0.425929570 0.055309734 2 1: GGA C09 0 2 Ex -0.302750519 -0.247440778 0.055309740 2 1: GGA C09 0 3 Ex 0.018891269 -0.126939042 0.145830311 2 @@ -2981,6 +2943,7 @@ 1: GGA PW91 0 2 Ex -0.742672361 -0.448796296 0.293876065 2 1: GGA PW91 0 3 Ex -0.091213879 -0.277905718 0.186691839 2 1: GGA PW91 0 4 Ex -0.028280314 0.433990665 0.462270979 2 +6: 2 2.400 0.015452834 -0.744951774 -0.744951777 0.000000003 1: GGA PBE 0 1 Ex -0.741552858 -0.998168008 0.256615149 2 1: GGA PBE 0 2 Ex -0.770639652 -0.514024504 0.256615148 2 1: GGA PBE 0 3 Ex -0.098551981 -0.261511522 0.162959541 2 @@ -3002,6 +2965,8 @@ 1: GGA LYP 0 4 Ex -0.028656088 0.692094028 0.720750117 2 1: GGA LYP 0 4 Ec -0.029853320 0.204572556 0.234425876 2 1: GGA WC 0 1 Ex -0.644715236 -0.960594090 0.315878854 2 +7: 1 5.600 0.000944766 -0.266406479 -0.266406481 0.000000003 +6: 2 2.600 0.013637077 -0.718168689 -0.718168687 -0.000000002 1: GGA WC 0 2 Ex -0.669964499 -0.354085647 0.315878853 2 1: GGA WC 0 3 Ex -0.085549645 -0.285087397 0.199537752 2 1: GGA WC 0 4 Ex -0.026524152 0.466706763 0.493230915 2 @@ -3017,6 +2982,7 @@ 1: GGA PBEGcGxLO 0 2 Ex -0.681420894 -0.412799472 0.268621423 2 1: GGA PBEGcGxLO 0 3 Ex -0.091780961 -0.261124385 0.169343424 2 1: GGA PBEGcGxLO 0 4 Ex -0.028456134 0.389880534 0.418336669 2 +6: 2 2.800 0.011914930 -0.690336837 -0.690336838 0.000000001 1: GGA PBEGcGxHEG 0 1 Ex -0.695862440 -0.878178900 0.182316460 2 1: GGA PBEGcGxHEG 0 2 Ex -0.724975678 -0.542659220 0.182316459 2 1: GGA PBEGcGxHEG 0 3 Ex -0.098641580 -0.214131025 0.115489445 2 @@ -3032,9 +2998,11 @@ 1: GGA AM05 0 3 Ex -0.089010891 -0.273182397 0.184171507 2 1: GGA AM05 0 3 Ec 0.015963986 0.016997315 0.001033329 2 1: GGA AM05 0 4 Ex -0.027597291 0.425603536 0.453200827 2 +7: 1 5.800 0.000710460 -0.244007114 -0.244007114 -0.000000000 1: GGA AM05 0 4 Ec 0.004949538 0.002408754 0.002540783 2 1: GGA PW86 0 1 Ex -0.736905836 -1.016341060 0.279435225 2 1: GGA PW86 0 2 Ex -0.768678857 -0.489243633 0.279435224 2 +6: 2 3.000 0.010306678 -0.661632866 -0.661632864 -0.000000002 1: GGA PW86 0 3 Ex -0.107653465 -0.283308389 0.175654925 2 1: GGA PW86 0 4 Ex -0.033377309 0.400169142 0.433546450 2 1: GGA B88 0 1 Ex -0.594800150 -1.063611822 0.468811672 2 @@ -3058,6 +3026,7 @@ 1: GGA PW91 0 1 Ex -1.249232844 -2.117297756 0.868064912 2 1: GGA PW91 0 2 Ex -1.000543103 -0.132478208 0.868064895 2 1: GGA PW91 0 3 Ex -0.076828870 2.425850604 2.502679474 2 +6: 2 3.200 0.008826792 -0.632223061 -0.632223060 -0.000000001 1: GGA PW91 0 4 Ex -0.039842937 -2.156619452 2.116776515 2 1: GGA PBE 0 1 Ex -1.233968158 -2.080155118 0.846186960 2 1: GGA PBE 0 2 Ex -1.012031596 -0.165844653 0.846186943 2 @@ -3068,6 +3037,7 @@ 1: GGA RPBE 0 3 Ex -0.129464783 2.808067076 2.937531859 2 1: GGA RPBE 0 4 Ex -0.067139569 -2.758283138 2.691143569 2 1: GGA revPBE 0 1 Ex -1.156330714 -2.607808325 1.451477610 2 +7: 1 6.000 0.000528944 -0.223883655 -0.223883654 -0.000000000 1: GGA revPBE 0 2 Ex -0.922114244 0.529363349 1.451477592 2 1: GGA revPBE 0 3 Ex -0.072357576 3.872312009 3.944669585 2 1: GGA revPBE 0 4 Ex -0.037524154 -3.114121765 3.076597611 2 @@ -3080,6 +3050,7 @@ 1: GGA LYP 0 4 Ex -0.000051783 -3.324963436 3.324911653 2 1: GGA LYP 0 4 Ec -0.034429718 0.266117169 0.300546887 2 1: GGA WC 0 1 Ex -1.108342441 -2.146517243 1.038174802 2 +6: 2 3.400 0.007484177 -0.602259891 -0.602259893 0.000000001 1: GGA WC 0 2 Ex -0.971589046 0.066585740 1.038174786 2 1: GGA WC 0 3 Ex -0.042247858 2.726950642 2.769198499 2 1: GGA WC 0 4 Ex -0.021909456 -2.121720947 2.099811491 2 @@ -3093,6 +3064,7 @@ 1: GGA PBEJsJrHEG 0 4 Ex -0.023499158 -1.430380128 1.406880970 2 1: GGA PBEGcGxLO 0 1 Ex -1.077495636 -2.029160134 0.951664498 2 1: GGA PBEGcGxLO 0 2 Ex -0.960126177 -0.008461694 0.951664482 2 +6: 2 3.600 0.006282640 -0.571876952 -0.571876952 0.000000000 1: GGA PBEGcGxLO 0 3 Ex -0.036259489 2.509388287 2.545647776 2 1: GGA PBEGcGxLO 0 4 Ex -0.018803928 -1.957532033 1.938728105 2 1: GGA PBEGcGxHEG 0 1 Ex -1.130263047 -1.745046390 0.614783343 2 @@ -3100,6 +3072,7 @@ 1: GGA PBEGcGxHEG 0 3 Ex -0.038184415 1.682674296 1.720858712 2 1: GGA PBEGcGxHEG 0 4 Ex -0.019802182 -1.419459395 1.399657213 2 1: GGA PBESOL 0 1 Ex -1.077495636 -2.029160134 0.951664498 2 +7: 1 6.200 0.000389881 -0.206110012 -0.206110014 0.000000001 1: GGA PBESOL 0 2 Ex -0.960126177 -0.008461694 0.951664482 2 1: GGA PBESOL 0 3 Ex -0.036259489 2.509388287 2.545647776 2 1: GGA PBESOL 0 4 Ex -0.018803928 -1.957532033 1.938728105 2 @@ -3113,6 +3086,7 @@ 1: GGA AM05 0 4 Ec 0.000133812 0.016245151 0.016111339 2 1: GGA PW86 0 1 Ex -1.172689095 -2.248001076 1.075311980 2 1: GGA PW86 0 2 Ex -1.061806172 0.013505791 1.075311963 2 +6: 2 3.800 0.005221523 -0.541180002 -0.541180004 0.000000002 1: GGA PW86 0 3 Ex -0.034255574 2.829252362 2.863507936 2 1: GGA PW86 0 4 Ex -0.017764711 -2.183531903 2.165767192 2 1: GGA B88 0 1 Ex -0.926809076 -2.868552871 1.941743795 2 @@ -3136,8 +3110,10 @@ 1: GGA PW91 0 1 Ex -1.407682344 -1.533514665 0.125832321 2 1: GGA PW91 0 2 Ex -2.019646302 -1.893813968 0.125832334 2 1: GGA PW91 0 3 Ex 0.319430264 0.395100136 0.075669872 2 +6: 2 4.000 0.004296443 -0.510231603 -0.510231604 0.000000001 1: GGA PW91 0 4 Ex -0.104710151 -0.241575405 0.136865254 2 1: GGA PBE 0 1 Ex -1.278402803 -1.328185336 0.049782533 2 +7: 1 6.400 0.000284517 -0.190918393 -0.190918393 -0.000000001 1: GGA PBE 0 2 Ex -1.390664682 -1.340882135 0.049782547 2 1: GGA PBE 0 3 Ex 0.058597964 0.083846996 0.025249032 2 1: GGA PBE 0 4 Ex -0.019208580 -0.087657146 0.068448567 2 @@ -3153,6 +3129,7 @@ 1: GGA LYP 0 1 Ec -0.138640408 -0.206791798 0.068151390 2 1: GGA LYP 0 2 Ex -0.992564317 -1.030180835 0.037616518 2 1: GGA LYP 0 2 Ec -0.309507587 -0.241356197 0.068151390 2 +6: 2 4.200 0.003500077 -0.479029886 -0.479029884 -0.000000002 1: GGA LYP 0 3 Ex -0.111732282 -0.144498101 0.032765820 2 1: GGA LYP 0 3 Ec 0.089188501 0.131838835 0.042650334 2 1: GGA LYP 0 4 Ex 0.036626160 0.046592552 0.009966392 2 @@ -3169,7 +3146,9 @@ 1: GGA PBEJsJrHEG 0 2 Ex -1.249557127 -1.215235856 0.034321271 2 1: GGA PBEJsJrHEG 0 3 Ex -0.011156417 0.006255107 0.017411525 2 1: GGA PBEJsJrHEG 0 4 Ex 0.003657105 -0.043520029 0.047177134 2 +6: 2 4.400 0.002822947 -0.447492103 -0.447492104 0.000000001 1: GGA PBEGcGxLO 0 1 Ex -1.288218733 -1.312913191 0.024694458 2 +7: 1 6.600 0.000205559 -0.178797194 -0.178797196 0.000000002 1: GGA PBEGcGxLO 0 2 Ex -1.322130147 -1.297435675 0.024694472 2 1: GGA PBEGcGxLO 0 3 Ex 0.017700932 0.029340031 0.011639100 2 1: GGA PBEGcGxLO 0 4 Ex -0.005802416 -0.042457744 0.036655328 2 @@ -3187,6 +3166,7 @@ 1: GGA AM05 0 2 Ec -0.098924321 -0.101531929 0.002607608 2 1: GGA AM05 0 3 Ex -0.182755899 -0.219514694 0.036758794 2 1: GGA AM05 0 3 Ec 0.015168962 0.013806521 0.001362440 2 +6: 2 4.600 0.002254159 -0.415472518 -0.415472519 0.000000000 1: GGA AM05 0 4 Ex 0.059907905 0.103697884 0.043789980 2 1: GGA AM05 0 4 Ec -0.004972429 -0.001508809 0.003463620 2 1: GGA PW86 0 1 Ex -1.201592803 -1.241496928 0.039904125 2 @@ -3203,8 +3183,10 @@ 1: GGA C09 0 4 Ex -0.052026879 -0.081856319 0.029829440 2 1: GGA BH 0 1 Ex -1.279152537 -1.272896053 0.006256483 2 1: GGA BH 0 2 Ex -1.253774869 -1.260031338 0.006256469 2 +7: 1 6.800 0.000147033 -0.170379794 -0.170379797 0.000000004 1: GGA BH 0 3 Ex -0.013246524 -0.021403563 0.008157039 2 1: GGA BH 0 4 Ex 0.004342248 -0.002259220 0.006601468 2 +6: 2 4.800 0.001782061 -0.382860808 -0.382860807 -0.000000001 1: 1: iSpin dens gradDens 1: 1 1.252544810 6.431155415 9.716651666 11.780866778 @@ -3225,6 +3207,7 @@ 1: GGA RPBE 0 4 Ex -0.022230877 0.013543895 0.035774773 2 1: GGA revPBE 0 1 Ex -1.422612841 -1.531266949 0.108654108 2 1: GGA revPBE 0 2 Ex -1.437387674 -1.328733533 0.108654141 2 +6: 2 5.000 0.001394815 -0.349787495 -0.349787495 -0.000000000 1: GGA revPBE 0 3 Ex -0.066201102 -0.056381901 0.009819201 2 1: GGA revPBE 0 4 Ex 0.021309405 0.089481862 0.068172458 2 1: GGA LYP 0 1 Ex -1.204979732 -1.301107735 0.096128004 2 @@ -3240,10 +3223,12 @@ 1: GGA WC 0 3 Ex -0.111407898 -0.106165868 0.005242029 2 1: GGA WC 0 4 Ex 0.035860973 0.082557961 0.046696988 2 1: GGA PBEJsJrLO 0 1 Ex -1.381528141 -1.456638369 0.075110228 2 +7: 1 7.000 0.000104122 -0.165839032 -0.165839041 0.000000009 1: GGA PBEJsJrLO 0 2 Ex -1.409247370 -1.334137109 0.075110260 2 1: GGA PBEJsJrLO 0 3 Ex -0.124200617 -0.118438831 0.005761786 2 1: GGA PBEJsJrLO 0 4 Ex 0.039978809 0.083917461 0.043938653 2 1: GGA PBEJsJrHEG 0 1 Ex -1.387487683 -1.462223934 0.074736250 2 +6: 2 5.200 0.001080853 -0.316870200 -0.316870199 -0.000000001 1: GGA PBEJsJrHEG 0 2 Ex -1.414817048 -1.340080766 0.074736281 2 1: GGA PBEJsJrHEG 0 3 Ex -0.122453766 -0.121133576 0.001320190 2 1: GGA PBEJsJrHEG 0 4 Ex 0.039416517 0.069426990 0.030010473 2 @@ -3259,6 +3244,7 @@ 1: GGA PBESOL 0 2 Ex -1.386140342 -1.325603717 0.060536625 2 1: GGA PBESOL 0 3 Ex -0.158396923 -0.150928713 0.007468210 2 1: GGA PBESOL 0 4 Ex 0.050986222 0.095173857 0.044187635 2 +6: 2 5.400 0.000829225 -0.285306984 -0.285306983 -0.000000001 1: GGA AM05 0 1 Ex -1.167661692 -1.168621749 0.000960057 2 1: GGA AM05 0 1 Ec -0.092594513 -0.086579609 0.006014904 2 1: GGA AM05 0 2 Ex -1.244261450 -1.243301394 0.000960056 2 @@ -3271,6 +3257,7 @@ 1: GGA PW86 0 2 Ex -1.356570353 -1.207612194 0.148958160 2 1: GGA PW86 0 3 Ex -0.096991359 -0.091387946 0.005603413 2 1: GGA PW86 0 4 Ex 0.031220449 0.100268239 0.069047790 2 +7: 1 7.200 0.000072999 -0.163810071 -0.163810083 0.000000013 1: GGA B88 0 1 Ex -1.203655002 -1.299689060 0.096034058 2 1: GGA B88 0 2 Ex -1.262300015 -1.166265925 0.096034090 2 1: GGA B88 0 3 Ex -0.262768744 -0.238485802 0.024282942 2 @@ -3279,6 +3266,7 @@ 1: GGA C09 0 2 Ex -1.247263681 -1.213055782 0.034207899 2 1: GGA C09 0 3 Ex -0.314593073 -0.289097846 0.025495226 2 1: GGA C09 0 4 Ex 0.101264040 0.192328023 0.091063983 2 +6: 2 5.600 0.000629844 -0.256619554 -0.256619554 -0.000000000 1: GGA BH 0 1 Ex -1.386987740 -1.432811966 0.045824226 2 1: GGA BH 0 2 Ex -1.416686997 -1.370862739 0.045824258 2 1: GGA BH 0 3 Ex -0.133072465 -0.120796047 0.012276419 2 @@ -3302,39 +3290,9 @@ 1: GGA RPBE 0 3 Ex 0.010987440 -0.164035397 0.175022836 2 1: GGA RPBE 0 4 Ex 0.014226546 0.138768085 0.124541539 2 1: GGA revPBE 0 1 Ex -0.984112497 -0.967148887 0.016963610 2 -7: 1 10.600 0.000000037 -0.023372816 -0.023374651 0.000001835 -4/9 Test #5: libgridxc_test6 .................. Passed 0.07 sec -7: 1 10.800 0.000000022 -0.021841709 -0.021843441 0.000001732 -7: 1 11.000 0.000000013 -0.020471625 -0.020473264 0.000001639 -7: 1 11.200 0.000000007 -0.019241059 -0.019242615 0.000001555 -7: 1 11.400 0.000000004 -0.018132612 -0.018133938 0.000001326 -7: 1 11.600 0.000000002 -0.017131679 -0.017133117 0.000001438 -7: 1 11.800 0.000000001 -0.016225680 -0.016226768 0.000001088 -7: iSpin r dens Vxc dExc/dDens diff -7: 2 0.000 0.031746818 -0.900701729 -7: 2 0.200 0.031588480 -0.903820205 -0.903820992 0.000000786 -7: 2 0.400 0.031118189 -0.913175632 -0.913175464 -0.000000169 -7: 2 0.600 0.030349878 -0.898888840 -0.898888886 0.000000046 -7: 2 0.800 0.029306007 -0.900387339 -0.900387377 0.000000037 -7: 2 1.000 0.028016469 -0.881655824 -0.881655827 0.000000003 -7: 2 1.200 0.026517171 -0.869787130 -0.869787142 0.000000012 -7: 2 1.400 0.024848378 -0.849409711 -0.849409699 -0.000000011 -7: 2 1.600 0.023052921 -0.829194760 -0.829194754 -0.000000005 -7: 2 1.800 0.021174391 -0.806916840 -0.806916848 0.000000008 -7: 2 2.000 0.019255418 -0.783153757 -0.783153757 0.000000000 -7: 2 2.200 0.017336125 -0.757597743 -0.757597741 -0.000000002 -7: 2 2.400 0.015452834 -0.730277351 -0.730277356 0.000000005 -7: 2 2.600 0.013637077 -0.701421448 -0.701421447 -0.000000001 -7: 2 2.800 0.011914930 -0.671294327 -0.671294320 -0.000000006 -7: 2 3.000 0.010306678 -0.640127830 -0.640127832 0.000000002 -7: 2 3.200 0.008826792 -0.608140908 -0.608140901 -0.000000007 -7: 2 3.400 0.007484177 -0.575559240 -0.575559244 0.000000003 -7: 2 3.600 0.006282640 -0.542620903 -0.542620904 0.000000001 -7: 2 3.800 0.005221523 -0.509578436 -0.509578437 0.000000001 -7: 2 4.000 0.004296443 -0.476699712 -0.476699714 0.000000001 -7: 2 4.200 0.003500077 -0.444266875 -0.444266874 -0.000000001 1: GGA revPBE 0 2 Ex -1.246396681 -1.263360294 0.016963613 2 1: GGA revPBE 0 3 Ex 0.033076085 -0.146539047 0.179615133 2 +6: 2 5.800 0.000473640 -0.232083909 -0.232083908 -0.000000001 1: GGA revPBE 0 4 Ex 0.042826942 0.129602245 0.086775303 2 1: GGA LYP 0 1 Ex -0.779783959 -0.748039249 0.031744710 2 1: GGA LYP 0 1 Ec -0.181712704 -0.194836074 0.013123371 2 @@ -3344,6 +3302,7 @@ 1: GGA LYP 0 3 Ec -0.019915798 -0.074878742 0.054962944 2 1: GGA LYP 0 4 Ex 0.080594602 0.117293800 0.036699199 2 1: GGA LYP 0 4 Ec -0.025786992 0.056847564 0.082634556 2 +7: 1 7.400 0.000050669 -0.160866313 -0.160866326 0.000000012 1: GGA WC 0 1 Ex -0.940464768 -0.927285696 0.013179072 2 1: GGA WC 0 2 Ex -1.315628258 -1.328807334 0.013179076 2 1: GGA WC 0 3 Ex 0.047311048 -0.071965652 0.119276699 2 @@ -3353,6 +3312,7 @@ 1: GGA PBEJsJrLO 0 3 Ex 0.042158692 -0.078805644 0.120964336 2 1: GGA PBEJsJrLO 0 4 Ex 0.054587109 0.116981404 0.062394296 2 1: GGA PBEJsJrHEG 0 1 Ex -0.987278672 -0.984225879 0.003052793 2 +6: 2 6.000 0.000352629 -0.212182116 -0.212182116 0.000000000 1: GGA PBEJsJrHEG 0 2 Ex -1.304686216 -1.307739013 0.003052796 2 1: GGA PBEJsJrHEG 0 3 Ex 0.040027572 -0.064667832 0.104695404 2 1: GGA PBEJsJrHEG 0 4 Ex 0.051827732 0.123337932 0.071510200 2 @@ -3362,10 +3322,12 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.063360764 0.106939028 0.043578265 2 1: GGA PBEGcGxHEG 0 1 Ex -0.953552847 -0.948259063 0.005293784 2 1: GGA PBEGcGxHEG 0 2 Ex -1.311391659 -1.316685447 0.005293788 2 +6: 2 6.200 0.000259921 -0.196433380 -0.196433381 0.000000000 1: GGA PBEGcGxHEG 0 3 Ex 0.045126271 -0.047441384 0.092567654 2 1: GGA PBEGcGxHEG 0 4 Ex 0.058429532 0.113711002 0.055281471 2 1: GGA PBESOL 0 1 Ex -0.911787315 -0.899285730 0.012501585 2 1: GGA PBESOL 0 2 Ex -1.299826372 -1.312327961 0.012501589 2 +7: 1 7.600 0.000034818 -0.153027998 -0.153027990 -0.000000007 1: GGA PBESOL 0 3 Ex 0.048934757 -0.057057505 0.105992262 2 1: GGA PBESOL 0 4 Ex 0.063360764 0.106939028 0.043578265 2 1: GGA AM05 0 1 Ex -0.707972436 -0.682364237 0.025608198 2 @@ -3376,6 +3338,7 @@ 1: GGA AM05 0 3 Ec -0.006773221 -0.003119530 0.003653691 2 1: GGA AM05 0 4 Ex 0.099544736 0.070291481 0.029253255 2 1: GGA AM05 0 4 Ec -0.008769972 -0.012438671 0.003668699 2 +6: 2 6.400 0.000189678 -0.183672030 -0.183672031 0.000000000 1: GGA PW86 0 1 Ex -0.982166903 -0.974581686 0.007585216 2 1: GGA PW86 0 2 Ex -1.242047059 -1.249632280 0.007585221 2 1: GGA PW86 0 3 Ex 0.032772919 -0.154931630 0.187704549 2 @@ -3399,6 +3362,8 @@ 1: 3 -0.207260950 2.465531483 3.377156394 1.413858513 1: 4 0.068828320 0.026894985 -3.771350459 -1.197511767 1: GGA PW91 0 1 Ex -1.402224181 -1.439829069 0.037604888 2 +6: 2 6.600 0.000137039 -0.172541723 -0.172541726 0.000000003 +7: 1 7.800 0.000023687 -0.138670726 -0.138670683 -0.000000044 1: GGA PW91 0 2 Ex -1.128577191 -1.090972300 0.037604890 2 1: GGA PW91 0 3 Ex -0.239775876 -0.236681336 0.003094540 2 1: GGA PW91 0 4 Ex 0.079626050 0.024327135 0.055298915 2 @@ -3414,6 +3379,7 @@ 1: GGA revPBE 0 2 Ex -0.960585501 -0.777744644 0.182840857 2 1: GGA revPBE 0 3 Ex -0.094863655 -0.060014368 0.034849288 2 1: GGA revPBE 0 4 Ex 0.031502828 -0.177736538 0.209239366 2 +6: 2 6.800 0.000098022 -0.161917868 -0.161917872 0.000000004 1: GGA LYP 0 1 Ex -0.732564281 -0.991856574 0.259292293 2 1: GGA LYP 0 1 Ec 0.180890555 0.108665260 0.072225296 2 1: GGA LYP 0 2 Ex -0.864679810 -0.605387517 0.259292293 2 @@ -3431,9 +3397,11 @@ 1: GGA PBEJsJrLO 0 3 Ex -0.000427064 0.022427817 0.022854880 2 1: GGA PBEJsJrLO 0 4 Ex 0.000141822 -0.137474515 0.137616336 2 1: GGA PBEJsJrHEG 0 1 Ex -0.921645225 -1.010553070 0.088907846 2 +7: 1 8.000 0.000015954 -0.119748941 -0.119748847 -0.000000094 1: GGA PBEJsJrHEG 0 2 Ex -0.979655335 -0.890747487 0.088907849 2 1: GGA PBEJsJrHEG 0 3 Ex 0.050829812 0.067596344 0.016766532 2 1: GGA PBEJsJrHEG 0 4 Ex -0.016879835 -0.119163830 0.102283995 2 +6: 2 7.000 0.000069415 -0.151110560 -0.151110563 0.000000003 1: GGA PBEGcGxLO 0 1 Ex -0.937557254 -1.051002010 0.113444756 2 1: GGA PBEGcGxLO 0 2 Ex -0.949054204 -0.835609444 0.113444760 2 1: GGA PBEGcGxLO 0 3 Ex 0.010073896 0.031792853 0.021718957 2 @@ -3450,6 +3418,7 @@ 1: GGA AM05 0 1 Ec -0.089200694 -0.088169924 0.001030771 2 1: GGA AM05 0 2 Ex -0.824368332 -0.668193195 0.156175137 2 1: GGA AM05 0 2 Ec -0.062151957 -0.063182728 0.001030771 2 +6: 2 7.200 0.000048666 -0.139861549 -0.139861554 0.000000005 1: GGA AM05 0 3 Ex 0.150894706 0.183493603 0.032598897 2 1: GGA AM05 0 3 Ec -0.023700735 -0.023892933 0.000192198 2 1: GGA AM05 0 4 Ex -0.050109917 -0.220305466 0.170195549 2 @@ -3462,11 +3431,13 @@ 1: GGA B88 0 2 Ex -0.864148851 -0.604927291 0.259221560 2 1: GGA B88 0 3 Ex 0.115575980 0.169014853 0.053438873 2 1: GGA B88 0 4 Ex -0.038381087 -0.322889049 0.284507962 2 +7: 1 8.200 0.000010638 -0.100010797 -0.100010654 -0.000000143 1: GGA C09 0 1 Ex -1.071018259 -1.208203656 0.137185397 2 1: GGA C09 0 2 Ex -0.952629317 -0.815443915 0.137185402 2 1: GGA C09 0 3 Ex -0.103735152 -0.077233567 0.026501585 2 1: GGA C09 0 4 Ex 0.034448922 -0.121476725 0.155925647 2 1: GGA BH 0 1 Ex -0.867749469 -1.053969521 0.186220052 2 +6: 2 7.400 0.000033779 -0.128226737 -0.128226743 0.000000006 1: GGA BH 0 2 Ex -0.836725068 -0.650505011 0.186220056 2 1: GGA BH 0 3 Ex -0.027184304 0.009391897 0.036576202 2 1: GGA BH 0 4 Ex 0.009027509 -0.200818216 0.209845725 2 @@ -3489,6 +3460,7 @@ 1: GGA RPBE 0 3 Ex 0.037065714 1.038041819 1.000976104 2 1: GGA RPBE 0 4 Ex 0.133073495 -0.004338781 0.137412277 2 1: GGA revPBE 0 1 Ex -0.751986920 -1.130176875 0.378189955 2 +6: 2 7.600 0.000023212 -0.116433222 -0.116433229 0.000000007 1: GGA revPBE 0 2 Ex -0.829476219 -0.451286236 0.378189984 2 1: GGA revPBE 0 3 Ex 0.024205453 0.634040534 0.609835082 2 1: GGA revPBE 0 4 Ex 0.086902527 0.085654104 0.001248423 2 @@ -3500,6 +3472,7 @@ 1: GGA LYP 0 3 Ec 0.020820093 -0.340083789 0.360903882 2 1: GGA LYP 0 4 Ex 0.022688838 0.193284901 0.170596063 2 1: GGA LYP 0 4 Ec 0.074748392 0.141963017 0.067214624 2 +7: 1 8.400 0.000007022 -0.082462504 -0.082462335 -0.000000169 1: GGA WC 0 1 Ex -0.717853524 -1.005039280 0.287185757 2 1: GGA WC 0 2 Ex -0.789841044 -0.502655262 0.287185782 2 1: GGA WC 0 3 Ex 0.022486854 0.583822653 0.561335799 2 @@ -3509,6 +3482,7 @@ 1: GGA PBEJsJrLO 0 3 Ex 0.017739188 0.426303044 0.408563856 2 1: GGA PBEJsJrLO 0 4 Ex 0.063687314 0.058562156 0.005125158 2 1: GGA PBEJsJrHEG 0 1 Ex -0.776532292 -0.935347373 0.158815081 2 +6: 2 7.800 0.000015792 -0.104762753 -0.104762763 0.000000009 1: GGA PBEJsJrHEG 0 2 Ex -0.824659394 -0.665844290 0.158815104 2 1: GGA PBEJsJrHEG 0 3 Ex 0.015033538 0.333375443 0.318341905 2 1: GGA PBEJsJrHEG 0 4 Ex 0.053973476 0.036110125 0.017863352 2 @@ -3524,6 +3498,7 @@ 1: GGA PBESOL 0 2 Ex -0.762024662 -0.518507935 0.243516726 2 1: GGA PBESOL 0 3 Ex 0.015986743 0.374439221 0.358452477 2 1: GGA PBESOL 0 4 Ex 0.057395679 0.066123502 0.008727824 2 +6: 2 8.000 0.000010636 -0.093477793 -0.093477805 0.000000012 1: GGA AM05 0 1 Ex -0.567787672 -0.836588947 0.268801276 2 1: GGA AM05 0 1 Ec -0.060783836 -0.059246931 0.001536905 2 1: GGA AM05 0 2 Ex -0.578596826 -0.309795550 0.268801276 2 @@ -3532,6 +3507,7 @@ 1: GGA AM05 0 3 Ec -0.000780709 -0.005361719 0.004581010 2 1: GGA AM05 0 4 Ex 0.012122226 0.135538238 0.123416012 2 1: GGA AM05 0 4 Ec -0.002802904 -0.002212144 0.000590760 2 +7: 1 8.600 0.000004589 -0.068350286 -0.068350135 -0.000000151 1: GGA PW86 0 1 Ex -0.784199936 -1.036878405 0.252678469 2 1: GGA PW86 0 2 Ex -0.821735965 -0.569057469 0.252678496 2 1: GGA PW86 0 3 Ex 0.011725188 0.222384114 0.210658926 2 @@ -3544,6 +3520,7 @@ 1: GGA C09 0 2 Ex -0.550370017 -0.128732311 0.421637707 2 1: GGA C09 0 3 Ex 0.007647072 0.128888156 0.121241084 2 1: GGA C09 0 4 Ex 0.027454553 0.181667725 0.154213172 2 +6: 2 8.200 0.000007092 -0.082785576 -0.082785590 0.000000014 1: GGA BH 0 1 Ex -0.666598018 -1.059622484 0.393024467 2 1: GGA BH 0 2 Ex -0.765553180 -0.372528687 0.393024494 2 1: GGA BH 0 3 Ex 0.030910778 0.889592107 0.858681329 2 @@ -3568,8 +3545,10 @@ 1: GGA RPBE 0 4 Ex 0.045394946 -0.306637387 0.352032333 2 1: GGA revPBE 0 1 Ex -0.998181046 -0.510290783 0.487890264 2 1: GGA revPBE 0 2 Ex -1.085965554 -1.573855812 0.487890258 2 +6: 2 8.400 0.000004681 -0.072828254 -0.072828270 0.000000016 1: GGA revPBE 0 3 Ex -0.075007335 -0.156810497 0.081803162 2 1: GGA revPBE 0 4 Ex 0.073173634 -0.303334119 0.376507752 2 +7: 1 8.800 0.000002969 -0.057583471 -0.057583442 -0.000000030 1: GGA LYP 0 1 Ex -0.941623550 -0.441398812 0.500224738 2 1: GGA LYP 0 1 Ec -0.092978309 -0.128920935 0.035942626 2 1: GGA LYP 0 2 Ex -1.070658915 -1.570883652 0.500224737 2 @@ -3594,6 +3573,7 @@ 1: GGA PBEGcGxLO 0 2 Ex -1.107546658 -1.407399657 0.299852999 2 1: GGA PBEGcGxLO 0 3 Ex -0.092532715 -0.143009838 0.050477123 2 1: GGA PBEGcGxLO 0 4 Ex 0.090270571 -0.141334417 0.231604988 2 +6: 2 8.600 0.000003059 -0.063687629 -0.063687643 0.000000014 1: GGA PBEGcGxHEG 0 1 Ex -1.041600363 -0.808071349 0.233529014 2 1: GGA PBEGcGxHEG 0 2 Ex -1.128609765 -1.362138775 0.233529010 2 1: GGA PBEGcGxHEG 0 3 Ex -0.074345048 -0.113194996 0.038849949 2 @@ -3607,6 +3587,7 @@ 1: GGA AM05 0 2 Ex -1.084657903 -1.324589002 0.239931099 2 1: GGA AM05 0 2 Ec -0.075675901 -0.066227623 0.009448278 2 1: GGA AM05 0 3 Ex -0.146012417 -0.187714448 0.041702030 2 +7: 1 9.000 0.000001902 -0.049506694 -0.049507028 0.000000334 1: GGA AM05 0 3 Ec 0.007404464 0.008861097 0.001456633 2 1: GGA AM05 0 4 Ex 0.142442857 -0.044223762 0.186666619 2 1: GGA AM05 0 4 Ec -0.007223447 -0.000062885 0.007160563 2 @@ -3614,6 +3595,7 @@ 1: GGA PW86 0 2 Ex -1.091774066 -1.522594429 0.430820362 2 1: GGA PW86 0 3 Ex -0.027945857 -0.098358172 0.070412315 2 1: GGA PW86 0 4 Ex 0.027262666 -0.303336155 0.330598820 2 +6: 2 8.800 0.000001979 -0.055396187 -0.055396188 0.000000002 1: GGA B88 0 1 Ex -0.940971404 -0.440939489 0.500031915 2 1: GGA B88 0 2 Ex -1.069808879 -1.569840788 0.500031910 2 1: GGA B88 0 3 Ex -0.110084979 -0.194347586 0.084262607 2 @@ -3636,6 +3618,7 @@ 1: GGA PW91 0 2 Ex -0.104729009 -0.046547718 0.058181291 2 1: GGA PW91 0 3 Ex -0.119715156 -0.061807465 0.057907692 2 1: GGA PW91 0 4 Ex 0.062079649 0.137271647 0.075191998 2 +6: 2 9.000 0.000001268 -0.047949450 -0.047949418 -0.000000032 1: GGA PBE 0 1 Ex -0.167031628 -0.157046647 0.009984982 2 1: GGA PBE 0 2 Ex -0.150710277 -0.160695264 0.009984987 2 1: GGA PBE 0 3 Ex -0.025100330 -0.035047466 0.009947137 2 @@ -3645,6 +3628,7 @@ 1: GGA RPBE 0 3 Ex -0.037013603 -0.037199774 0.000186171 2 1: GGA RPBE 0 4 Ex 0.019193823 0.018951939 0.000241883 2 1: GGA revPBE 0 1 Ex -0.190696316 -0.169302955 0.021393361 2 +7: 1 9.200 0.000001206 -0.043402831 -0.043404135 0.000001304 1: GGA revPBE 0 2 Ex -0.177774476 -0.199167842 0.021393367 2 1: GGA revPBE 0 3 Ex -0.019872279 -0.041183875 0.021311596 2 1: GGA revPBE 0 4 Ex 0.010304995 -0.017379564 0.027684559 2 @@ -3653,6 +3637,7 @@ 1: GGA LYP 0 2 Ex -0.173487316 -0.222741772 0.049254456 2 1: GGA LYP 0 2 Ec -0.374899930 -0.571661880 0.196761950 2 1: GGA LYP 0 3 Ex 0.033765737 0.011419417 0.022346320 2 +6: 2 9.200 0.000000804 -0.041317198 -0.041317116 -0.000000082 1: GGA LYP 0 3 Ec 0.158320594 -0.094483352 0.252803946 2 1: GGA LYP 0 4 Ex -0.017509605 -0.029721469 0.012211864 2 1: GGA LYP 0 4 Ec -0.082098936 -0.446245375 0.364146439 2 @@ -3672,6 +3657,7 @@ 1: GGA PBEGcGxLO 0 2 Ex -0.144861169 -0.160022196 0.015161027 2 1: GGA PBEGcGxLO 0 3 Ex -0.018315802 -0.033418671 0.015102868 2 1: GGA PBEGcGxLO 0 4 Ex 0.009497866 -0.010121193 0.019619059 2 +6: 2 9.400 0.000000504 -0.035452601 -0.035452511 -0.000000090 1: GGA PBEGcGxHEG 0 1 Ex -0.144666066 -0.136674101 0.007991965 2 1: GGA PBEGcGxHEG 0 2 Ex -0.130206015 -0.138197985 0.007991970 2 1: GGA PBEGcGxHEG 0 3 Ex -0.022237867 -0.030199441 0.007961574 2 @@ -3682,6 +3668,7 @@ 1: GGA PBESOL 0 4 Ex 0.009497866 -0.010121193 0.019619059 2 1: GGA AM05 0 1 Ex -0.128641983 -0.092581176 0.036060807 2 1: GGA AM05 0 1 Ec -0.024816457 -0.024883124 0.000066667 2 +7: 1 9.400 0.000000757 -0.038686660 -0.038688834 0.000002175 1: GGA AM05 0 2 Ex -0.147256218 -0.183317026 0.036060807 2 1: GGA AM05 0 2 Ec -0.030807934 -0.030741267 0.000066667 2 1: GGA AM05 0 3 Ex 0.028626518 0.009053032 0.019573485 2 @@ -3691,6 +3678,7 @@ 1: GGA PW86 0 1 Ex -0.179518604 -0.147688255 0.031830349 2 1: GGA PW86 0 2 Ex -0.193885993 -0.225716346 0.031830353 2 1: GGA PW86 0 3 Ex 0.022095363 -0.005264613 0.027359976 2 +6: 2 9.600 0.000000313 -0.030299188 -0.030299097 -0.000000090 1: GGA PW86 0 4 Ex -0.011457800 -0.044262475 0.032804674 2 1: GGA B88 0 1 Ex -0.151530586 -0.102276531 0.049254055 2 1: GGA B88 0 2 Ex -0.173486459 -0.222740513 0.049254054 2 @@ -3712,6 +3700,7 @@ 1: 4 0.072545748 0.263810346 -0.227813914 0.517457544 1: GGA PW91 0 1 Ex -0.478763318 -0.534072129 0.055308810 2 1: GGA PW91 0 2 Ex -0.190791166 -0.135482385 0.055308781 2 +6: 2 9.800 0.000000193 -0.025795893 -0.025795812 -0.000000082 1: GGA PW91 0 3 Ex -0.171427217 -0.122514952 0.048912265 2 1: GGA PW91 0 4 Ex -0.247213366 -0.248917139 0.001703773 2 1: GGA PBE 0 1 Ex -0.583905439 -0.641612294 0.057706855 2 @@ -3734,6 +3723,7 @@ 1: GGA LYP 0 3 Ec 0.300459630 0.341331104 0.040871474 2 1: GGA LYP 0 4 Ex 0.166224097 0.167073009 0.000848912 2 1: GGA LYP 0 4 Ec 0.433289636 0.425732179 0.007557457 2 +6: 2 10.000 0.000000117 -0.021880577 -0.021880500 -0.000000077 1: GGA WC 0 1 Ex -0.606408062 -0.647334587 0.040926525 2 1: GGA WC 0 2 Ex -0.479682946 -0.438756450 0.040926496 2 1: GGA WC 0 3 Ex -0.075438315 -0.039245482 0.036192833 2 @@ -3742,6 +3732,7 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.473677016 -0.428809256 0.044867760 2 1: GGA PBEJsJrLO 0 3 Ex -0.069991106 -0.030312857 0.039678249 2 1: GGA PBEJsJrLO 0 4 Ex -0.100933429 -0.102315213 0.001381784 2 +7: 1 9.600 0.000000470 -0.034934582 -0.034936830 0.000002248 1: GGA PBEJsJrHEG 0 1 Ex -0.583517865 -0.623239237 0.039721372 2 1: GGA PBEJsJrHEG 0 2 Ex -0.437239686 -0.397518342 0.039721343 2 1: GGA PBEJsJrHEG 0 3 Ex -0.087078077 -0.051950980 0.035127097 2 @@ -3751,6 +3742,7 @@ 1: GGA PBEGcGxLO 0 3 Ex -0.071661699 -0.037587282 0.034074417 2 1: GGA PBEGcGxLO 0 4 Ex -0.103342573 -0.104529197 0.001186624 2 1: GGA PBEGcGxHEG 0 1 Ex -0.586068004 -0.620846223 0.034778219 2 +6: 2 10.200 0.000000071 -0.018492378 -0.018492313 -0.000000065 1: GGA PBEGcGxHEG 0 2 Ex -0.438247040 -0.403468849 0.034778191 2 1: GGA PBEGcGxHEG 0 3 Ex -0.087996483 -0.057240807 0.030755676 2 1: GGA PBEGcGxHEG 0 4 Ex -0.126898792 -0.127969855 0.001071063 2 @@ -3769,6 +3761,7 @@ 1: GGA PW86 0 1 Ex -0.747244979 -0.814112755 0.066867776 2 1: GGA PW86 0 2 Ex -0.883080098 -0.816212351 0.066867747 2 1: GGA PW86 0 3 Ex 0.080861418 0.139541275 0.058679858 2 +6: 2 10.400 0.000000042 -0.015573224 -0.015573163 -0.000000061 1: GGA PW86 0 4 Ex 0.116609390 0.114864758 0.001744632 2 1: GGA B88 0 1 Ex -0.791282761 -0.865886950 0.074604190 2 1: GGA B88 0 2 Ex -0.984964014 -0.910359845 0.074604169 2 @@ -3791,6 +3784,7 @@ 1: GGA PW91 0 1 Ex -1.108364608 13.114043405 14.222408013 2 1: GGA PW91 0 2 Ex -1.092100393 -15.314508417 14.222408025 2 1: GGA PW91 0 3 Ex -0.014576726 -11.210779861 11.196203135 2 +6: 2 10.600 0.000000025 -0.013068736 -0.013068683 -0.000000052 1: GGA PW91 0 4 Ex 0.006005190 -7.911449760 7.917454950 2 1: GGA PBE 0 1 Ex -1.098753583 13.298580789 14.397334372 2 1: GGA PBE 0 2 Ex -1.086754498 -15.484088881 14.397334383 2 @@ -3802,12 +3796,14 @@ 1: GGA RPBE 0 4 Ex 0.017148961 -10.406908408 10.424057369 2 1: GGA revPBE 0 1 Ex -1.066484845 16.712327035 17.778811880 2 1: GGA revPBE 0 2 Ex -1.025892051 -18.804703943 17.778811892 2 +7: 1 9.800 0.000000289 -0.031858263 -0.031860487 0.000002224 1: GGA revPBE 0 3 Ex -0.036381099 -14.024934009 13.988552910 2 1: GGA revPBE 0 4 Ex 0.014987962 -9.864479467 9.879467429 2 1: GGA LYP 0 1 Ex -1.098941871 14.220905938 15.319847809 2 1: GGA LYP 0 1 Ec -0.056241871 -0.753258140 0.697016269 2 1: GGA LYP 0 2 Ex -1.070703413 -16.390551222 15.319847810 2 1: GGA LYP 0 2 Ec -0.084843641 0.612172628 0.697016269 2 +6: 2 10.800 0.000000015 -0.010928714 -0.010928698 -0.000000016 1: GGA LYP 0 3 Ex -0.025308585 -12.082056597 12.056748012 2 1: GGA LYP 0 3 Ec 0.025634201 0.572903610 0.547269410 2 1: GGA LYP 0 4 Ex 0.010426406 -8.509746835 8.520173240 2 @@ -3826,6 +3822,7 @@ 1: GGA PBEJsJrHEG 0 4 Ex 0.003609773 -5.510863602 5.514473375 2 1: GGA PBEGcGxLO 0 1 Ex -1.117479208 9.438018790 10.555497998 2 1: GGA PBEGcGxLO 0 2 Ex -1.087120420 -11.642618428 10.555498008 2 +6: 2 11.000 0.000000008 -0.009107337 -0.009107277 -0.000000060 1: GGA PBEGcGxLO 0 3 Ex -0.027208920 -8.331125923 8.303917003 2 1: GGA PBEGcGxLO 0 4 Ex 0.011209289 -5.851297423 5.862506712 2 1: GGA PBEGcGxHEG 0 1 Ex -1.132434688 7.852884623 8.985319311 2 @@ -3844,6 +3841,7 @@ 1: GGA AM05 0 3 Ec -0.002458762 0.229753256 0.232212018 2 1: GGA AM05 0 4 Ex 0.018551072 -3.686168224 3.704719295 2 1: GGA AM05 0 4 Ec 0.001012939 0.167625817 0.166612878 2 +6: 2 11.200 0.000000005 -0.007563161 -0.007563144 -0.000000017 1: GGA PW86 0 1 Ex -1.090161563 13.750720159 14.840881722 2 1: GGA PW86 0 2 Ex -1.123295015 -15.964176749 14.840881734 2 1: GGA PW86 0 3 Ex 0.029695699 -11.669937022 11.699632721 2 @@ -3864,10 +3862,12 @@ 1: iSpin dens gradDens 1: 1 0.622768266 3.255753912 -2.573108093 1.542722771 1: 2 0.375459765 -3.112335444 4.618094077 -0.943744718 +6: 2 11.400 0.000000003 -0.006258998 -0.006258965 -0.000000033 1: 3 -0.001401702 -1.846537398 -3.201619717 1.812643572 1: 4 -0.182643160 -3.330028770 -4.198098008 -0.494707641 1: GGA PW91 0 1 Ex -1.034562164 -0.945467255 0.089094910 2 1: GGA PW91 0 2 Ex -1.087795125 -1.176890017 0.089094892 2 +7: 1 10.000 0.000000176 -0.029267821 -0.029269964 0.000002144 1: GGA PW91 0 3 Ex -0.000301715 0.217910767 0.218212482 2 1: GGA PW91 0 4 Ex -0.039313796 0.019331114 0.058644911 2 1: GGA PBE 0 1 Ex -1.008606485 -0.917233319 0.091373166 2 @@ -3879,6 +3879,8 @@ 1: GGA RPBE 0 3 Ex -0.000848106 0.276769042 0.277617148 2 1: GGA RPBE 0 4 Ex -0.110508995 -0.032355735 0.078153260 2 1: GGA revPBE 0 1 Ex -0.965637675 -0.861016890 0.104620785 2 +6: 2 11.600 0.000000002 -0.005161710 -0.005161524 -0.000000187 +6: avgDiffVxc, maxDiffVxc = 0.000000036 0.000000268 1: GGA revPBE 0 2 Ex -0.991983538 -1.096604304 0.104620766 2 1: GGA revPBE 0 3 Ex -0.000149324 0.309768915 0.309918239 2 1: GGA revPBE 0 4 Ex -0.019457041 0.048995498 0.068452539 2 @@ -3916,6 +3918,7 @@ 1: GGA PBESOL 0 4 Ex 0.047270274 0.086727191 0.039456917 2 1: GGA AM05 0 1 Ex -0.942224629 -0.914840643 0.027383986 2 1: GGA AM05 0 1 Ec -0.065484852 -0.067268153 0.001783302 2 +3/9 Test #6: libgridxc_test_libxc ............. Passed 0.04 sec 1: GGA AM05 0 2 Ex -0.738779277 -0.766163263 0.027383986 2 1: GGA AM05 0 2 Ec -0.082282407 -0.080499105 0.001783302 2 1: GGA AM05 0 3 Ex 0.001153094 0.169580698 0.168427604 2 @@ -3945,6 +3948,7 @@ 1: 3 0.014891242 9.748457005 -7.812398560 -7.641186700 1: 4 -0.015464601 12.407807209 -0.265807188 10.555453043 1: GGA PW91 0 1 Ex -1.276790987 -0.645600898 0.631190089 2 +7: 1 10.200 0.000000106 -0.027039672 -0.027041720 0.000002048 1: GGA PW91 0 2 Ex -1.297077663 -1.928267741 0.631190077 2 1: GGA PW91 0 3 Ex -0.005257735 4.482814632 4.488072367 2 1: GGA PW91 0 4 Ex 0.005460174 3.154576294 3.149116120 2 @@ -3996,6 +4000,7 @@ 1: GGA AM05 0 1 Ec -0.083841345 -0.101375462 0.017534117 2 1: GGA AM05 0 2 Ex -1.316820967 -1.514751906 0.197930939 2 1: GGA AM05 0 2 Ec -0.083136356 -0.065602239 0.017534117 2 +7: 1 10.400 0.000000063 -0.025092806 -0.025094748 0.000001941 1: GGA AM05 0 3 Ex -0.008737523 1.821303263 1.830040786 2 1: GGA AM05 0 3 Ec 0.000182713 -0.092260979 0.092443692 2 1: GGA AM05 0 4 Ex 0.009073944 1.403569669 1.394495724 2 @@ -4059,6 +4064,7 @@ 1: GGA PBEJsJrHEG 0 3 Ex 0.051266847 -0.052909533 0.104176380 2 1: GGA PBEJsJrHEG 0 4 Ex -0.129082910 -0.171792940 0.042710029 2 1: GGA PBEGcGxLO 0 1 Ex -1.345992902 -1.342843945 0.003148956 2 +7: 1 10.600 0.000000037 -0.023372816 -0.023374651 0.000001835 1: GGA PBEGcGxLO 0 2 Ex -1.248606888 -1.251755864 0.003148976 2 1: GGA PBEGcGxLO 0 3 Ex 0.036011298 -0.063222240 0.099233537 2 1: GGA PBEGcGxLO 0 4 Ex -0.090671523 -0.131774396 0.041102873 2 @@ -4115,6 +4121,7 @@ 1: GGA revPBE 0 1 Ex -0.322511855 -0.628951409 0.306439553 2 1: GGA revPBE 0 2 Ex -0.288807757 0.017631772 0.306439529 2 1: GGA revPBE 0 3 Ex 0.059873536 0.479188699 0.419315163 2 +7: 1 10.800 0.000000022 -0.021841709 -0.021843441 0.000001732 1: GGA revPBE 0 4 Ex 0.080802046 -0.293817373 0.374619418 2 1: GGA LYP 0 1 Ex -0.219974288 -0.393697770 0.173723482 2 1: GGA LYP 0 1 Ec -0.115004296 0.062720982 0.177725278 2 @@ -4152,6 +4159,7 @@ 1: GGA AM05 0 1 Ec -0.037281962 -0.034163151 0.003118811 2 1: GGA AM05 0 2 Ex -0.187379109 -0.089842079 0.097537031 2 1: GGA AM05 0 2 Ec -0.039150121 -0.042268932 0.003118811 2 +7: 1 11.000 0.000000013 -0.020471625 -0.020473264 0.000001639 1: GGA AM05 0 3 Ex 0.010873121 0.475701809 0.464828689 2 1: GGA AM05 0 3 Ec -0.003318686 -0.006503285 0.003184600 2 1: GGA AM05 0 4 Ex 0.014673768 -0.350102095 0.364775863 2 @@ -4189,6 +4197,7 @@ 1: GGA RPBE 0 1 Ex -1.758936918 -1.788647692 0.029710774 2 1: GGA RPBE 0 2 Ex -1.767448540 -1.737737765 0.029710776 2 1: GGA RPBE 0 3 Ex -0.000120277 -0.073270947 0.073150670 2 +7: 1 11.200 0.000000007 -0.019241059 -0.019242615 0.000001555 1: GGA RPBE 0 4 Ex 0.001635385 0.073572591 0.071937206 2 1: GGA revPBE 0 1 Ex -1.750613215 -1.772003220 0.021390005 2 1: GGA revPBE 0 2 Ex -1.474369203 -1.452979198 0.021390006 2 @@ -4224,6 +4233,7 @@ 1: GGA PBEGcGxHEG 0 4 Ex -0.086196068 -0.055761701 0.030434367 2 1: GGA PBESOL 0 1 Ex -1.776929581 -1.787802782 0.010873201 2 1: GGA PBESOL 0 2 Ex -1.305907517 -1.295034315 0.010873202 2 +7: 1 11.400 0.000000004 -0.018132612 -0.018133938 0.000001326 1: GGA PBESOL 0 3 Ex 0.006655973 -0.090788856 0.097444829 2 1: GGA PBESOL 0 4 Ex -0.090500095 -0.069371202 0.021128892 2 1: GGA AM05 0 1 Ex -1.797893399 -1.786890887 0.011002511 2 @@ -4262,6 +4272,7 @@ 1: GGA PW91 0 4 Ex -0.026493938 -0.089600826 0.063106887 2 1: GGA PBE 0 1 Ex -1.025726077 -1.094031419 0.068305341 2 1: GGA PBE 0 2 Ex -1.177234310 -1.108928961 0.068305349 2 +7: 1 11.600 0.000000002 -0.017131679 -0.017133117 0.000001438 1: GGA PBE 0 3 Ex 0.102327155 0.133862985 0.031535830 2 1: GGA PBE 0 4 Ex -0.015881384 -0.138505189 0.122623805 2 1: GGA RPBE 0 1 Ex -1.041497219 -1.125866671 0.084369452 2 @@ -4297,6 +4308,7 @@ 1: GGA PBEGcGxLO 0 3 Ex 0.030621291 0.043625412 0.013004120 2 1: GGA PBEGcGxLO 0 4 Ex -0.004752487 -0.137585556 0.132833069 2 1: GGA PBEGcGxHEG 0 1 Ex -1.026986149 -1.068173733 0.041187584 2 +7: 1 11.800 0.000000001 -0.016225680 -0.016226768 0.000001088 1: GGA PBEGcGxHEG 0 2 Ex -1.074668651 -1.033481059 0.041187592 2 1: GGA PBEGcGxHEG 0 3 Ex 0.032204288 0.049217695 0.017013408 2 1: GGA PBEGcGxHEG 0 4 Ex -0.004998171 -0.091841511 0.086843340 2 @@ -4335,6 +4347,9 @@ 1: 3 0.084611482 0.303864918 1.292435906 0.801756220 1: 4 0.091981529 0.210105585 -0.328547583 0.626361318 1: GGA PW91 0 1 Ex -0.717192208 -0.698027741 0.019164468 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 -0.903820992 0.000000786 1: GGA PW91 0 2 Ex -0.379195324 -0.398359791 0.019164467 2 1: GGA PW91 0 3 Ex -0.133998223 -0.228248200 0.094249977 2 1: GGA PW91 0 4 Ex -0.145670081 -0.081205482 0.064464599 2 @@ -4369,6 +4384,7 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.784026016 -0.771120736 0.012905279 2 1: GGA PBEJsJrHEG 0 2 Ex -0.639146489 -0.652051769 0.012905279 2 1: GGA PBEJsJrHEG 0 3 Ex -0.057437213 -0.118933147 0.061495934 2 +7: 2 0.400 0.031118189 -0.913175632 -0.913175464 -0.000000169 1: GGA PBEJsJrHEG 0 4 Ex -0.062440257 -0.020843703 0.041596554 2 1: GGA PBEGcGxLO 0 1 Ex -0.792509227 -0.779807617 0.012701610 2 1: GGA PBEGcGxLO 0 2 Ex -0.709962341 -0.722663951 0.012701610 2 @@ -4404,6 +4420,7 @@ 1: GGA C09 0 4 Ex 0.017501280 0.054983728 0.037482449 2 1: GGA BH 0 1 Ex -0.787946912 -0.777721708 0.010225205 2 1: GGA BH 0 2 Ex -0.729001206 -0.739226412 0.010225206 2 +7: 2 0.600 0.030349878 -0.898888840 -0.898888886 0.000000046 1: GGA BH 0 3 Ex -0.023368913 -0.066076137 0.042707223 2 1: GGA BH 0 4 Ex -0.025404453 0.002018119 0.027422571 2 1: @@ -4441,6 +4458,7 @@ 1: GGA WC 0 3 Ex -0.011990310 -0.070576813 0.058586503 2 1: GGA WC 0 4 Ex -0.196139437 -0.191211017 0.004928419 2 1: GGA PBEJsJrLO 0 1 Ex -1.429260478 -1.493390307 0.064129829 2 +7: 2 0.800 0.029306007 -0.900387339 -0.900387377 0.000000037 1: GGA PBEJsJrLO 0 2 Ex -1.421366329 -1.357236490 0.064129840 2 1: GGA PBEJsJrLO 0 3 Ex -0.010415289 -0.075030593 0.064615304 2 1: GGA PBEJsJrLO 0 4 Ex -0.170374990 -0.164939267 0.005435723 2 @@ -4471,6 +4489,7 @@ 1: GGA PW86 0 1 Ex -1.422723830 -1.520539710 0.097815880 2 1: GGA PW86 0 2 Ex -1.415457646 -1.317641754 0.097815892 2 1: GGA PW86 0 3 Ex -0.009586773 -0.119587123 0.110000350 2 +7: 2 1.000 0.028016469 -0.881655824 -0.881655827 0.000000003 1: GGA PW86 0 4 Ex -0.156821993 -0.147831407 0.008990586 2 1: GGA B88 0 1 Ex -1.325762320 -1.428558978 0.102796658 2 1: GGA B88 0 2 Ex -1.313504330 -1.210707662 0.102796668 2 @@ -4510,6 +4529,7 @@ 1: GGA LYP 0 1 Ec -0.041783578 -0.067671399 0.025887821 2 1: GGA LYP 0 2 Ex -1.449324101 -1.316323135 0.133000966 2 1: GGA LYP 0 2 Ec -0.000682573 0.025205248 0.025887821 2 +7: 2 1.200 0.026517171 -0.869787130 -0.869787142 0.000000012 1: GGA LYP 0 3 Ex -0.082894574 -0.208738501 0.125843927 2 1: GGA LYP 0 3 Ec 0.006885029 -0.027446409 0.034331438 2 1: GGA LYP 0 4 Ex 0.182742354 0.305734776 0.122992422 2 @@ -4542,6 +4562,7 @@ 1: GGA AM05 0 1 Ec -0.120111406 -0.118083219 0.002028187 2 1: GGA AM05 0 2 Ex -1.489800922 -1.432486664 0.057314258 2 1: GGA AM05 0 2 Ec -0.067644278 -0.069672465 0.002028187 2 +7: 2 1.400 0.024848378 -0.849409711 -0.849409699 -0.000000011 1: GGA AM05 0 3 Ex -0.104716676 -0.152527614 0.047810938 2 1: GGA AM05 0 3 Ec 0.008789023 0.011101267 0.002312244 2 1: GGA AM05 0 4 Ex 0.230849512 0.286762586 0.055913074 2 @@ -4576,6 +4597,7 @@ 1: GGA PBE 0 2 Ex -1.057921138 -0.892344824 0.165576314 2 1: GGA PBE 0 3 Ex -0.027768305 0.027517501 0.055285806 2 1: GGA PBE 0 4 Ex -0.001993609 0.450840548 0.452834157 2 +7: 2 1.600 0.023052921 -0.829194760 -0.829194754 -0.000000005 1: GGA RPBE 0 1 Ex -1.059962352 -1.265624964 0.205662612 2 1: GGA RPBE 0 2 Ex -1.098963565 -0.893300948 0.205662617 2 1: GGA RPBE 0 3 Ex 0.036776291 0.105386105 0.068609813 2 @@ -4586,35 +4608,6 @@ 1: GGA revPBE 0 4 Ex -0.002829573 0.619496021 0.622325594 2 1: GGA LYP 0 1 Ex -1.021156067 -1.261229372 0.240073305 2 1: GGA LYP 0 1 Ec -0.023115074 -0.029812917 0.006697843 2 -7: 2 4.400 0.002822947 -0.412572354 -0.412572354 -0.000000000 -7: 2 4.600 0.002254159 -0.381911080 -0.381911078 -0.000000002 -7: 2 4.800 0.001782061 -0.352568553 -0.352568555 0.000000002 -7: 2 5.000 0.001394815 -0.324805491 -0.324805492 0.000000000 -7: 2 5.200 0.001080853 -0.298841517 -0.298841516 -0.000000001 -7: 2 5.400 0.000829225 -0.274842954 -0.274842954 -0.000000000 -7: 2 5.600 0.000629844 -0.252923338 -0.252923338 -0.000000000 -7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000001 -7: 2 6.000 0.000352629 -0.215702309 -0.215702310 0.000000001 -7: 2 6.200 0.000259921 -0.200780146 -0.200780147 0.000000001 -7: 2 6.400 0.000189678 -0.188871729 -0.188871731 0.000000002 -7: 2 6.600 0.000137039 -0.180551188 -0.180551190 0.000000003 -7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 -7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000015 -7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 -7: 2 7.400 0.000033779 -0.163293898 -0.163293894 -0.000000004 -7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 -7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 -7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 -7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 -7: 2 8.400 0.000004681 -0.075347142 -0.075346959 -0.000000183 -7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000077 -7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 -7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 -7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 -7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 -7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002249 -7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 -7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA LYP 0 2 Ex -0.871409250 -0.631335945 0.240073305 2 1: GGA LYP 0 2 Ec 0.008645781 0.015343624 0.006697843 2 1: GGA LYP 0 3 Ex -0.141204135 -0.060047738 0.081156397 2 @@ -4639,6 +4632,7 @@ 1: GGA PBEGcGxLO 0 4 Ex -0.006884396 0.376761623 0.383646019 2 1: GGA PBEGcGxHEG 0 1 Ex -1.094269328 -1.202964314 0.108694986 2 1: GGA PBEGcGxHEG 0 2 Ex -1.005293259 -0.896598267 0.108694992 2 +7: 2 1.800 0.021174391 -0.806916840 -0.806916848 0.000000008 1: GGA PBEGcGxHEG 0 3 Ex -0.083900206 -0.047513659 0.036386547 2 1: GGA PBEGcGxHEG 0 4 Ex -0.006023566 0.289945599 0.295969164 2 1: GGA PBESOL 0 1 Ex -1.064190662 -1.206249570 0.142058908 2 @@ -4677,6 +4671,7 @@ 1: 4 -0.339073770 -2.397414329 2.108877713 2.483145343 1: GGA PW91 0 1 Ex -0.806184579 -0.815743320 0.009558741 2 1: GGA PW91 0 2 Ex -0.791245379 -0.781686624 0.009558755 2 +7: 2 2.000 0.019255418 -0.783153757 -0.783153757 0.000000000 1: GGA PW91 0 3 Ex 0.244642764 0.346171257 0.101528493 2 1: GGA PW91 0 4 Ex 0.255117266 0.157477409 0.097639857 2 1: GGA PBE 0 1 Ex -1.056435708 -1.057567722 0.001132014 2 @@ -4713,6 +4708,7 @@ 1: GGA PBEJsJrHEG 0 4 Ex 0.119387824 0.045254432 0.074133392 2 1: GGA PBEGcGxLO 0 1 Ex -1.065934910 -1.066369326 0.000434416 2 1: GGA PBEGcGxLO 0 2 Ex -1.061633036 -1.061198609 0.000434427 2 +7: 2 2.200 0.017336125 -0.757597743 -0.757597741 -0.000000002 1: GGA PBEGcGxLO 0 3 Ex 0.070447027 0.144811519 0.074364492 2 1: GGA PBEGcGxLO 0 4 Ex 0.073463251 0.002139259 0.071323992 2 1: GGA PBEGcGxHEG 0 1 Ex -1.011770482 -1.012382311 0.000611829 2 @@ -4744,6 +4740,7 @@ 1: GGA C09 0 3 Ex -0.019485965 0.045848584 0.065334549 2 1: GGA C09 0 4 Ex -0.020320266 -0.082991045 0.062670779 2 1: GGA BH 0 1 Ex -1.074356971 -1.059646244 0.014710726 2 +7: 2 2.400 0.015452834 -0.730277351 -0.730277356 0.000000005 1: GGA BH 0 2 Ex -1.070695710 -1.085406426 0.014710716 2 1: GGA BH 0 3 Ex 0.059956416 0.141668422 0.081712006 2 1: GGA BH 0 4 Ex 0.062523480 -0.015402918 0.077926398 2 @@ -4782,6 +4779,7 @@ 1: GGA WC 0 3 Ex 0.006636253 -3.029309001 3.035945254 2 1: GGA WC 0 4 Ex -0.001576822 -4.362060994 4.360484172 2 1: GGA PBEJsJrLO 0 1 Ex -0.938834238 -2.004913171 1.066078933 2 +7: 2 2.600 0.013637077 -0.701421448 -0.701421447 -0.000000001 1: GGA PBEJsJrLO 0 2 Ex -0.981027924 0.085051012 1.066078935 2 1: GGA PBEJsJrLO 0 3 Ex -0.012971154 -2.779389314 2.766418160 2 1: GGA PBEJsJrLO 0 4 Ex 0.003082041 -4.342327744 4.345409785 2 @@ -4812,6 +4810,7 @@ 1: GGA PW86 0 1 Ex -0.935730078 -1.911723981 0.975993902 2 1: GGA PW86 0 2 Ex -1.078389743 -0.102395837 0.975993906 2 1: GGA PW86 0 3 Ex -0.043856337 -2.903376322 2.859519985 2 +7: 2 2.800 0.011914930 -0.671294327 -0.671294320 -0.000000006 1: GGA PW86 0 4 Ex 0.010420586 -5.343459755 5.353880341 2 1: GGA B88 0 1 Ex -0.927315106 -2.529443192 1.602128087 2 1: GGA B88 0 2 Ex -0.916037344 0.686090746 1.602128090 2 @@ -4847,6 +4846,7 @@ 1: GGA revPBE 0 2 Ex -0.878443514 -0.989257754 0.110814240 2 1: GGA revPBE 0 3 Ex 0.102233148 0.311192345 0.208959197 2 1: GGA revPBE 0 4 Ex 0.100414700 -0.109588390 0.210003091 2 +7: 2 3.000 0.010306678 -0.640127830 -0.640127832 0.000000002 1: GGA LYP 0 1 Ex -0.683858761 -0.481110128 0.202748633 2 1: GGA LYP 0 1 Ec -0.047227206 -0.098614938 0.051387732 2 1: GGA LYP 0 2 Ex -0.685635532 -0.888384165 0.202748633 2 @@ -4877,6 +4877,7 @@ 1: GGA PBEGcGxHEG 0 4 Ex 0.011683292 -0.082507796 0.094191087 2 1: GGA PBESOL 0 1 Ex -0.814867369 -0.742457723 0.072409646 2 1: GGA PBESOL 0 2 Ex -0.813130507 -0.885540146 0.072409638 2 +7: 2 3.200 0.008826792 -0.608140908 -0.608140901 -0.000000007 1: GGA PBESOL 0 3 Ex 0.035754953 0.168697943 0.132942991 2 1: GGA PBESOL 0 4 Ex 0.035118970 -0.098440984 0.133559954 2 1: GGA AM05 0 1 Ex -0.622851083 -0.491632267 0.131218815 2 @@ -4912,6 +4913,7 @@ 1: GGA PW91 0 1 Ex -0.133929496 -0.101449617 0.032479879 2 1: GGA PW91 0 2 Ex -0.286088349 -0.318568206 0.032479857 2 1: GGA PW91 0 3 Ex 0.171887017 0.194034083 0.022147066 2 +7: 2 3.400 0.007484177 -0.575559240 -0.575559244 0.000000003 1: GGA PW91 0 4 Ex 0.044048939 -0.098470813 0.142519752 2 1: GGA PBE 0 1 Ex -0.339112686 -0.306259187 0.032853500 2 1: GGA PBE 0 2 Ex -0.374688408 -0.407541888 0.032853480 2 @@ -4944,6 +4946,7 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.312630397 -0.290043023 0.022587374 2 1: GGA PBEJsJrHEG 0 2 Ex -0.370256861 -0.392844216 0.022587355 2 1: GGA PBEJsJrHEG 0 3 Ex 0.065098026 0.080525534 0.015427508 2 +7: 2 3.600 0.006282640 -0.542620903 -0.542620904 0.000000001 1: GGA PBEJsJrHEG 0 4 Ex 0.016682464 -0.082530439 0.099212903 2 1: GGA PBEGcGxLO 0 1 Ex -0.337567386 -0.312290416 0.025276969 2 1: GGA PBEGcGxLO 0 2 Ex -0.371784959 -0.397061910 0.025276951 2 @@ -4976,6 +4979,7 @@ 1: GGA C09 0 1 Ex -0.386680208 -0.359799608 0.026880600 2 1: GGA C09 0 2 Ex -0.383951249 -0.410831832 0.026880583 2 1: GGA C09 0 3 Ex -0.003082783 0.015275964 0.018358747 2 +7: 2 3.800 0.005221523 -0.509578436 -0.509578437 0.000000001 1: GGA C09 0 4 Ex -0.000790015 -0.118856225 0.118066210 2 1: GGA BH 0 1 Ex -0.417822644 -0.382451368 0.035371276 2 1: GGA BH 0 2 Ex -0.388176396 -0.423547657 0.035371261 2 @@ -5015,6 +5019,7 @@ 1: GGA WC 0 2 Ex -0.441058358 -0.404391035 0.036667323 2 1: GGA WC 0 3 Ex -0.006801036 0.100599504 0.107400540 2 1: GGA WC 0 4 Ex -0.002938384 -0.075747794 0.072809411 2 +7: 2 4.000 0.004296443 -0.476699712 -0.476699714 0.000000001 1: GGA PBEJsJrLO 0 1 Ex -0.463417576 -0.495049966 0.031632390 2 1: GGA PBEJsJrLO 0 2 Ex -0.462538788 -0.430906390 0.031632398 2 1: GGA PBEJsJrLO 0 3 Ex -0.000212150 0.092343544 0.092555694 2 @@ -5046,6 +5051,7 @@ 1: GGA PW86 0 1 Ex -0.422053001 -0.438586056 0.016533056 2 1: GGA PW86 0 2 Ex -0.506054549 -0.489521485 0.016533064 2 1: GGA PW86 0 3 Ex 0.020279016 0.066422068 0.046143052 2 +7: 2 4.200 0.003500077 -0.444266875 -0.444266874 -0.000000001 1: GGA PW86 0 4 Ex 0.008761537 -0.018783318 0.027544855 2 1: GGA B88 0 1 Ex -0.335029523 -0.339486959 0.004457436 2 1: GGA B88 0 2 Ex -0.420203037 -0.415745592 0.004457445 2 @@ -5081,6 +5087,7 @@ 1: GGA revPBE 0 2 Ex -0.860818612 -1.024077228 0.163258616 2 1: GGA revPBE 0 3 Ex 0.003248671 0.099291973 0.096043302 2 1: GGA revPBE 0 4 Ex -0.005852267 0.113048904 0.118901172 2 +7: 2 4.400 0.002822947 -0.412572354 -0.412572354 -0.000000000 1: GGA LYP 0 1 Ex -0.770306923 -0.658841122 0.111465801 2 1: GGA LYP 0 1 Ec -0.156072398 0.010239544 0.166311942 2 1: GGA LYP 0 2 Ex -0.650494169 -0.761959970 0.111465801 2 @@ -5115,6 +5122,7 @@ 1: GGA PBESOL 0 4 Ex 0.073644022 0.146213769 0.072569747 2 1: GGA AM05 0 1 Ex -0.737658731 -0.685281159 0.052377571 2 1: GGA AM05 0 1 Ec -0.067345571 -0.068515767 0.001170197 2 +7: 2 4.600 0.002254159 -0.381911080 -0.381911078 -0.000000002 1: GGA AM05 0 2 Ex -0.596485566 -0.648863138 0.052377572 2 1: GGA AM05 0 2 Ec -0.090712375 -0.089542179 0.001170197 2 1: GGA AM05 0 3 Ex -0.097536432 -0.013749012 0.083787420 2 @@ -5151,6 +5159,7 @@ 1: GGA PBE 0 2 Ex -0.847947052 -0.171221533 0.676725519 2 1: GGA PBE 0 3 Ex 0.023091212 -0.159836760 0.182927972 2 1: GGA PBE 0 4 Ex -0.022190639 0.160384994 0.182575634 2 +7: 2 4.800 0.001782061 -0.352568553 -0.352568555 0.000000002 1: GGA RPBE 0 1 Ex -0.869585478 -1.780315020 0.910729542 2 1: GGA RPBE 0 2 Ex -0.807421827 0.103307720 0.910729547 2 1: GGA RPBE 0 3 Ex 0.058691015 -0.191292395 0.249983410 2 @@ -5188,6 +5197,7 @@ 1: GGA PBEGcGxHEG 0 3 Ex -0.005494277 -0.121748012 0.116253735 2 1: GGA PBEGcGxHEG 0 4 Ex 0.005279996 0.132021885 0.126741888 2 1: GGA PBESOL 0 1 Ex -0.793164916 -1.385387860 0.592222944 2 +7: 2 5.000 0.001394815 -0.324805491 -0.324805492 0.000000000 1: GGA PBESOL 0 2 Ex -0.805649486 -0.213426538 0.592222948 2 1: GGA PBESOL 0 3 Ex -0.011787146 -0.151839306 0.140052160 2 1: GGA PBESOL 0 4 Ex 0.011327440 0.191951561 0.180624121 2 @@ -5232,6 +5242,7 @@ 1: GGA RPBE 0 1 Ex -0.930428859 2.101065229 3.031494088 2 1: GGA RPBE 0 2 Ex -0.927562664 -3.959056768 3.031494104 2 1: GGA RPBE 0 3 Ex 0.002575218 1.107272267 1.104697049 2 +7: 2 5.200 0.001080853 -0.298841517 -0.298841516 -0.000000001 1: GGA RPBE 0 4 Ex -0.042671147 -0.077814176 0.035143029 2 1: GGA revPBE 0 1 Ex -0.913786092 2.084030981 2.997817074 2 1: GGA revPBE 0 2 Ex -0.913084918 -3.910902007 2.997817089 2 @@ -5249,15 +5260,6 @@ 1: GGA WC 0 2 Ex -0.954042068 -2.945378586 1.991336518 2 1: GGA WC 0 3 Ex -0.002704708 0.687569439 0.690274147 2 1: GGA WC 0 4 Ex 0.044816778 0.019596567 0.025220211 2 -7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 -7: 2 10.400 0.000000042 -0.024899792 -0.024901677 0.000001885 -7: 2 10.600 0.000000025 -0.023159554 -0.023161329 0.000001776 -7: 2 10.800 0.000000015 -0.021608555 -0.021610223 0.000001668 -7: 2 11.000 0.000000008 -0.020221667 -0.020223260 0.000001593 -7: 2 11.200 0.000000005 -0.018978407 -0.018979877 0.000001470 -7: 2 11.400 0.000000003 -0.017861495 -0.017862916 0.000001421 -7: 2 11.600 0.000000002 -0.016855994 -0.016857326 0.000001332 -7: avgDiffVxc, maxDiffVxc = 0.000000681 0.000002261 1: GGA PBEJsJrLO 0 1 Ex -0.959012474 1.022910366 1.981922840 2 1: GGA PBEJsJrLO 0 2 Ex -0.959027290 -2.940950144 1.981922854 2 1: GGA PBEJsJrLO 0 3 Ex -0.000013312 0.713876590 0.713889902 2 @@ -5309,6 +5311,7 @@ 1: 3 -0.003376142 0.055689019 0.341771181 -0.623713034 1: 4 -0.000539612 -0.842359725 0.821882968 -0.047496853 1: GGA PW91 0 1 Ex -0.703440605 -0.723822076 0.020381472 2 +7: 2 5.400 0.000829225 -0.274842954 -0.274842954 -0.000000000 1: GGA PW91 0 2 Ex -0.557737841 -0.537356367 0.020381473 2 1: GGA PW91 0 3 Ex 0.025178923 -0.136362547 0.161541470 2 1: GGA PW91 0 4 Ex 0.004024373 0.645770580 0.641746207 2 @@ -5370,6 +5373,7 @@ 1: GGA PW86 0 4 Ex 0.002164063 0.532829657 0.530665594 2 1: GGA B88 0 1 Ex -0.517744576 -0.559997736 0.042253160 2 1: GGA B88 0 2 Ex -0.472716062 -0.430462900 0.042253162 2 +7: 2 5.600 0.000629844 -0.252923338 -0.252923338 -0.000000000 1: GGA B88 0 3 Ex 0.007781386 -0.245809881 0.253591267 2 1: GGA B88 0 4 Ex 0.001243707 0.822976254 0.821732547 2 1: GGA C09 0 1 Ex -0.431238875 -0.473199302 0.041960427 2 @@ -5419,7 +5423,6 @@ 1: GGA PBEJsJrLO 0 3 Ex -0.026861024 -0.025477954 0.001383070 2 1: GGA PBEJsJrLO 0 4 Ex 0.010883630 0.027938586 0.017054955 2 1: GGA PBEJsJrHEG 0 1 Ex -0.527859469 -0.538896883 0.011037414 2 -5/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.09 sec 1: GGA PBEJsJrHEG 0 2 Ex -0.538138277 -0.527100878 0.011037399 2 1: GGA PBEJsJrHEG 0 3 Ex -0.019913001 -0.019489712 0.000423289 2 1: GGA PBEJsJrHEG 0 4 Ex 0.008068409 0.016143516 0.008075106 2 @@ -5439,6 +5442,7 @@ 1: GGA AM05 0 1 Ec -0.046301641 -0.046220861 0.000080780 2 1: GGA AM05 0 2 Ex -0.339314631 -0.232440851 0.106873780 2 1: GGA AM05 0 2 Ec -0.045224699 -0.045305479 0.000080780 2 +7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000001 1: GGA AM05 0 3 Ex -0.014417608 0.058534150 0.072951759 2 1: GGA AM05 0 3 Ec 0.002086345 0.002092160 0.000005815 2 1: GGA AM05 0 4 Ex 0.005841770 0.253964519 0.248122749 2 @@ -5450,6 +5454,7 @@ 1: GGA B88 0 1 Ex -0.393500176 -0.551728244 0.158228067 2 1: GGA B88 0 2 Ex -0.403250131 -0.245022092 0.158228040 2 1: GGA B88 0 3 Ex -0.018888461 0.089112402 0.108000863 2 +7: 2 6.000 0.000352629 -0.215702309 -0.215702310 0.000000001 1: GGA B88 0 4 Ex 0.007653284 0.374989215 0.367335932 2 1: GGA C09 0 1 Ex -0.685328071 -0.731083627 0.045755555 2 1: GGA C09 0 2 Ex -0.719445139 -0.673689605 0.045755534 2 @@ -5495,6 +5500,7 @@ 1: GGA PBEJsJrLO 0 4 Ex -0.012130305 -0.007801463 0.004328842 2 1: GGA PBEJsJrHEG 0 1 Ex -0.154699869 -0.155212465 0.000512596 2 1: GGA PBEJsJrHEG 0 2 Ex -0.189773869 -0.189261272 0.000512597 2 +7: 2 6.200 0.000259921 -0.200780146 -0.200780147 0.000000001 1: GGA PBEJsJrHEG 0 3 Ex 0.018860531 0.020680621 0.001820090 2 1: GGA PBEJsJrHEG 0 4 Ex -0.011929930 -0.009806017 0.002123913 2 1: GGA PBEGcGxLO 0 1 Ex -0.177083420 -0.178327800 0.001244380 2 @@ -5527,6 +5533,7 @@ 1: GGA B88 0 4 Ex 0.009451509 0.075077178 0.065625669 2 1: GGA C09 0 1 Ex -0.222190604 -0.223304912 0.001114308 2 1: GGA C09 0 2 Ex -0.266360653 -0.265246343 0.001114309 2 +7: 2 6.400 0.000189678 -0.188871729 -0.188871731 0.000000002 1: GGA C09 0 3 Ex 0.023751799 0.027693592 0.003941793 2 1: GGA C09 0 4 Ex -0.015023823 -0.010430147 0.004593676 2 1: GGA BH 0 1 Ex -0.221602619 -0.226348666 0.004746048 2 @@ -5572,6 +5579,7 @@ 1: GGA PBEJsJrLO 0 3 Ex 0.005026660 0.026767270 0.021740610 2 1: GGA PBEJsJrLO 0 4 Ex 0.006066638 0.281086436 0.275019799 2 1: GGA PBEJsJrHEG 0 1 Ex -0.852912355 -0.810177744 0.042734612 2 +7: 2 6.600 0.000137039 -0.180551188 -0.180551190 0.000000003 1: GGA PBEJsJrHEG 0 2 Ex -0.806660924 -0.849395550 0.042734626 2 1: GGA PBEJsJrHEG 0 3 Ex 0.003863275 0.005040685 0.001177410 2 1: GGA PBEJsJrHEG 0 4 Ex 0.004662557 0.215645416 0.210982859 2 @@ -5624,6 +5632,7 @@ 1: GGA PBE 0 1 Ex -1.025580711 -2.879683188 1.854102477 2 1: GGA PBE 0 2 Ex -1.146090765 0.708011699 1.854102464 2 1: GGA PBE 0 3 Ex 0.060420299 1.694249865 1.633829566 2 +7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 1: GGA PBE 0 4 Ex -0.072217600 -0.252263822 0.180046222 2 1: GGA RPBE 0 1 Ex -0.968532112 -3.446759470 2.478227359 2 1: GGA RPBE 0 2 Ex -1.168292249 1.309935096 2.478227345 2 @@ -5661,6 +5670,7 @@ 1: GGA PBEGcGxHEG 0 2 Ex -1.081144251 0.167990819 1.249135069 2 1: GGA PBEGcGxHEG 0 3 Ex 0.030268801 1.167093690 1.136824889 2 1: GGA PBEGcGxHEG 0 4 Ex -0.036178904 -0.127283450 0.091104546 2 +7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000015 1: GGA PBESOL 0 1 Ex -0.978616506 -2.667792541 1.689176035 2 1: GGA PBESOL 0 2 Ex -1.024926205 0.664249818 1.689176023 2 1: GGA PBESOL 0 3 Ex 0.023218360 1.650971517 1.627753157 2 @@ -5700,6 +5710,7 @@ 1: GGA PW91 0 2 Ex -1.302130564 -1.307655581 0.005525017 2 1: GGA PW91 0 3 Ex -0.053165456 -0.039737141 0.013428315 2 1: GGA PW91 0 3 Ec -0.010860209 -0.010881695 0.000021485 2 +7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 1: GGA PW91 0 4 Ex 0.143266908 0.154605818 0.011338910 2 1: GGA PW91 0 4 Ec 0.029265405 0.029323302 0.000057897 2 1: GGA PBE 0 1 Ex -1.182946315 -1.134882904 0.048063411 2 @@ -5742,6 +5753,7 @@ 1: GGA PBEGcGxHEG 0 2 Ex -1.231680334 -1.260095639 0.028415305 2 1: GGA PBEGcGxHEG 0 3 Ex 0.029697766 0.084848261 0.055150495 2 1: GGA PBEGcGxHEG 0 4 Ex -0.080027661 -0.026873952 0.053153710 2 +7: 2 7.400 0.000033779 -0.163293898 -0.163293894 -0.000000004 1: GGA PBESOL 0 1 Ex -1.135372995 -1.103805618 0.031567376 2 1: GGA PBESOL 0 2 Ex -1.242855697 -1.274423026 0.031567329 2 1: GGA PBESOL 0 3 Ex 0.017336457 0.078485221 0.061148765 2 @@ -5807,6 +5819,7 @@ 1: GGA PBEJsJrLO 0 1 Ex -1.462485872 -0.867506675 0.594979197 2 1: GGA PBEJsJrLO 0 2 Ex -1.420932623 -2.015911829 0.594979206 2 1: GGA PBEJsJrLO 0 3 Ex -0.040037786 -0.045099930 0.005062144 2 +7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 1: GGA PBEJsJrLO 0 4 Ex 0.034131698 0.390368882 0.356237184 2 1: GGA PBEJsJrHEG 0 1 Ex -1.489898114 -1.016215884 0.473682230 2 1: GGA PBEJsJrHEG 0 2 Ex -1.471887769 -1.945570006 0.473682237 2 @@ -5866,6 +5879,7 @@ 1: GGA RPBE 0 2 Ex -1.184374311 -1.488942494 0.304568183 2 1: GGA RPBE 0 3 Ex -0.089983501 0.254200080 0.344183581 2 1: GGA RPBE 0 4 Ex 0.051218126 0.649801061 0.598582936 2 +7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 1: GGA revPBE 0 1 Ex -1.187619102 -0.890682523 0.296936579 2 1: GGA revPBE 0 2 Ex -1.189708484 -1.486645057 0.296936572 2 1: GGA revPBE 0 3 Ex -0.091604473 0.242964883 0.334569357 2 @@ -5926,6 +5940,7 @@ 1: GGA BH 0 2 Ex -1.237300676 -1.381134713 0.143834037 2 1: GGA BH 0 3 Ex -0.098932647 0.066053327 0.164985975 2 1: GGA BH 0 4 Ex 0.056311932 0.343288740 0.286976808 2 +7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 1: 1: iSpin dens gradDens 1: 1 0.000083938 0.000828537 -0.001037074 0.000894185 @@ -5983,6 +5998,7 @@ 1: GGA AM05 0 3 Ex -0.003929905 0.009616420 0.013546324 2 1: GGA AM05 0 4 Ex 0.067073437 0.063782519 0.003290918 2 1: GGA PW86 0 1 Ex -0.175012658 -0.181988829 0.006976171 2 +7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 1: GGA PW86 0 2 Ex -0.147884492 -0.140908394 0.006976098 2 1: GGA PW86 0 3 Ex -0.002140890 -0.000005972 0.002134919 2 1: GGA PW86 0 4 Ex 0.036539533 0.034074974 0.002464559 2 @@ -6029,6 +6045,7 @@ 1: GGA LYP 0 4 Ex -0.072255984 -0.480028765 0.407772781 2 1: GGA LYP 0 4 Ec 0.025144922 0.088597288 0.063452366 2 1: GGA WC 0 1 Ex -1.153200654 -0.927080808 0.226119846 2 +7: 2 8.400 0.000004681 -0.075347142 -0.075346959 -0.000000183 1: GGA WC 0 2 Ex -1.128670456 -1.354790296 0.226119840 2 1: GGA WC 0 3 Ex 0.023500063 -0.573260068 0.596760131 2 1: GGA WC 0 4 Ex -0.059514770 -0.341752015 0.282237245 2 @@ -6083,6 +6100,7 @@ 1: 3 0.613452021 12.225166895 -12.261449983 -15.039740391 1: 4 0.110348688 10.922358372 -13.567180982 -2.779010076 1: GGA PW91 0 1 Ex -1.950930287 -2.062945125 0.112014838 2 +7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000077 1: GGA PW91 0 2 Ex -1.696918280 -1.584903447 0.112014833 2 1: GGA PW91 0 3 Ex 0.087267770 -0.044582465 0.131850235 2 1: GGA PW91 0 4 Ex 0.015697860 -0.157591933 0.173289793 2 @@ -6125,6 +6143,7 @@ 1: GGA PBEGcGxHEG 0 1 Ex -1.484804696 -1.561112455 0.076307758 2 1: GGA PBEGcGxHEG 0 2 Ex -1.684050785 -1.607743032 0.076307753 2 1: GGA PBEGcGxHEG 0 3 Ex -0.068452519 -0.153655108 0.085202588 2 +7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA PBEGcGxHEG 0 4 Ex -0.012313344 -0.156033682 0.143720338 2 1: GGA PBESOL 0 1 Ex -1.472654874 -1.559867715 0.087212841 2 1: GGA PBESOL 0 2 Ex -1.671001322 -1.583788486 0.087212836 2 @@ -6154,6 +6173,7 @@ 1: GGA BH 0 2 Ex -1.674921192 -1.588868476 0.086052717 2 1: GGA BH 0 3 Ex -0.052744134 -0.142898040 0.090153906 2 1: GGA BH 0 4 Ex -0.009487696 -0.204525756 0.195038060 2 +7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: 1: iSpin dens gradDens 1: 1 1.225777286 -7.926101264 -4.889391476 -3.710789783 @@ -6192,6 +6212,7 @@ 1: GGA PBEJsJrLO 0 2 Ex -1.057183870 -1.100390978 0.043207108 2 1: GGA PBEJsJrLO 0 3 Ex 0.022627869 0.151574943 0.128947074 2 1: GGA PBEJsJrLO 0 4 Ex 0.041370273 0.065489054 0.024118781 2 +7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA PBEJsJrHEG 0 1 Ex -1.252034697 -1.228628680 0.023406017 2 1: GGA PBEJsJrHEG 0 2 Ex -1.102389376 -1.125795407 0.023406031 2 1: GGA PBEJsJrHEG 0 3 Ex 0.018682463 0.105722073 0.087039610 2 @@ -6229,6 +6250,7 @@ 1: GGA C09 0 3 Ex 0.029825915 0.189182645 0.159356730 2 1: GGA C09 0 4 Ex 0.054530378 0.111624676 0.057094298 2 1: GGA BH 0 1 Ex -1.245069460 -1.158715824 0.086353637 2 +7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 1: GGA BH 0 2 Ex -0.968694224 -1.055047873 0.086353649 2 1: GGA BH 0 3 Ex 0.034504054 0.235311344 0.200807290 2 1: GGA BH 0 4 Ex 0.063083366 0.142412404 0.079329037 2 @@ -6267,6 +6289,7 @@ 1: GGA WC 0 3 Ex 0.076082067 0.034528400 0.041553667 2 1: GGA WC 0 4 Ex 0.055743278 0.042681449 0.013061829 2 1: GGA PBEJsJrLO 0 1 Ex -0.775066386 -0.983157721 0.208091335 2 +7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002249 1: GGA PBEJsJrLO 0 2 Ex -0.755709545 -0.547618235 0.208091310 2 1: GGA PBEJsJrLO 0 3 Ex 0.046056247 0.008084947 0.037971300 2 1: GGA PBEJsJrLO 0 4 Ex 0.033744170 0.025885694 0.007858476 2 @@ -6299,6 +6322,7 @@ 1: GGA PW86 0 3 Ex -0.008515980 -0.062207953 0.053691973 2 1: GGA PW86 0 4 Ex -0.006239429 0.003102678 0.009342107 2 1: GGA B88 0 1 Ex -0.588114870 -0.970624860 0.382509990 2 +7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: GGA B88 0 2 Ex -0.596177414 -0.213667453 0.382509961 2 1: GGA B88 0 3 Ex -0.019183425 -0.125212634 0.106029208 2 1: GGA B88 0 4 Ex -0.014055178 0.020949900 0.035005078 2 @@ -6332,6 +6356,7 @@ 1: GGA revPBE 0 2 Ex -0.824681726 -1.019161743 0.194480017 2 1: GGA revPBE 0 3 Ex -0.126401642 0.068349921 0.194751563 2 1: GGA revPBE 0 4 Ex -0.163448278 -0.372532388 0.209084111 2 +7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA LYP 0 1 Ex -0.655240345 -0.450635498 0.204604847 2 1: GGA LYP 0 1 Ec -0.268342666 -0.232685656 0.035657010 2 1: GGA LYP 0 2 Ex -0.670609598 -0.875214445 0.204604847 2 @@ -6364,6 +6389,7 @@ 1: GGA PBESOL 0 2 Ex -0.775196888 -0.891988906 0.116792018 2 1: GGA PBESOL 0 3 Ex -0.053451163 0.062987237 0.116438400 2 1: GGA PBESOL 0 4 Ex -0.069116987 -0.194279698 0.125162712 2 +7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA AM05 0 1 Ex -0.590927778 -0.482892354 0.108035424 2 1: GGA AM05 0 1 Ec -0.067710391 -0.070013691 0.002303300 2 1: GGA AM05 0 2 Ex -0.630497701 -0.738533125 0.108035424 2 @@ -6402,6 +6428,7 @@ 1: GGA PBE 0 2 Ex -0.249968846 -0.258046056 0.008077210 2 1: GGA PBE 0 3 Ex 0.033661181 0.039517811 0.005856630 2 1: GGA PBE 0 4 Ex -0.055940789 -0.049085419 0.006855369 2 +7: 2 10.400 0.000000042 -0.024899792 -0.024901677 0.000001885 1: GGA RPBE 0 1 Ex -0.221260581 -0.220744925 0.000515656 2 1: GGA RPBE 0 2 Ex -0.284722834 -0.285238437 0.000515603 2 1: GGA RPBE 0 3 Ex 0.046295699 0.046669920 0.000374222 2 @@ -6430,6 +6457,7 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.221444990 -0.226973528 0.005528538 2 1: GGA PBEJsJrHEG 0 3 Ex 0.031283899 0.035292540 0.004008641 2 1: GGA PBEJsJrHEG 0 4 Ex -0.051990034 -0.047297793 0.004692242 2 +7: 2 10.600 0.000000025 -0.023159554 -0.023161329 0.000001776 1: GGA PBEGcGxLO 0 1 Ex -0.194225586 -0.182328338 0.011897248 2 1: GGA PBEGcGxLO 0 2 Ex -0.230854886 -0.242752086 0.011897200 2 1: GGA PBEGcGxLO 0 3 Ex 0.026721066 0.035345758 0.008624692 2 @@ -6465,6 +6493,7 @@ 1: GGA BH 0 1 Ex -0.272392350 -0.241979662 0.030412687 2 1: GGA BH 0 2 Ex -0.267262438 -0.297675073 0.030412635 2 1: GGA BH 0 3 Ex -0.003742269 0.003164347 0.006906616 2 +7: 2 10.800 0.000000015 -0.021608555 -0.021610223 0.000001668 1: GGA BH 0 4 Ex 0.006219196 0.022918076 0.016698879 2 1: 1: iSpin dens gradDens @@ -6508,6 +6537,7 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.592385952 -0.439695196 0.152690755 2 1: GGA PBEJsJrHEG 0 3 Ex 0.024373580 -0.035249776 0.059623356 2 1: GGA PBEJsJrHEG 0 4 Ex -0.002038488 -0.138646096 0.136607608 2 +7: 2 11.000 0.000000008 -0.020221667 -0.020223260 0.000001593 1: GGA PBEGcGxLO 0 1 Ex -0.599988593 -0.912232628 0.312244035 2 1: GGA PBEGcGxLO 0 2 Ex -0.581166382 -0.268922347 0.312244035 2 1: GGA PBEGcGxLO 0 3 Ex 0.029814170 -0.091657884 0.121472054 2 @@ -6542,6 +6572,7 @@ 1: GGA C09 0 4 Ex -0.004414875 -0.721959047 0.717544172 2 1: GGA BH 0 1 Ex -0.603956520 -1.125311038 0.521354517 2 1: GGA BH 0 2 Ex -0.589068046 -0.067713528 0.521354518 2 +7: 2 11.200 0.000000005 -0.018978407 -0.018979877 0.000001470 1: GGA BH 0 3 Ex 0.023583176 -0.176538615 0.200121791 2 1: GGA BH 0 4 Ex -0.001972382 -0.427052960 0.425080578 2 1: @@ -6581,6 +6612,7 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.259221443 -0.240304894 0.018916549 2 1: GGA PBEJsJrLO 0 2 Ex -0.226662868 -0.245579433 0.018916565 2 1: GGA PBEJsJrLO 0 3 Ex 0.001141991 -0.020302584 0.021444575 2 +7: 2 11.400 0.000000003 -0.017861495 -0.017862916 0.000001421 1: GGA PBEJsJrLO 0 4 Ex 0.013519052 0.038109364 0.024590312 2 1: GGA PBEJsJrHEG 0 1 Ex -0.241245034 -0.231430634 0.009814400 2 1: GGA PBEJsJrHEG 0 2 Ex -0.198001711 -0.207816125 0.009814414 2 @@ -6598,6 +6630,7 @@ 1: GGA PBESOL 0 2 Ex -0.225212313 -0.246913658 0.021701344 2 1: GGA PBESOL 0 3 Ex 0.000898842 -0.023700918 0.024599760 2 1: GGA PBESOL 0 4 Ex 0.010640626 0.038850823 0.028210197 2 +4/9 Test #5: libgridxc_test6 .................. Passed 0.07 sec 1: GGA AM05 0 1 Ex -0.159092666 0.018006945 0.177099610 2 1: GGA AM05 0 1 Ec -0.025463350 -0.025552290 0.000088940 2 1: GGA AM05 0 2 Ex -0.187025843 -0.364125454 0.177099611 2 @@ -6617,6 +6650,8 @@ 1: GGA C09 0 1 Ex -0.283219218 -0.239010180 0.044209037 2 1: GGA C09 0 2 Ex -0.278872842 -0.323081899 0.044209057 2 1: GGA C09 0 3 Ex 0.000152449 -0.050018409 0.050170858 2 +7: 2 11.600 0.000000002 -0.016855994 -0.016857326 0.000001332 +7: avgDiffVxc, maxDiffVxc = 0.000000681 0.000002261 1: GGA C09 0 4 Ex 0.001804713 0.059278167 0.057473454 2 1: GGA BH 0 1 Ex -0.247741921 -0.163198427 0.084543493 2 1: GGA BH 0 2 Ex -0.261083983 -0.345627500 0.084543516 2 @@ -6662,6 +6697,7 @@ 1: GGA PBEJsJrLO 0 4 Ex -0.009071893 -0.022094069 0.013022176 2 1: GGA PBEJsJrHEG 0 1 Ex -0.452327459 -0.509714519 0.057387060 2 1: GGA PBEJsJrHEG 0 2 Ex -0.484431465 -0.427044385 0.057387080 2 +5/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.07 sec 1: GGA PBEJsJrHEG 0 3 Ex 0.024120222 0.059560852 0.035440630 2 1: GGA PBEJsJrHEG 0 4 Ex -0.012882947 -0.018032471 0.005149523 2 1: GGA PBEGcGxLO 0 1 Ex -0.452383537 -0.566847714 0.114464178 2 @@ -9454,13 +9490,17 @@ 1: error 1 => V=dE/dDens is positive 1: error 2 => analytical and numerical value of dE/dDens differ 1: error 3 => analytical and numerical value of dE/dGradDens differ -6/9 Test #1: libgridxc_test1 .................. Passed 0.22 sec +6/9 Test #1: libgridxc_test1 .................. Passed 0.12 sec +3: Ex, Ec = -3.716289981 -0.771674483 +3: Dx, Dc = 1.192543612 0.121155159 +3: i1 i2 i3 iSpin Vxc dExc/dDens diff +3: 2 8 13 2 -0.313847006 -0.313846990 -0.000000016 +3: 4 2 23 2 -0.524218962 -0.524218947 -0.000000014 +3: 5 6 2 1 -0.626312320 -0.626312328 0.000000008 2: 2: funcs= VDW 2: auths= BH 2: dr, rMax = 0.200000 20.000000 -3: Ex, Ec = -3.716289981 -0.771674483 -3: Dx, Dc = 1.192543612 0.121155159 2: iSpin r dens Vxc dExc/dDens diff 2: 1 0.000 0.047620227 -0.999477920 2: 1 0.200 0.047382720 -0.999360161 -1.000195026 0.000834865 @@ -9468,24 +9508,24 @@ 2: 1 0.600 0.045524817 -0.987412253 -0.987508118 0.000095865 2: 1 0.800 0.043959010 -0.980158453 -0.980143428 -0.000015025 2: 1 1.000 0.042024703 -0.963929151 -0.963927478 -0.000001674 +3: 4 2 9 2 -0.561691010 -0.561691008 -0.000000002 2: 1 1.200 0.039775757 -0.949006509 -0.949005812 -0.000000697 2: 1 1.400 0.037272568 -0.929353368 -0.929356366 0.000002998 2: 1 1.600 0.034579382 -0.908100586 -0.908099078 -0.000001508 2: 1 1.800 0.031761587 -0.884442948 -0.884442173 -0.000000775 2: 1 2.000 0.028883127 -0.858808538 -0.858809374 0.000000836 -3: i1 i2 i3 iSpin Vxc dExc/dDens diff -3: 2 8 13 2 -0.313847006 -0.313846990 -0.000000016 2: 1 2.200 0.026004187 -0.831341143 -0.831341118 -0.000000025 2: 1 2.400 0.023179251 -0.802320622 -0.802320398 -0.000000223 2: 1 2.600 0.020455616 -0.772056571 -0.772056926 0.000000355 +3: 7 3 21 1 -0.491741169 -0.491741173 0.000000004 2: 1 2.800 0.017872394 -0.740675199 -0.740674874 -0.000000326 2: 1 3.000 0.015460016 -0.708430779 -0.708429554 -0.000001224 2: 1 3.200 0.013240188 -0.675669578 -0.675674008 0.000004431 2: 1 3.400 0.011226266 -0.642459702 -0.642454693 -0.000005009 -3: 4 2 23 2 -0.524218962 -0.524218947 -0.000000014 2: 1 3.600 0.009423960 -0.609091304 -0.609092449 0.000001145 2: 1 3.800 0.007832284 -0.575839731 -0.575841528 0.000001797 2: 1 4.000 0.006444664 -0.542697531 -0.542696463 -0.000001068 +3: 1 2 0 2 -0.680189858 -0.680189869 0.000000011 2: 1 4.200 0.005250115 -0.510078329 -0.510077517 -0.000000813 2: 1 4.400 0.004234421 -0.478003232 -0.478007539 0.000004307 2: 1 4.600 0.003381238 -0.446577649 -0.446566565 -0.000011084 @@ -9493,7 +9533,6 @@ 2: 1 5.000 0.002092223 -0.386734472 -0.386724841 -0.000009632 2: 1 5.200 0.001621280 -0.359258071 -0.359253815 -0.000004256 2: 1 5.400 0.001243837 -0.329009264 -0.329019031 0.000009767 -3: 5 6 2 1 -0.626312320 -0.626312328 0.000000008 2: 1 5.600 0.000944766 -0.268263860 -0.268258609 -0.000005251 2: 1 5.800 0.000710460 -0.184072378 -0.184073424 0.000001045 2: 1 6.000 0.000528944 -0.147193854 -0.147194457 0.000000604 @@ -9506,7 +9545,6 @@ 2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000748 2: 1 7.600 0.000034818 -0.165710223 -0.165709117 -0.000001106 2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001310 -3: 4 2 9 2 -0.561691010 -0.561691008 -0.000000002 2: 1 8.000 0.000015954 -0.142174017 -0.142175066 0.000001050 2: 1 8.200 0.000010638 -0.126477393 -0.126473509 -0.000003883 2: 1 8.400 0.000007022 -0.110553043 -0.110555103 0.000002060 @@ -9520,7 +9558,6 @@ 2: 1 10.000 0.000000176 -0.043050812 -0.043053583 0.000002771 2: 1 10.200 0.000000106 -0.038722914 -0.038725317 0.000002403 2: 1 10.400 0.000000063 -0.034770816 -0.034772942 0.000002126 -3: 7 3 21 1 -0.491741169 -0.491741173 0.000000004 2: 1 10.600 0.000000037 -0.031177334 -0.031179205 0.000001871 2: 1 10.800 0.000000022 -0.027908137 -0.027909786 0.000001648 2: 1 11.000 0.000000013 -0.024937534 -0.024938986 0.000001452 @@ -9539,7 +9576,6 @@ 2: 2 1.400 0.024848378 -0.853952605 -0.853955589 0.000002984 2: 2 1.600 0.023052921 -0.835057592 -0.835056074 -0.000001518 2: 2 1.800 0.021174391 -0.813963082 -0.813962307 -0.000000775 -3: 1 2 0 2 -0.680189858 -0.680189869 0.000000011 2: 2 2.000 0.019255418 -0.791103995 -0.791104835 0.000000840 2: 2 2.200 0.017336125 -0.766590785 -0.766590763 -0.000000022 2: 2 2.400 0.015452834 -0.740674175 -0.740673952 -0.000000223 @@ -9590,7 +9626,7 @@ 2: 2 11.400 0.000000003 -0.018968230 -0.018969178 0.000000948 2: 2 11.600 0.000000002 -0.016816386 -0.016817153 0.000000767 2: avgDiffVxc, maxDiffVxc = 0.000088778 0.000835202 -7/9 Test #2: libgridxc_test2 .................. Passed 5.77 sec +7/9 Test #2: libgridxc_test2 .................. Passed 4.95 sec 4: 4: funcs= VDW 4: auths= BH @@ -9601,7 +9637,7 @@ 4: atomDx, cellDx, diff = 1.349799036 1.349797201 0.000001835 4: atomDc, cellDc, diff = 0.155982425 0.155866069 0.000116356 4: avgDiffVxc, maxDiffVxc = 0.000006162 0.038047291 -8/9 Test #4: libgridxc_test4 .................. Passed 8.10 sec +8/9 Test #4: libgridxc_test4 .................. Passed 5.28 sec 3: xc stress * volume = 3: -4.405894836 -0.011039400 0.003122993 3: -0.011039400 -4.442866097 0.004079677 @@ -9614,17 +9650,17 @@ 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 9.79 sec +9/9 Test #3: libgridxc_test3 .................. Passed 6.87 sec 100% tests passed, 0 tests failed out of 9 -Total Test time (real) = 9.83 sec +Total Test time (real) = 6.88 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=cmake dh_prep -O--buildsystem=cmake dh_auto_install --destdir=debian/libgridxc-dev/ -O--buildsystem=cmake - cd obj-x86_64-linux-gnu && make -j12 install DESTDIR=/build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-x86_64-linux-gnu && make -j16 install DESTDIR=/build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.1.0 -B/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -9640,86 +9676,86 @@ make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' [ 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 -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend +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-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend +make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" -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_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.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-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.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-2.1.0/obj-x86_64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-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[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-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-2.1.0/obj-x86_64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +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-2.1.0/obj-x86_64-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]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-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-2.1.0/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +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-2.1.0/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-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_hse06.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-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-2.1.0/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. +make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build -[ 68%] Built target libgridxc-test1 -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. +make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 72%] Built target libgridxc-test6 -[ 76%] Built target libgridxc-test4 +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 80%] Built target libgridxc-test3 -[ 84%] Built target libgridxc-test2 -[ 88%] Built target libgridxc-test_libxc 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-2.1.0/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-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-test6.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build -[ 92%] Built target libgridxc-test_libxc2 make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_hse06.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 96%] Built target libgridxc-test_match -[100%] Built target libgridxc-test_hse06 +[ 70%] Built target libgridxc-test_libxc +[ 72%] Built target libgridxc-test3 +[ 76%] Built target libgridxc-test_hse06 +[ 84%] Built target libgridxc-test_libxc2 +[ 84%] Built target libgridxc-test4 +[ 88%] Built target libgridxc-test1 +[ 98%] Built target libgridxc-test2 +[100%] Built target libgridxc-test_match +[100%] Built target libgridxc-test6 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall @@ -9736,40 +9772,40 @@ -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-targets.cmake -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-targets-relwithdebinfo.cmake -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0 --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sorting.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fftr.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_chkgmx.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_sp.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_lda.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xwpbe.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_walltime.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_chkgmx.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_hybrids.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vdwxc.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_lda.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_array.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft3d.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sorting.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft3d.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_hybrids.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_minvec.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/share/licenses/libgridxc/COPYING make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' dh_installdocs -O--buildsystem=cmake @@ -9799,12 +9835,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/4134049/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/4134049/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/3133235 and its subdirectories -I: Current time: Thu Jul 17 14:10:51 -12 2025 -I: pbuilder-time-stamp: 1752804651 +I: removing directory /srv/workspace/pbuilder/4134049 and its subdirectories +I: Current time: Thu Aug 20 22:35:18 +14 2026 +I: pbuilder-time-stamp: 1787214918