Diff of the two buildlogs: -- --- b1/build.log 2025-03-30 17:23:10.948366171 +0000 +++ b2/build.log 2025-03-30 17:26:00.312745469 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Mar 30 05:22:07 -12 2025 -I: pbuilder-time-stamp: 1743355327 +I: Current time: Sun May 3 13:46:14 +14 2026 +I: pbuilder-time-stamp: 1777765574 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-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/3150082/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2949456/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 May 2 23:46 /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/2949456/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2949456/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' + 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=12 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='amd64' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='618c2345747a42249e868eae5ee46936' - 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='3150082' - PS1='# ' - PS2='> ' + INVOCATION_ID=5ef52232dd454a7a8fb984008315324f + 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=2949456 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.xGvjArhD/pbuilderrc_2iQH --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.xGvjArhD/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.xGvjArhD/pbuilderrc_OofI --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.xGvjArhD/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 6.1.0-32-cloud-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3150082/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/2949456/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 unstable/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB] Get: 70 http://deb.debian.org/debian unstable/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB] Get: 71 http://deb.debian.org/debian unstable/main amd64 pkg-config amd64 1.8.1-4 [14.0 kB] -Fetched 56.6 MB in 1s (107 MB/s) +Fetched 56.6 MB in 1s (43.0 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 ... 19805 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/2949456/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/2949456/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 @@ -547,8 +583,8 @@ -- Using pkg-config to search for libxcf03 - found -- Searching for libXC library - found -- Configuring libgridxc tests... --- Configuring done (0.3s) --- Generating done (0.0s) +-- Configuring done (1.5s) +-- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -575,86 +611,86 @@ 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 +[ 1%] Building Fortran object 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/precision.F90 -o CMakeFiles/libgridxc-lib.dir/src/precision.F90.o +[ 3%] 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 -[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o [ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o -[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.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/precision.F90 -o CMakeFiles/libgridxc-lib.dir/src/precision.F90.o 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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 +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_config.mod CMakeFiles/libgridxc-lib.dir/gridxc_config.mod.stamp GNU +[ 11%] 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/sorting.F90 -o CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o +[ 13%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o /usr/bin/f95 -DHAVE_LIBXC 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/build/reproducible-path/libgridxc-2.1.0/src/am05.F90 -o 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/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/interpolation.F90 -o CMakeFiles/libgridxc-lib.dir/src/interpolation.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 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/bessph.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_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_am05.mod CMakeFiles/libgridxc-lib.dir/gridxc_am05.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/am05.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_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/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ldaxc.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/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/am05.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_lda.mod CMakeFiles/libgridxc-lib.dir/gridxc_lda.mod.stamp GNU +/usr/bin/cmake -E 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_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_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 [ 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_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_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_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 -[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o [ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/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/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_hybrids.mod CMakeFiles/libgridxc-lib.dir/gridxc_hybrids.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o.provides.build -[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o -/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 +[ 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 [ 45%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o @@ -669,15 +705,15 @@ /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_dp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_dp.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_sp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_sp.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o.provides.build -[ 47%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/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/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o -[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o +[ 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 -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_radfft.mod CMakeFiles/libgridxc-lib.dir/gridxc_radfft.mod.stamp GNU +[ 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/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o /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 +/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/fft3d.F90.o.provides.build -[ 52%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o.provides.build +[ 50%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o [ 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/fftr.F90 -o 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/vv_vdwxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o @@ -693,10 +729,10 @@ /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 /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o.provides.build -[ 58%] Building Fortran object 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/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o -[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o +[ 58%] 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/cellxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o +[ 60%] Building Fortran object 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/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_atom.mod CMakeFiles/libgridxc-lib.dir/gridxc_atom.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cell.mod CMakeFiles/libgridxc-lib.dir/gridxc_cell.mod.stamp GNU @@ -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 -[ 64%] Linking Fortran static library libgridxc.a /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o.provides.build +[ 64%] Linking Fortran static library libgridxc.a /usr/bin/cmake -P CMakeFiles/libgridxc-lib.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-lib.dir/link.txt --verbose=1 /usr/bin/ar qc libgridxc.a "CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/am05.F90.o" "CMakeFiles/libgridxc-lib.dir/src/array.F90.o" "CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o" 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"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" @@ -713,146 +749,146 @@ 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[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/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-test1.dir/DependInfo.cmake "--color=" +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-test2.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make[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-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-test4.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-test6.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-test3.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_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[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_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_hse06.dir/DependInfo.cmake "--color=" 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-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". -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". Scanning dependencies of target libgridxc-test4 -Scanning dependencies of target libgridxc-test_libxc2 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/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". 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". -Scanning dependencies of target libgridxc-test1 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +Scanning dependencies of target libgridxc-test3 +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]: 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 +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". -Scanning dependencies of target libgridxc-test3 -Scanning dependencies of target libgridxc-test2 -Scanning dependencies of target libgridxc-test_hse06 +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' 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". +Scanning dependencies of target libgridxc-test1 +Scanning dependencies of target libgridxc-test6 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' -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". 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-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build -Scanning dependencies of target libgridxc-test6 -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build Scanning dependencies of target libgridxc-test_match +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[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-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build +Scanning dependencies of target libgridxc-test2 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 -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' +Scanning dependencies of target libgridxc-test_hse06 make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' 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/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". -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]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +Scanning dependencies of target libgridxc-test_libxc 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]: 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 -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-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build -Scanning dependencies of target libgridxc-test_libxc -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 -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]: Entering 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-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' -[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o -[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o -[ 74%] 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/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_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o -[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o +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". +[ 66%] 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 -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 +[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o +Scanning dependencies of target libgridxc-test_libxc2 +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/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 -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_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' +[ 70%] 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 +[ 72%] Building Fortran object Testers/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_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o -[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o +[ 76%] 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 +[ 78%] Building Fortran object Testers/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/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/test_hse06.F90 -o 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/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o +[ 82%] 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 +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 [ 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 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 +[ 88%] Linking Fortran executable libgridxc-test2 +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 [ 90%] Linking Fortran executable libgridxc-test_libxc2 -[ 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_libxc.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_libxc2.dir/link.txt --verbose=1 -[ 92%] Linking Fortran executable libgridxc-test2 -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 /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' /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 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +[ 92%] 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 [ 92%] Built target libgridxc-test_match -[ 94%] Linking Fortran executable libgridxc-test6 -[ 94%] Built target 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-test6.dir/link.txt --verbose=1 -/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' +[ 92%] Built target libgridxc-test_hse06 /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 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' -[ 94%] Built target libgridxc-test_libxc /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 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu' +[ 94%] Linking Fortran executable libgridxc-test6 +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 [ 94%] Built target libgridxc-test_libxc2 -[ 96%] Linking Fortran executable libgridxc-test4 -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 -[ 96%] Built target libgridxc-test2 -/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 +[ 94%] Built target libgridxc-test2 +/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' -[ 96%] Built target libgridxc-test6 -/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 +[ 94%] Built target libgridxc-test_libxc +/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' -[ 96%] Built target libgridxc-test4 -[ 98%] Linking Fortran executable libgridxc-test1 +[ 94%] Built target libgridxc-test6 +[ 96%] 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-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 +[ 98%] Linking Fortran executable libgridxc-test4 +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-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-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 +/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' +[100%] Built target libgridxc-test4 +[100%] Built target libgridxc-test1 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test3.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-test3.dir/test3.F90.o" -o libgridxc-test3 ../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' [100%] Built target libgridxc-test3 @@ -954,6 +990,10 @@ 1: LDA PW92 0 4 Ex -0.001071693 -0.001071690 0.000000003 0 1: LDA PW92 0 4 Ec 0.000348138 0.000348137 0.000000001 0 1: +3: +3: funcs= VDW +3: auths= BH +3: nMesh, Ecut = 9 18 27 30.000000 1: GGA PW91 0 1 Ex -0.343346270 -0.786626733 0.443280463 2 1: GGA PW91 0 1 Ec -0.005089757 -0.005089757 0.000000000 0 1: GGA PW91 1 1 Ex 0.000403742 0.000403742 0.000000000 0 @@ -1499,6 +1539,76 @@ 1: GGA RPBE 0 1 Ex -0.517701606 -0.502360057 0.015341549 2 1: GGA RPBE 0 2 Ex -0.429811871 -0.445153445 0.015341573 2 1: GGA RPBE 0 3 Ex -0.003617850 -0.069401435 0.065783585 2 +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 +8: -0.80607 -0.77656 -0.74603 -0.71470 -0.68279 -0.65051 +8: -0.61802 -0.58545 -0.55282 -0.52008 -0.48700 -0.45324 +8: -0.41844 -0.38252 -0.34600 -0.31022 -0.27707 -0.24843 +8: -0.22532 -0.20763 -0.19419 -0.18334 -0.17351 -0.16357 +8: -0.15296 -0.14156 -0.12960 -0.11739 -0.10531 -0.09365 +8: -0.08265 -0.07245 -0.06313 -0.05471 -0.04719 -0.04052 +8: -0.03465 -0.02951 -0.02503 -0.02116 -0.01782 -0.01496 +8: -0.01251 -0.01042 -0.00866 -0.00716 -0.00591 -0.00486 +8: -0.00398 -0.00325 -0.00264 -0.00214 -0.00173 -0.00139 +8: -0.00111 -0.00089 -0.00071 -0.00056 -0.00044 -0.00036 +8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.92037 +8: -0.91931 -0.91613 -0.90854 -0.89988 -0.88741 -0.87337 +8: -0.85662 -0.83789 -0.81715 -0.79463 -0.77050 -0.74495 +8: -0.71817 -0.69034 -0.66163 -0.63222 -0.60226 -0.57188 +8: -0.54118 -0.51023 -0.47903 -0.44749 -0.41547 -0.38286 +8: -0.34979 -0.31687 -0.28531 -0.25662 -0.23208 -0.21218 +8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 +8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 +8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 +8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 +8: -0.00911 -0.00756 -0.00626 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-0.01251 -0.01042 -0.00866 -0.00716 -0.00591 -0.00486 +8: -0.00398 -0.00325 -0.00264 -0.00214 -0.00173 -0.00139 +8: -0.00111 -0.00089 -0.00071 -0.00056 -0.00044 -0.00035 +8: -0.00027 -0.00021 -0.00017 -0.00013 -0.00010 -0.00008 +8: -0.00006 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 0.00000 0.00000 +8: 0.00000 0.00000 0.00000 0.00000 0.00000 -0.92037 +8: -0.91931 -0.91613 -0.90854 -0.89988 -0.88741 -0.87337 +8: -0.85661 -0.83789 -0.81715 -0.79463 -0.77050 -0.74495 +8: -0.71817 -0.69034 -0.66163 -0.63222 -0.60226 -0.57188 +8: -0.54118 -0.51023 -0.47903 -0.44749 -0.41547 -0.38286 +8: -0.34979 -0.31687 -0.28531 -0.25662 -0.23208 -0.21218 +8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 +8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 +8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 +8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 +8: -0.00911 -0.00756 -0.00626 -0.00516 -0.00424 -0.00347 +8: -0.00283 -0.00231 -0.00187 -0.00151 -0.00121 -0.00097 +8: -0.00078 -0.00062 -0.00049 -0.00039 -0.00030 -0.00024 +8: -0.00019 -0.00014 -0.00011 -0.00009 -0.00007 -0.00005 +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 0.00000 0.00000 +8: 0.00000 0.00000 0.00000 0.00000 1: GGA RPBE 0 4 Ex 0.007555280 0.065288017 0.057732736 2 1: GGA revPBE 0 1 Ex -0.482925882 -0.466030676 0.016895206 2 1: GGA revPBE 0 2 Ex -0.528650106 -0.545545337 0.016895232 2 @@ -1743,125 +1853,6 @@ 1: GGA B88 0 1 Ex -0.119323107 -0.513822115 0.394499008 2 1: GGA B88 0 2 Ex -0.108685206 0.285813817 0.394499024 2 1: GGA B88 0 3 Ex 0.002062288 -1.478757760 1.480820048 2 -3: -3: funcs= VDW -3: auths= BH -3: nMesh, Ecut = 9 18 27 30.000000 -6: dr, rMax = 0.200000 20.000000 -6: iSpin r dens Vxc dExc/dDens diff -6: 1 0.000 0.047620227 -1.002697110 -6: 1 0.200 0.047382720 -1.001038284 -1.001038551 0.000000268 -6: 1 0.400 0.046677283 -0.996061805 -0.996061921 0.000000116 -6: 1 0.600 0.045524817 -0.988809470 -0.988809466 -0.000000004 -6: 1 0.800 0.043959010 -0.977974562 -0.977974564 0.000000002 -6: 1 1.000 0.042024703 -0.964863927 -0.964863941 0.000000014 -6: 1 1.200 0.039775757 -0.948686877 -0.948686883 0.000000006 -6: 1 1.400 0.037272568 -0.930171029 -0.930171028 -0.000000001 -6: 1 1.600 0.034579382 -0.909220984 -0.909220986 0.000000002 -6: 1 1.800 0.031761587 -0.886131875 -0.886131875 0.000000000 -6: 1 2.000 0.028883127 -0.861091739 -0.861091737 -0.000000002 -6: 1 2.200 0.026004187 -0.834328425 -0.834328420 -0.000000004 -6: 1 2.400 0.023179251 -0.806073217 -0.806073215 -0.000000003 -6: 1 2.600 0.020455616 -0.776561113 -0.776561113 -0.000000000 -6: 1 2.800 0.017872394 -0.746026275 -0.746026278 0.000000003 -6: 1 3.000 0.015460016 -0.714697437 -0.714697441 0.000000004 -6: 1 3.200 0.013240188 -0.682792452 -0.682792451 -0.000000001 -6: 1 3.400 0.011226266 -0.650510776 -0.650510775 -0.000000001 -6: 1 3.600 0.009423960 -0.618021733 -0.618021732 -0.000000000 -6: 1 3.800 0.007832284 -0.585445444 -0.585445442 -0.000000001 -6: 1 4.000 0.006444664 -0.552823710 -0.552823709 -0.000000001 -7: dr, rMax = 0.200000 20.000000 -7: iSpin r dens Vxc dExc/dDens diff -7: 1 0.000 0.047620227 -0.980238765 -7: 1 0.200 0.047382720 -0.982776277 -0.982776165 -0.000000112 -7: 1 0.400 0.046677283 -0.990388812 -0.990388989 0.000000177 -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 -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 -8: -0.80607 -0.77656 -0.74603 -0.71470 -0.68279 -0.65051 -8: -0.61802 -0.58545 -0.55282 -0.52008 -0.48700 -0.45324 -8: -0.41844 -0.38252 -0.34600 -0.31022 -0.27707 -0.24843 -8: -0.22532 -0.20763 -0.19419 -0.18334 -0.17351 -0.16357 -8: -0.15296 -0.14156 -0.12960 -0.11739 -0.10531 -0.09365 -8: -0.08265 -0.07245 -0.06313 -0.05471 -0.04719 -0.04052 -8: -0.03465 -0.02951 -0.02503 -0.02116 -0.01782 -0.01496 -8: -0.01251 -0.01042 -0.00866 -0.00716 -0.00591 -0.00486 -8: -0.00398 -0.00325 -0.00264 -0.00214 -0.00173 -0.00139 -8: -0.00111 -0.00089 -0.00071 -0.00056 -0.00044 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.92037 -8: -0.91931 -0.91613 -0.90854 -0.89988 -0.88741 -0.87337 -8: -0.85662 -0.83789 -0.81715 -0.79463 -0.77050 -0.74495 -8: -0.71817 -0.69034 -0.66163 -0.63222 -0.60226 -0.57188 -8: -0.54118 -0.51023 -0.47903 -0.44749 -0.41547 -0.38286 -8: -0.34979 -0.31687 -0.28531 -0.25662 -0.23208 -0.21218 -8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 -8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 -8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 -8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 -8: -0.00911 -0.00756 -0.00626 -0.00516 -0.00424 -0.00347 -8: -0.00283 -0.00231 -0.00187 -0.00151 -0.00121 -0.00097 -8: -0.00078 -0.00062 -0.00049 -0.00039 -0.00036 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -8: Ex, Ec: -4.3915185633273763 -0.63516344579004580 -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 -8: -0.80607 -0.77656 -0.74603 -0.71470 -0.68279 -0.65051 -8: -0.61802 -0.58545 -0.55282 -0.52008 -0.48700 -0.45324 -8: -0.41844 -0.38252 -0.34600 -0.31022 -0.27707 -0.24843 -8: -0.22532 -0.20763 -0.19419 -0.18334 -0.17351 -0.16357 -8: -0.15296 -0.14156 -0.12960 -0.11739 -0.10531 -0.09365 -8: -0.08265 -0.07245 -0.06313 -0.05471 -0.04719 -0.04052 -8: -0.03465 -0.02951 -0.02503 -0.02116 -0.01782 -0.01496 -8: -0.01251 -0.01042 -0.00866 -0.00716 -0.00591 -0.00486 -8: -0.00398 -0.00325 -0.00264 -0.00214 -0.00173 -0.00139 -8: -0.00111 -0.00089 -0.00071 -0.00056 -0.00044 -0.00035 -8: -0.00027 -0.00021 -0.00017 -0.00013 -0.00010 -0.00008 -8: -0.00006 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 0.00000 0.00000 -8: 0.00000 0.00000 0.00000 0.00000 0.00000 -0.92037 -8: -0.91931 -0.91613 -0.90854 -0.89988 -0.88741 -0.87337 -8: -0.85661 -0.83789 -0.81715 -0.79463 -0.77050 -0.74495 -8: -0.71817 -0.69034 -0.66163 -0.63222 -0.60226 -0.57188 -8: -0.54118 -0.51023 -0.47903 -0.44749 -0.41547 -0.38286 -8: -0.34979 -0.31687 -0.28531 -0.25662 -0.23208 -0.21218 -8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 -8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 -8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 -8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 -8: -0.00911 -0.00756 -0.00626 -0.00516 -0.00424 -0.00347 -8: -0.00283 -0.00231 -0.00187 -0.00151 -0.00121 -0.00097 -8: -0.00078 -0.00062 -0.00049 -0.00039 -0.00030 -0.00024 -8: -0.00019 -0.00014 -0.00011 -0.00009 -0.00007 -0.00005 -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 0.00000 0.00000 -8: 0.00000 0.00000 0.00000 0.00000 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 @@ -2370,6 +2361,52 @@ 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 +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 +6: dr, rMax = 0.200000 20.000000 +6: iSpin r dens Vxc dExc/dDens diff +6: 1 0.000 0.047620227 -1.002697110 +6: 1 0.200 0.047382720 -1.001038284 -1.001038551 0.000000268 +6: 1 0.400 0.046677283 -0.996061805 -0.996061921 0.000000116 +6: 1 0.600 0.045524817 -0.988809470 -0.988809466 -0.000000004 +6: 1 0.800 0.043959010 -0.977974562 -0.977974564 0.000000002 +6: 1 1.000 0.042024703 -0.964863927 -0.964863941 0.000000014 +6: 1 1.200 0.039775757 -0.948686877 -0.948686883 0.000000006 +6: 1 1.400 0.037272568 -0.930171029 -0.930171028 -0.000000001 +6: 1 1.600 0.034579382 -0.909220984 -0.909220986 0.000000002 +6: 1 1.800 0.031761587 -0.886131875 -0.886131875 0.000000000 +6: 1 2.000 0.028883127 -0.861091739 -0.861091737 -0.000000002 +6: 1 2.200 0.026004187 -0.834328425 -0.834328420 -0.000000004 +6: 1 2.400 0.023179251 -0.806073217 -0.806073215 -0.000000003 +6: 1 2.600 0.020455616 -0.776561113 -0.776561113 -0.000000000 +6: 1 2.800 0.017872394 -0.746026275 -0.746026278 0.000000003 +6: 1 3.000 0.015460016 -0.714697437 -0.714697441 0.000000004 +6: 1 3.200 0.013240188 -0.682792452 -0.682792451 -0.000000001 +6: 1 3.400 0.011226266 -0.650510776 -0.650510775 -0.000000001 +6: 1 3.600 0.009423960 -0.618021733 -0.618021732 -0.000000000 +6: 1 3.800 0.007832284 -0.585445444 -0.585445442 -0.000000001 +6: 1 4.000 0.006444664 -0.552823710 -0.552823709 -0.000000001 +6: 1 4.200 0.005250115 -0.520082870 -0.520082869 -0.000000001 +6: 1 4.400 0.004234421 -0.487004137 -0.487004138 0.000000001 +6: 1 4.600 0.003381238 -0.453240679 -0.453240680 0.000000001 +6: 1 4.800 0.002673091 -0.418441530 -0.418441529 -0.000000001 +6: 1 5.000 0.002092223 -0.382520889 -0.382520888 -0.000000000 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 @@ -2449,51 +2486,6 @@ 1: GGA PBEJsJrLO 0 4 Ex 0.039630845 0.105505342 0.065874497 2 1: GGA PBEJsJrHEG 0 1 Ex -0.963028591 -0.946479679 0.016548912 2 1: GGA PBEJsJrHEG 0 2 Ex -0.750529874 -0.767078790 0.016548916 2 -6: 1 4.200 0.005250115 -0.520082870 -0.520082869 -0.000000001 -6: 1 4.400 0.004234421 -0.487004137 -0.487004138 0.000000001 -6: 1 4.600 0.003381238 -0.453240679 -0.453240680 0.000000001 -6: 1 4.800 0.002673091 -0.418441530 -0.418441529 -0.000000001 -6: 1 5.000 0.002092223 -0.382520889 -0.382520888 -0.000000000 -6: 1 5.200 0.001621280 -0.346003183 -0.346003183 -0.000000000 -6: 1 5.400 0.001243837 -0.310216436 -0.310216435 -0.000000000 -9: Built-in Ex, Ec, sum: -4.35557595 -0.64530376 -5.00087971 -9: -0.96381 -0.96241 -0.95818 -0.95085 -0.94096 -0.92821 -9: -0.91301 -0.89533 -0.87543 -0.85345 -0.82960 -0.80409 -9: -0.77712 -0.74892 -0.71968 -0.68963 -0.65894 -0.62781 -9: -0.59638 -0.56477 -0.53302 -0.50110 -0.46885 -0.43600 -9: -0.40231 -0.36779 -0.33297 -0.29914 -0.26803 -0.24125 -9: -0.21962 -0.20283 -0.18970 -0.17872 -0.16848 -0.15809 -9: -0.14712 -0.13555 -0.12361 -0.11161 -0.09987 -0.08863 -9: -0.07810 -0.06838 -0.05953 -0.05157 -0.04446 -0.03816 -9: -0.03262 -0.02778 -0.02356 -0.01992 -0.01677 -0.01408 -9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 -9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 -9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: libxc Ex, Ec, sum: -2.09822342 -2.09822342 -4.19644685 -9: -0.77367 -0.77146 -0.76482 -0.76250 -0.75239 -0.74512 -9: -0.73278 -0.72042 -0.70583 -0.69001 -0.67289 -0.65467 -9: -0.63545 -0.61533 -0.59429 -0.57225 -0.54897 -0.52411 -9: -0.49730 -0.46848 -0.43849 -0.40992 -0.38698 -0.37290 -9: -0.36315 -0.34398 -0.30778 -0.26529 -0.23213 -0.21168 -9: -0.19843 -0.18753 -0.17708 -0.16672 -0.15639 -0.14595 -9: -0.13516 -0.12347 -0.11059 -0.10133 -0.09618 -0.08875 -9: -0.07873 -0.06891 -0.05991 -0.05182 -0.04462 -0.03827 -9: -0.03269 -0.02782 -0.02359 -0.01993 -0.01678 -0.01408 -9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 -9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 -9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00033 -9: -0.00026 -0.00020 -0.00016 -0.00012 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 -1/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec -2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec 1: GGA PBEJsJrHEG 0 3 Ex -0.054447239 -0.011450873 0.042996366 2 1: GGA PBEJsJrHEG 0 4 Ex 0.064914555 0.128064400 0.063149846 2 1: GGA PBEGcGxLO 0 1 Ex -0.976676945 -0.961959713 0.014717231 2 @@ -2822,28 +2814,6 @@ 1: GGA PBESOL 0 4 Ex 0.003574689 0.123337216 0.119762527 2 1: GGA AM05 0 1 Ex -0.224991994 -0.256915207 0.031923212 2 1: GGA AM05 0 1 Ec -0.050874838 -0.046011579 0.004863258 2 -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 -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 1: GGA AM05 0 2 Ex -0.296308338 -0.264385126 0.031923212 2 1: GGA AM05 0 2 Ec -0.041148870 -0.046012128 0.004863258 2 1: GGA AM05 0 3 Ex -0.019850741 -0.135716902 0.115866161 2 @@ -2982,6 +2952,37 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.971696043 -0.043802850 0.927893192 2 1: GGA PBEJsJrLO 0 3 Ex -0.048484902 2.493109200 2.541594102 2 1: GGA PBEJsJrLO 0 4 Ex -0.025143945 -2.030242592 2.005098647 2 +6: 1 5.200 0.001621280 -0.346003183 -0.346003183 -0.000000000 +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 +1/9 Test #8: libgridxc_test_match ............. Passed 0.04 sec +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 +7: dr, rMax = 0.200000 20.000000 +7: iSpin r dens Vxc dExc/dDens diff +7: 1 0.000 0.047620227 -0.980238765 +7: 1 0.200 0.047382720 -0.982776277 -0.982776165 -0.000000112 +7: 1 0.400 0.046677283 -0.990388812 -0.990388989 0.000000177 +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 1: GGA PBEJsJrHEG 0 1 Ex -1.170870730 -1.751060606 0.580189876 2 1: GGA PBEJsJrHEG 0 2 Ex -1.024194808 -0.444004948 0.580189861 2 1: GGA PBEJsJrHEG 0 3 Ex -0.045313270 1.623303313 1.668616582 2 @@ -3014,14 +3015,12 @@ 1: GGA B88 0 2 Ex -0.926515955 1.015227822 1.941743776 2 1: GGA B88 0 3 Ex -0.000090556 4.866185471 4.866276027 2 1: GGA B88 0 4 Ex -0.000046961 -3.323712118 3.323665156 2 -6: 1 7.400 0.000050669 -0.141563831 -0.141563835 0.000000004 1: GGA C09 0 1 Ex -0.782221613 -2.693263419 1.911041806 2 1: GGA C09 0 2 Ex -0.860898675 1.050143115 1.911041789 2 1: GGA C09 0 3 Ex 0.024306068 4.691878062 4.667571994 2 1: GGA C09 0 4 Ex 0.012604964 -3.023717701 3.036322665 2 1: GGA BH 0 1 Ex -1.088572010 -2.377237432 1.288665422 2 1: GGA BH 0 2 Ex -0.820530670 0.468134736 1.288665406 2 -7: 1 6.600 0.000205559 -0.178797194 -0.178797196 0.000000002 1: GGA BH 0 3 Ex -0.082807249 3.443148334 3.525955583 2 1: GGA BH 0 4 Ex -0.042943284 -2.820254207 2.777310922 2 1: @@ -3031,7 +3030,6 @@ 1: 3 0.316913978 -6.678499679 4.915710294 -1.225861232 1: 4 -0.103885306 5.424327432 -1.587601708 5.399617806 1: GGA PW91 0 1 Ex -1.407682344 -1.533514665 0.125832321 2 -6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 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 1: GGA PW91 0 4 Ex -0.104710151 -0.241575405 0.136865254 2 @@ -3056,8 +3054,6 @@ 1: GGA LYP 0 4 Ex 0.036626160 0.046592552 0.009966392 2 1: GGA LYP 0 4 Ec -0.029236245 -0.098277211 0.069040966 2 1: GGA WC 0 1 Ex -1.297803857 -1.336234480 0.038430623 2 -6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 -7: 1 6.800 0.000147033 -0.170379794 -0.170379797 0.000000004 1: GGA WC 0 2 Ex -1.386442844 -1.348012207 0.038430638 2 1: GGA WC 0 3 Ex 0.046267390 0.065561769 0.019294379 2 1: GGA WC 0 4 Ex -0.015166582 -0.068608165 0.053441582 2 @@ -3069,7 +3065,6 @@ 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: 1 8.000 0.000015954 -0.105308033 -0.105308040 0.000000007 1: GGA PBEGcGxLO 0 1 Ex -1.288218733 -1.312913191 0.024694458 2 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 @@ -3077,7 +3072,6 @@ 1: GGA PBEGcGxHEG 0 1 Ex -1.274292783 -1.301910795 0.027618012 2 1: GGA PBEGcGxHEG 0 2 Ex -1.235313801 -1.207695775 0.027618026 2 1: GGA PBEGcGxHEG 0 3 Ex -0.020346078 -0.006545777 0.013800301 2 -7: 1 7.000 0.000104122 -0.165839032 -0.165839041 0.000000009 1: GGA PBEGcGxHEG 0 4 Ex 0.006669502 -0.031935985 0.038605487 2 1: GGA PBESOL 0 1 Ex -1.288218733 -1.312913191 0.024694458 2 1: GGA PBESOL 0 2 Ex -1.322130147 -1.297435675 0.024694472 2 @@ -3089,7 +3083,6 @@ 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: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 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 @@ -3117,8 +3110,6 @@ 1: GGA PW91 0 1 Ex -1.533565135 -1.647738008 0.114172873 2 1: GGA PW91 0 2 Ex -1.529406460 -1.415233555 0.114172905 2 1: GGA PW91 0 3 Ex 0.018633635 0.015543223 0.003090412 2 -6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000012 -7: 1 7.200 0.000072999 -0.163810071 -0.163810083 0.000000013 1: GGA PW91 0 4 Ex -0.005997962 0.023981914 0.029979876 2 1: GGA PBE 0 1 Ex -1.436597500 -1.545031913 0.108434413 2 1: GGA PBE 0 2 Ex -1.449929928 -1.341495482 0.108434446 2 @@ -3151,7 +3142,6 @@ 1: GGA PBEJsJrHEG 0 1 Ex -1.387487683 -1.462223934 0.074736250 2 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 -6: 1 8.600 0.000004589 -0.072448262 -0.072448276 0.000000013 1: GGA PBEJsJrHEG 0 4 Ex 0.039416517 0.069426990 0.030010473 2 1: GGA PBEGcGxLO 0 1 Ex -1.350789145 -1.411325738 0.060536593 2 1: GGA PBEGcGxLO 0 2 Ex -1.386140342 -1.325603717 0.060536625 2 @@ -3345,25 +3335,6 @@ 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 -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 -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 1: 1: iSpin dens gradDens 1: 1 0.177124294 -0.670492594 1.656125741 -0.431571635 @@ -3434,8 +3405,6 @@ 1: GGA B88 0 2 Ex -0.643139139 -0.217866377 0.425272762 2 1: GGA B88 0 3 Ex 0.006313615 0.074696559 0.068382944 2 1: GGA B88 0 4 Ex 0.022667169 0.193223877 0.170556708 2 -6: 1 10.800 0.000000022 -0.012508831 -0.012508780 -0.000000052 -6: 1 11.000 0.000000013 -0.010424505 -0.010424510 0.000000004 1: GGA C09 0 1 Ex -0.525889325 -0.947527005 0.421637680 2 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 @@ -3471,8 +3440,6 @@ 1: GGA LYP 0 2 Ex -1.070658915 -1.570883652 0.500224737 2 1: GGA LYP 0 2 Ec -0.066626576 -0.030683950 0.035942626 2 1: GGA LYP 0 3 Ex -0.110254066 -0.194548535 0.084294469 2 -7: 1 9.200 0.000001206 -0.043402831 -0.043404135 0.000001304 -7: 1 9.400 0.000000757 -0.038686660 -0.038688834 0.000002175 1: GGA LYP 0 3 Ec 0.022516197 0.029659110 0.007142913 2 1: GGA LYP 0 4 Ex 0.107558688 -0.278901478 0.386460167 2 1: GGA LYP 0 4 Ec -0.021965744 0.006915885 0.028881629 2 @@ -3507,13 +3474,10 @@ 1: GGA AM05 0 3 Ex -0.146012417 -0.187714448 0.041702030 2 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 -6: 1 11.200 0.000000007 -0.008657220 -0.008657187 -0.000000033 -6: 1 11.400 0.000000004 -0.007164525 -0.007164538 0.000000013 1: GGA AM05 0 4 Ec -0.007223447 -0.000062885 0.007160563 2 1: GGA PW86 0 1 Ex -1.059067755 -0.628247387 0.430820367 2 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 -7: 1 9.600 0.000000470 -0.034934582 -0.034936830 0.000002248 1: GGA PW86 0 4 Ex 0.027262666 -0.303336155 0.330598820 2 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 @@ -3524,13 +3488,77 @@ 1: GGA C09 0 3 Ex -0.162807355 -0.232980438 0.070173083 2 1: GGA C09 0 4 Ex 0.158827209 -0.157847126 0.316674336 2 1: GGA BH 0 1 Ex -0.890408179 -0.466983679 0.423424500 2 -6: 1 11.600 0.000000002 -0.005908554 -0.005908549 -0.000000005 1: GGA BH 0 2 Ex -1.061964540 -1.485389034 0.423424494 2 1: GGA BH 0 3 Ex -0.146586064 -0.219377685 0.072791621 2 1: GGA BH 0 4 Ex 0.143002480 -0.185598955 0.328601435 2 1: 1: iSpin dens gradDens 1: 1 0.000649923 -0.000062901 -0.000795988 -0.000240410 +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 +2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.06 sec +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 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-0.043421253 -0.122051097 0.078629844 2 1: GGA WC 0 4 Ex 0.095722817 0.162462863 0.066740046 2 1: GGA PBEJsJrLO 0 1 Ex -1.227818118 -1.304884467 0.077066349 2 1: GGA PBEJsJrLO 0 2 Ex -1.493773989 -1.416707671 0.077066317 2 -7: 2 5.600 0.000629844 -0.252923338 -0.252923338 -0.000000000 1: GGA PBEJsJrLO 0 3 Ex -0.044551559 -0.124725122 0.080173562 2 1: GGA PBEJsJrLO 0 4 Ex 0.098214593 0.166190885 0.067976292 2 1: GGA PBEJsJrHEG 0 1 Ex -1.225568912 -1.290100592 0.064531681 2 @@ -4529,7 +4483,6 @@ 1: GGA PBEGcGxLO 0 1 Ex -1.177545982 -1.246858864 0.069312882 2 1: GGA PBEGcGxLO 0 2 Ex -1.499840037 -1.430527186 0.069312851 2 1: GGA PBEGcGxLO 0 3 Ex -0.053989042 -0.124497106 0.070508064 2 -6: 2 11.000 0.000000008 -0.009107337 -0.009107277 -0.000000060 1: GGA PBEGcGxLO 0 4 Ex 0.119019668 0.180882541 0.061862873 2 1: GGA PBEGcGxHEG 0 1 Ex -1.192219192 -1.250169385 0.057950194 2 1: GGA PBEGcGxHEG 0 2 Ex -1.510969833 -1.453019670 0.057950163 2 @@ -4539,10 +4492,8 @@ 1: GGA PBESOL 0 2 Ex -1.499840037 -1.430527186 0.069312851 2 1: GGA PBESOL 0 3 Ex -0.053989042 -0.124497106 0.070508064 2 1: GGA PBESOL 0 4 Ex 0.119019668 0.180882541 0.061862873 2 -7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000001 1: GGA AM05 0 1 Ex -0.864682178 -0.921996436 0.057314258 2 1: GGA AM05 0 1 Ec -0.120111406 -0.118083219 0.002028187 2 -6: 2 11.200 0.000000005 -0.007563161 -0.007563144 -0.000000017 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 1: GGA AM05 0 3 Ex -0.104716676 -0.152527614 0.047810938 2 @@ -4559,11 +4510,9 @@ 1: GGA B88 0 4 Ex 0.182243874 0.305157343 0.122913469 2 1: GGA C09 0 1 Ex -0.935169856 -1.024894169 0.089724313 2 1: GGA C09 0 2 Ex -1.476381645 -1.386657360 0.089724285 2 -6: 2 11.400 0.000000003 -0.006258998 -0.006258965 -0.000000033 1: GGA C09 0 3 Ex -0.090661014 -0.170382266 0.079721252 2 1: GGA C09 0 4 Ex 0.199863592 0.285183350 0.085319758 2 1: GGA BH 0 1 Ex -1.220340441 -1.292043027 0.071702586 2 -7: 2 6.000 0.000352629 -0.215702309 -0.215702310 0.000000001 1: GGA BH 0 2 Ex -1.506067617 -1.434365059 0.071702558 2 1: GGA BH 0 3 Ex -0.047863546 -0.117394525 0.069530978 2 1: GGA BH 0 4 Ex 0.105515920 0.171057563 0.065541643 2 @@ -4576,8 +4525,6 @@ 1: GGA PW91 0 1 Ex -1.096554614 -1.263884808 0.167330194 2 1: GGA PW91 0 2 Ex -1.056053191 -0.888722991 0.167330200 2 1: GGA PW91 0 3 Ex -0.038190918 0.017789786 0.055980704 2 -6: 2 11.600 0.000000002 -0.005161710 -0.005161524 -0.000000187 -6: avgDiffVxc, maxDiffVxc = 0.000000036 0.000000268 1: GGA PW91 0 4 Ex -0.002741894 0.453366887 0.456108781 2 1: GGA PBE 0 1 Ex -1.087369393 -1.252945701 0.165576308 2 1: GGA PBE 0 2 Ex -1.057921138 -0.892344824 0.165576314 2 @@ -4588,7 +4535,6 @@ 1: GGA RPBE 0 3 Ex 0.036776291 0.105386105 0.068609813 2 1: GGA RPBE 0 4 Ex 0.002640332 0.565952897 0.563312565 2 1: GGA revPBE 0 1 Ex -1.030488417 -1.260241127 0.229752710 2 -7: 2 6.200 0.000259921 -0.200780146 -0.200780147 0.000000001 1: GGA revPBE 0 2 Ex -0.988691869 -0.758939154 0.229752715 2 1: GGA revPBE 0 3 Ex -0.039412159 0.037734609 0.077146768 2 1: GGA revPBE 0 4 Ex -0.002829573 0.619496021 0.622325594 2 @@ -4609,7 +4555,6 @@ 1: GGA PBEJsJrLO 0 3 Ex -0.072463009 -0.021726009 0.050736999 2 1: GGA PBEJsJrLO 0 4 Ex -0.005202439 0.405009463 0.410211902 2 1: GGA PBEJsJrHEG 0 1 Ex -1.102262457 -1.216036187 0.113773730 2 -3/9 Test #6: libgridxc_test_libxc ............. Passed 0.03 sec 1: GGA PBEJsJrHEG 0 2 Ex -1.031050010 -0.917276275 0.113773736 2 1: GGA PBEJsJrHEG 0 3 Ex -0.067149954 -0.029162980 0.037986974 2 1: GGA PBEJsJrHEG 0 4 Ex -0.004820991 0.306366280 0.311187271 2 @@ -4643,8 +4588,6 @@ 1: GGA B88 0 4 Ex -0.010119707 0.632332612 0.642452318 2 1: GGA C09 0 1 Ex -0.987662619 -1.191484077 0.203821457 2 1: GGA C09 0 2 Ex -0.772714424 -0.568892962 0.203821462 2 -7: 2 6.400 0.000189678 -0.188871729 -0.188871731 0.000000002 -7: 2 6.600 0.000137039 -0.180551188 -0.180551190 0.000000003 1: GGA C09 0 3 Ex -0.202685937 -0.133347325 0.069338612 2 1: GGA C09 0 4 Ex -0.014551717 0.525011472 0.539563189 2 1: GGA BH 0 1 Ex -1.038982922 -1.212647187 0.173664265 2 @@ -4661,7 +4604,6 @@ 1: GGA PW91 0 2 Ex -0.791245379 -0.781686624 0.009558755 2 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 -7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 1: GGA PBE 0 1 Ex -1.056435708 -1.057567722 0.001132014 2 1: GGA PBE 0 2 Ex -1.053017606 -1.051885580 0.001132026 2 1: GGA PBE 0 3 Ex 0.055974468 0.168242048 0.112267580 2 @@ -4684,7 +4626,6 @@ 1: GGA LYP 0 4 Ec -0.039461857 -0.109351659 0.069889803 2 1: GGA WC 0 1 Ex -1.079881082 -1.080509515 0.000628433 2 1: GGA WC 0 2 Ex -1.075236977 -1.074608531 0.000628446 2 -7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000015 1: GGA WC 0 3 Ex 0.076051371 0.156311177 0.080259807 2 1: GGA WC 0 4 Ex 0.079307548 0.002324608 0.076982940 2 1: GGA PBEJsJrLO 0 1 Ex -1.062622145 -1.063304124 0.000681979 2 @@ -4700,7 +4641,6 @@ 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 -7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 1: GGA PBEGcGxHEG 0 2 Ex -1.004588254 -1.003976414 0.000611841 2 1: GGA PBEGcGxHEG 0 3 Ex 0.117615411 0.185030931 0.067415520 2 1: GGA PBEGcGxHEG 0 4 Ex 0.122651174 0.057985651 0.064665522 2 @@ -4721,7 +4661,6 @@ 1: GGA PW86 0 3 Ex 0.051617877 0.192898063 0.141280186 2 1: GGA PW86 0 4 Ex 0.053827922 -0.081227252 0.135055174 2 1: GGA B88 0 1 Ex -0.985563953 -0.932378924 0.053185028 2 -7: 2 7.400 0.000033779 -0.163293898 -0.163293894 -0.000000004 1: GGA B88 0 2 Ex -0.978656386 -1.031841407 0.053185020 2 1: GGA B88 0 3 Ex 0.113117576 0.264062582 0.150945006 2 1: GGA B88 0 4 Ex 0.117960761 -0.025229604 0.143190365 2 @@ -4743,7 +4682,6 @@ 1: GGA PW91 0 2 Ex -1.006703515 0.192818638 1.199522153 2 1: GGA PW91 0 3 Ex -0.020199632 -3.198124774 3.177925141 2 1: GGA PW91 0 4 Ex 0.004799580 -5.159058005 5.163857585 2 -7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 1: GGA PBE 0 1 Ex -0.931104600 -1.980772687 1.049668087 2 1: GGA PBE 0 2 Ex -1.041722988 0.007945102 1.049668090 2 1: GGA PBE 0 3 Ex -0.034006229 -2.945316467 2.911310238 2 @@ -4765,7 +4703,6 @@ 1: GGA LYP 0 4 Ex -0.000818785 -5.927546933 5.926728148 2 1: GGA LYP 0 4 Ec 0.009375816 0.286732589 0.277356773 2 1: GGA WC 0 1 Ex -0.963659656 -2.193252029 1.229592373 2 -7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 1: GGA WC 0 2 Ex -0.942072681 0.287519695 1.229592376 2 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 @@ -4785,7 +4722,6 @@ 1: GGA PBEGcGxHEG 0 2 Ex -1.016142258 -0.281748813 0.734393446 2 1: GGA PBEGcGxHEG 0 3 Ex -0.016913773 -1.976312973 1.959399200 2 1: GGA PBEGcGxHEG 0 4 Ex 0.004018836 -3.215367422 3.219386257 2 -7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 1: GGA PBESOL 0 1 Ex -0.945328991 -1.983839761 1.038510770 2 1: GGA PBESOL 0 2 Ex -0.959754447 0.078756326 1.038510773 2 1: GGA PBESOL 0 3 Ex -0.004434664 -2.627377711 2.622943047 2 @@ -4807,7 +4743,6 @@ 1: GGA B88 0 3 Ex 0.003467002 -4.010025818 4.013492820 2 1: GGA B88 0 4 Ex -0.000823785 -5.925398961 5.924575176 2 1: GGA C09 0 1 Ex -0.933284877 -2.481507514 1.548222637 2 -7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 1: GGA C09 0 2 Ex -0.817706665 0.730515974 1.548222639 2 1: GGA C09 0 3 Ex 0.035530975 -3.553103078 3.588634053 2 1: GGA C09 0 4 Ex -0.008442419 -4.513934150 4.505491731 2 @@ -4830,12 +4765,36 @@ 1: GGA PBE 0 3 Ex 0.050407008 0.185971893 0.135564884 2 1: GGA PBE 0 4 Ex 0.049510405 -0.086855851 0.136366257 2 1: GGA RPBE 0 1 Ex -0.951218260 -0.883567389 0.067650871 2 -7: 2 8.400 0.000004681 -0.075347142 -0.075346959 -0.000000183 1: GGA RPBE 0 2 Ex -0.944274328 -1.011925190 0.067650862 2 1: GGA RPBE 0 3 Ex 0.142947435 0.314555233 0.171607798 2 1: GGA RPBE 0 4 Ex 0.140404792 -0.032637844 0.173042635 2 1: GGA revPBE 0 1 Ex -0.883409675 -0.772595426 0.110814249 2 1: GGA revPBE 0 2 Ex -0.878443514 -0.989257754 0.110814240 2 +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 +7: 1 8.200 0.000010638 -0.100010797 -0.100010654 -0.000000143 +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 +7: 1 8.400 0.000007022 -0.082462504 -0.082462335 -0.000000169 +6: 2 6.200 0.000259921 -0.196433380 -0.196433381 0.000000000 +6: 2 6.400 0.000189678 -0.183672030 -0.183672031 0.000000000 +7: 1 8.600 0.000004589 -0.068350286 -0.068350135 -0.000000151 +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 +7: 1 8.800 0.000002969 -0.057583471 -0.057583442 -0.000000030 +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: 1 9.000 0.000001902 -0.049506694 -0.049507028 0.000000334 +6: 2 8.000 0.000010636 -0.093477793 -0.093477805 0.000000012 +6: 2 8.200 0.000007092 -0.082785576 -0.082785590 0.000000014 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 1: GGA LYP 0 1 Ex -0.683858761 -0.481110128 0.202748633 2 @@ -4849,12 +4808,12 @@ 1: GGA WC 0 1 Ex -0.851117566 -0.781058731 0.070058835 2 1: GGA WC 0 2 Ex -0.847789475 -0.917848302 0.070058827 2 1: GGA WC 0 3 Ex 0.068511927 0.209021545 0.140509618 2 +6: 2 8.400 0.000004681 -0.072828254 -0.072828270 0.000000016 1: GGA WC 0 4 Ex 0.067293288 -0.074028452 0.141321740 2 1: GGA PBEJsJrLO 0 1 Ex -0.841152085 -0.770095638 0.071056448 2 1: GGA PBEJsJrLO 0 2 Ex -0.839008886 -0.910065326 0.071056440 2 1: GGA PBEJsJrLO 0 3 Ex 0.044119799 0.179730375 0.135610575 2 1: GGA PBEJsJrLO 0 4 Ex 0.043335029 -0.092974281 0.136309310 2 -7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000077 1: GGA PBEJsJrHEG 0 1 Ex -0.846589776 -0.800717714 0.045872062 2 1: GGA PBEJsJrHEG 0 2 Ex -0.845950462 -0.891822517 0.045872055 2 1: GGA PBEJsJrHEG 0 3 Ex 0.013160874 0.106208196 0.093047322 2 @@ -4864,7 +4823,9 @@ 1: GGA PBEGcGxLO 0 3 Ex 0.035754953 0.168697943 0.132942991 2 1: GGA PBEGcGxLO 0 4 Ex 0.035118970 -0.098440984 0.133559954 2 1: GGA PBEGcGxHEG 0 1 Ex -0.825801240 -0.778157490 0.047643750 2 +7: 1 9.200 0.000001206 -0.043402831 -0.043404135 0.000001304 1: GGA PBEGcGxHEG 0 2 Ex -0.825223425 -0.872867168 0.047643743 2 +6: 2 8.600 0.000003059 -0.063687629 -0.063687643 0.000000014 1: GGA PBEGcGxHEG 0 3 Ex 0.011894869 0.105567733 0.093672865 2 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 @@ -4877,7 +4838,6 @@ 1: GGA AM05 0 2 Ec -0.063367125 -0.062921795 0.000445330 2 1: GGA AM05 0 3 Ex -0.056851119 0.120379751 0.177230870 2 1: GGA AM05 0 3 Ec 0.008693063 0.007682376 0.001010687 2 -7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA AM05 0 4 Ex -0.055839893 -0.233035491 0.177195598 2 1: GGA AM05 0 4 Ec 0.008538437 0.009556415 0.001017977 2 1: GGA PW86 0 1 Ex -0.847248887 -0.742423796 0.104825091 2 @@ -4886,6 +4846,8 @@ 1: GGA PW86 0 4 Ex -0.011220053 -0.176765157 0.165545104 2 1: GGA B88 0 1 Ex -0.683600809 -0.480887364 0.202713445 2 1: GGA B88 0 2 Ex -0.685375299 -0.888088735 0.202713436 2 +7: 1 9.400 0.000000757 -0.038686660 -0.038688834 0.000002175 +6: 2 8.800 0.000001979 -0.055396187 -0.055396188 0.000000002 1: GGA B88 0 3 Ex -0.036529563 0.246974535 0.283504098 2 1: GGA B88 0 4 Ex -0.035879802 -0.319505246 0.283625444 2 1: GGA C09 0 1 Ex -0.742687595 -0.607099370 0.135588225 2 @@ -4905,13 +4867,13 @@ 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 +6: 2 9.000 0.000001268 -0.047949450 -0.047949418 -0.000000032 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 1: GGA PBE 0 3 Ex 0.040188294 0.062627728 0.022439435 2 1: GGA PBE 0 4 Ex 0.010298926 -0.134007006 0.144305933 2 1: GGA RPBE 0 1 Ex -0.328669653 -0.283914257 0.044755396 2 -7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: GGA RPBE 0 2 Ex -0.349820785 -0.394576160 0.044755375 2 1: GGA RPBE 0 3 Ex 0.023893483 0.054460253 0.030566770 2 1: GGA RPBE 0 4 Ex 0.006123107 -0.190453614 0.196576721 2 @@ -4931,6 +4893,7 @@ 1: GGA WC 0 2 Ex -0.380297638 -0.405933106 0.025635468 2 1: GGA WC 0 3 Ex 0.044051205 0.061561819 0.017510614 2 1: GGA WC 0 4 Ex 0.011288862 -0.101317269 0.112606132 2 +6: 2 9.200 0.000000804 -0.041317198 -0.041317116 -0.000000082 1: GGA PBEJsJrLO 0 1 Ex -0.337495895 -0.309351427 0.028144467 2 1: GGA PBEJsJrLO 0 2 Ex -0.371346424 -0.399490872 0.028144448 2 1: GGA PBEJsJrLO 0 3 Ex 0.038239421 0.057463315 0.019223894 2 @@ -4938,8 +4901,8 @@ 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 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA PBEJsJrHEG 0 4 Ex 0.016682464 -0.082530439 0.099212903 2 +7: 1 9.600 0.000000470 -0.034934582 -0.034936830 0.000002248 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 1: GGA PBEGcGxLO 0 3 Ex 0.038654054 0.055919961 0.017265907 2 @@ -4948,6 +4911,7 @@ 1: GGA PBEGcGxHEG 0 2 Ex -0.368441098 -0.389348565 0.020907467 2 1: GGA PBEGcGxHEG 0 3 Ex 0.064001993 0.078282389 0.014280396 2 1: GGA PBEGcGxHEG 0 4 Ex 0.016401587 -0.075433642 0.091835230 2 +6: 2 9.400 0.000000504 -0.035452601 -0.035452511 -0.000000090 1: GGA PBESOL 0 1 Ex -0.337567386 -0.312290416 0.025276969 2 1: GGA PBESOL 0 2 Ex -0.371784959 -0.397061910 0.025276951 2 1: GGA PBESOL 0 3 Ex 0.038654054 0.055919961 0.017265907 2 @@ -4960,7 +4924,6 @@ 1: GGA AM05 0 3 Ec -0.033894920 -0.034214869 0.000319949 2 1: GGA AM05 0 4 Ex 0.005689509 -0.138154842 0.143844351 2 1: GGA AM05 0 4 Ec -0.008686143 -0.006628552 0.002057592 2 -7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 1: GGA PW86 0 1 Ex -0.438991989 -0.404241853 0.034750136 2 1: GGA PW86 0 2 Ex -0.431414930 -0.466165049 0.034750119 2 1: GGA PW86 0 3 Ex -0.008559464 0.016089416 0.024648880 2 @@ -4968,6 +4931,7 @@ 1: GGA B88 0 1 Ex -0.401061514 -0.345604002 0.055457513 2 1: GGA B88 0 2 Ex -0.396006736 -0.451464242 0.055457506 2 1: GGA B88 0 3 Ex -0.005710156 0.036908602 0.042618758 2 +7: 1 9.800 0.000000289 -0.031858263 -0.031860487 0.000002224 1: GGA B88 0 4 Ex -0.001463324 -0.263553364 0.262090040 2 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 @@ -4984,8 +4948,8 @@ 1: 3 -0.010267414 -0.251919103 -0.122023021 0.031036771 1: 4 -0.004436030 0.073465432 0.302168169 -0.040452872 1: GGA PW91 0 1 Ex -0.604245837 -0.671272487 0.067026650 2 +6: 2 9.600 0.000000313 -0.030299188 -0.030299097 -0.000000090 1: GGA PW91 0 2 Ex -0.484392712 -0.417366054 0.067026659 2 -7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002249 1: GGA PW91 0 3 Ex -0.028934031 0.171890782 0.200824813 2 1: GGA PW91 0 4 Ex -0.012500931 -0.156009904 0.143508973 2 1: GGA PBE 0 1 Ex -0.475992826 -0.508622094 0.032629268 2 @@ -4996,6 +4960,7 @@ 1: GGA RPBE 0 2 Ex -0.464809790 -0.414871882 0.049937909 2 1: GGA RPBE 0 3 Ex -0.008569665 0.137997862 0.146567527 2 1: GGA RPBE 0 4 Ex -0.003702519 -0.103549791 0.099847272 2 +6: 2 9.800 0.000000193 -0.025795893 -0.025795812 -0.000000082 1: GGA revPBE 0 1 Ex -0.554467746 -0.602785551 0.048317804 2 1: GGA revPBE 0 2 Ex -0.450542909 -0.402225095 0.048317814 2 1: GGA revPBE 0 3 Ex -0.025088745 0.116256157 0.141344902 2 @@ -5011,14 +4976,15 @@ 1: GGA WC 0 1 Ex -0.469230217 -0.505897532 0.036667315 2 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 -7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: GGA WC 0 4 Ex -0.002938384 -0.075747794 0.072809411 2 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 1: GGA PBEJsJrLO 0 4 Ex -0.000091659 -0.062678191 0.062586531 2 +6: 2 10.000 0.000000117 -0.021880577 -0.021880500 -0.000000077 1: GGA PBEJsJrHEG 0 1 Ex -0.417912755 -0.440312887 0.022400132 2 1: GGA PBEJsJrHEG 0 2 Ex -0.488039511 -0.465639370 0.022400141 2 +7: 1 10.000 0.000000176 -0.029267821 -0.029269964 0.000002144 1: GGA PBEJsJrHEG 0 3 Ex 0.016929469 0.082534025 0.065604556 2 1: GGA PBEJsJrHEG 0 4 Ex 0.007314367 -0.037149700 0.044464067 2 1: GGA PBEGcGxLO 0 1 Ex -0.455378018 -0.485440065 0.030062047 2 @@ -5033,7 +4999,6 @@ 1: GGA PBESOL 0 2 Ex -0.450370192 -0.420308137 0.030062055 2 1: GGA PBESOL 0 3 Ex -0.001208951 0.086682779 0.087891731 2 1: GGA PBESOL 0 4 Ex -0.000522327 -0.059841737 0.059319410 2 -7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA AM05 0 1 Ex -0.280712559 -0.280307191 0.000405368 2 1: GGA AM05 0 1 Ec -0.076594846 -0.076327705 0.000267142 2 1: GGA AM05 0 2 Ex -0.394082896 -0.394488264 0.000405368 2 @@ -5055,7 +5020,6 @@ 1: GGA C09 0 3 Ex -0.043141282 0.088692458 0.131833740 2 1: GGA C09 0 4 Ex -0.018639166 -0.107887477 0.089248311 2 1: GGA BH 0 1 Ex -0.420985838 -0.464163227 0.043177389 2 -7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA BH 0 2 Ex -0.339394742 -0.296217344 0.043177398 2 1: GGA BH 0 3 Ex -0.019697103 0.104749071 0.124446174 2 1: GGA BH 0 4 Ex -0.008510122 -0.089564718 0.081054596 2 @@ -5077,7 +5041,6 @@ 1: GGA RPBE 0 2 Ex -0.916495643 -1.101183169 0.184687526 2 1: GGA RPBE 0 3 Ex 0.027333669 0.105527502 0.078193833 2 1: GGA RPBE 0 4 Ex -0.049239806 0.068361577 0.117601383 2 -7: 2 10.400 0.000000042 -0.024899792 -0.024901677 0.000001885 1: GGA revPBE 0 1 Ex -0.856116521 -0.692857900 0.163258621 2 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 @@ -5098,7 +5061,6 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.808188504 -0.917273929 0.109085424 2 1: GGA PBEJsJrLO 0 3 Ex -0.034223342 0.028603500 0.062826842 2 1: GGA PBEJsJrLO 0 4 Ex 0.061651099 0.140350248 0.078699149 2 -7: 2 10.600 0.000000025 -0.023159554 -0.023161329 0.000001776 1: GGA PBEJsJrHEG 0 1 Ex -0.875710260 -0.788300760 0.087409501 2 1: GGA PBEJsJrHEG 0 2 Ex -0.799746049 -0.887155545 0.087409496 2 1: GGA PBEJsJrHEG 0 3 Ex -0.052483616 -0.006832433 0.045651183 2 @@ -5117,7 +5079,6 @@ 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 10.800 0.000000015 -0.021608555 -0.021610223 0.000001668 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 @@ -5138,7 +5099,6 @@ 1: GGA C09 0 4 Ex 0.056707185 0.145166422 0.088459237 2 1: GGA BH 0 1 Ex -0.774617319 -0.648359900 0.126257419 2 1: GGA BH 0 2 Ex -0.746053186 -0.872310600 0.126257414 2 -7: 2 11.000 0.000000008 -0.020221667 -0.020223260 0.000001593 1: GGA BH 0 3 Ex -0.019734938 0.071411139 0.091146076 2 1: GGA BH 0 4 Ex 0.035551191 0.136869268 0.101318076 2 1: @@ -5160,7 +5120,6 @@ 1: GGA RPBE 0 3 Ex 0.058691015 -0.191292395 0.249983410 2 1: GGA RPBE 0 4 Ex -0.056402026 0.185350923 0.241752950 2 1: GGA revPBE 0 1 Ex -0.800779113 -1.757662133 0.956883020 2 -7: 2 11.200 0.000000005 -0.018978407 -0.018979877 0.000001470 1: GGA revPBE 0 2 Ex -0.782307587 0.174575437 0.956883025 2 1: GGA revPBE 0 3 Ex 0.017439655 -0.216567163 0.234006817 2 1: GGA revPBE 0 4 Ex -0.016759496 0.267052522 0.283812019 2 @@ -5183,7 +5142,6 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.857227113 -1.322090679 0.464863566 2 1: GGA PBEJsJrHEG 0 2 Ex -0.854161378 -0.389297809 0.464863570 2 1: GGA PBEJsJrHEG 0 3 Ex 0.002894474 -0.122874852 0.125769326 2 -7: 2 11.400 0.000000003 -0.017861495 -0.017862916 0.000001421 1: GGA PBEJsJrHEG 0 4 Ex -0.002781588 0.122520267 0.125301855 2 1: GGA PBEGcGxLO 0 1 Ex -0.793164916 -1.385387860 0.592222944 2 1: GGA PBEGcGxLO 0 2 Ex -0.805649486 -0.213426538 0.592222948 2 @@ -5201,8 +5159,6 @@ 1: GGA AM05 0 1 Ec -0.068942219 -0.061252036 0.007690183 2 1: GGA AM05 0 2 Ex -0.748677201 -0.216777085 0.531900116 2 1: GGA AM05 0 2 Ec -0.064607561 -0.072297744 0.007690183 2 -7: 2 11.600 0.000000002 -0.016855994 -0.016857326 0.000001332 -7: avgDiffVxc, maxDiffVxc = 0.000000681 0.000002261 1: GGA AM05 0 3 Ex -0.055325070 -0.152895883 0.097570813 2 1: GGA AM05 0 3 Ec 0.004092511 0.006710459 0.002617948 2 1: GGA AM05 0 4 Ex 0.053167355 0.244754382 0.191587027 2 @@ -5236,7 +5192,6 @@ 1: GGA PBE 0 1 Ex -0.998019873 1.199847586 2.197867459 2 1: GGA PBE 0 2 Ex -0.995660141 -3.193527615 2.197867474 2 1: GGA PBE 0 3 Ex 0.002120172 0.814013243 0.811893071 2 -4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.03 sec 1: GGA PBE 0 4 Ex -0.035131069 -0.059947819 0.024816751 2 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 @@ -5273,7 +5228,6 @@ 1: GGA PBEGcGxHEG 0 1 Ex -0.991295225 0.445552350 1.436847576 2 1: GGA PBEGcGxHEG 0 2 Ex -0.991322151 -2.428169740 1.436847589 2 1: GGA PBEGcGxHEG 0 3 Ex -0.000024192 0.523549095 0.523573286 2 -5/9 Test #5: libgridxc_test6 .................. Passed 0.04 sec 1: GGA PBEGcGxHEG 0 4 Ex 0.000400854 -0.016257470 0.016658324 2 1: GGA PBESOL 0 1 Ex -0.946914497 0.886034268 1.832948765 2 1: GGA PBESOL 0 2 Ex -0.948029507 -2.780978286 1.832948778 2 @@ -5861,6 +5815,31 @@ 1: GGA PBE 0 1 Ex -1.201084383 -0.923102677 0.277981706 2 1: GGA PBE 0 2 Ex -1.203270313 -1.481252013 0.277981699 2 1: GGA PBE 0 3 Ex -0.095837407 0.214646006 0.310483414 2 +7: 1 10.200 0.000000106 -0.027039672 -0.027041720 0.000002048 +7: 1 10.400 0.000000063 -0.025092806 -0.025094748 0.000001941 +7: 1 10.600 0.000000037 -0.023372816 -0.023374651 0.000001835 +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 +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 +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 PBE 0 4 Ex 0.054550138 0.594459004 0.539908866 2 1: GGA RPBE 0 1 Ex -1.182321900 -0.877753710 0.304568190 2 1: GGA RPBE 0 2 Ex -1.184374311 -1.488942494 0.304568183 2 @@ -5893,6 +5872,7 @@ 1: GGA PBEGcGxLO 0 1 Ex -1.231585234 -1.061923664 0.169661571 2 1: GGA PBEGcGxLO 0 2 Ex -1.233862160 -1.403523724 0.169661564 2 1: GGA PBEGcGxLO 0 3 Ex -0.099826891 0.091757913 0.191584804 2 +3/9 Test #6: libgridxc_test_libxc ............. Passed 0.11 sec 1: GGA PBEGcGxLO 0 4 Ex 0.056820931 0.390010898 0.333189967 2 1: GGA PBEGcGxHEG 0 1 Ex -1.237381142 -1.075729110 0.161652032 2 1: GGA PBEGcGxHEG 0 2 Ex -1.239700404 -1.401352430 0.161652026 2 @@ -5935,6 +5915,7 @@ 1: GGA PW91 0 1 Ex -0.029955770 -0.023405842 0.006549929 2 1: GGA PW91 0 2 Ex -0.061797037 -0.068346973 0.006549937 2 1: GGA PW91 0 3 Ex 0.002512837 0.002091508 0.000421329 2 +7: 2 1.200 0.026517171 -0.869787130 -0.869787142 0.000000012 1: GGA PW91 0 4 Ex -0.042887713 -0.040480953 0.002406761 2 1: GGA PBE 0 1 Ex -0.085467132 -0.085707650 0.000240518 2 1: GGA PBE 0 2 Ex -0.108118618 -0.107878138 0.000240481 2 @@ -6007,6 +5988,7 @@ 1: GGA PW91 0 1 Ex -1.193969372 -0.940868842 0.253100530 2 1: GGA PW91 0 2 Ex -1.193950668 -1.447051192 0.253100524 2 1: GGA PW91 0 3 Ex 0.000017918 -0.561836775 0.561854694 2 +7: 2 1.400 0.024848378 -0.849409711 -0.849409699 -0.000000011 1: GGA PW91 0 4 Ex -0.000045379 -0.274060143 0.274014763 2 1: GGA PBE 0 1 Ex -1.213872997 -0.972686022 0.241186976 2 1: GGA PBE 0 2 Ex -1.222245620 -1.463432589 0.241186969 2 @@ -6566,6 +6548,19 @@ 1: GGA revPBE 0 2 Ex -0.278824401 -0.309474154 0.030649752 2 1: GGA revPBE 0 3 Ex 0.000838037 -0.033906977 0.034745014 2 1: GGA revPBE 0 4 Ex 0.009920803 0.049763434 0.039842632 2 +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 1: GGA LYP 0 1 Ex -0.187683589 0.081845377 0.269528966 2 1: GGA LYP 0 1 Ec -0.228957090 -0.387286035 0.158328945 2 1: GGA LYP 0 2 Ex -0.224448102 -0.493977068 0.269528966 2 @@ -7599,6 +7594,20 @@ 1: GGA PBESOL 0 2 Ex -1.429049787 -1.461320979 0.032271192 2 1: GGA PBESOL 0 3 Ex 0.020213141 0.044439847 0.024226705 2 1: GGA PBESOL 0 4 Ex 0.043637990 -0.023455608 0.067093598 2 +7: 2 4.200 0.003500077 -0.444266875 -0.444266874 -0.000000001 +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 +4/9 Test #5: libgridxc_test6 .................. Passed 0.16 sec 1: GGA AM05 0 1 Ex -0.853100865 -0.923514702 0.070413836 2 1: GGA AM05 0 1 Ec -0.109625225 -0.113697388 0.004072163 2 1: GGA AM05 0 2 Ex -1.423194936 -1.352781099 0.070413836 2 @@ -7651,6 +7660,7 @@ 1: GGA LYP 0 2 Ec -0.270771349 -0.237562415 0.033208934 2 1: GGA LYP 0 3 Ex 0.000183680 -0.176919997 0.177103678 2 1: GGA LYP 0 3 Ec 0.096751192 -0.091138580 0.187889772 2 +7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 1: GGA LYP 0 4 Ex -0.000009771 0.060646929 0.060656700 2 1: GGA LYP 0 4 Ec -0.005146997 -0.351601951 0.346454954 2 1: GGA WC 0 1 Ex -0.337014491 -0.345044687 0.008030196 2 @@ -7660,6 +7670,7 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.337095127 -0.344884804 0.007789677 2 1: GGA PBEJsJrLO 0 2 Ex -0.410844701 -0.403055012 0.007789689 2 1: GGA PBEJsJrLO 0 3 Ex -0.007226365 -0.048021593 0.040795228 2 +7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000015 1: GGA PBEJsJrLO 0 4 Ex 0.000384430 -0.019277330 0.019661761 2 1: GGA PBEJsJrHEG 0 1 Ex -0.292354452 -0.296832368 0.004477917 2 1: GGA PBEJsJrHEG 0 2 Ex -0.413383374 -0.408905446 0.004477928 2 @@ -7668,6 +7679,7 @@ 1: GGA PBEGcGxLO 0 1 Ex -0.335883195 -0.344255210 0.008372014 2 1: GGA PBEGcGxLO 0 2 Ex -0.390476825 -0.382104798 0.008372026 2 1: GGA PBEGcGxLO 0 3 Ex -0.005349367 -0.049190092 0.043840725 2 +7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 1: GGA PBEGcGxLO 0 4 Ex 0.000284577 -0.020767011 0.021051588 2 1: GGA PBEGcGxHEG 0 1 Ex -0.291735395 -0.296698804 0.004963408 2 1: GGA PBEGcGxHEG 0 2 Ex -0.399337379 -0.394373960 0.004963419 2 @@ -7678,6 +7690,7 @@ 1: GGA PBESOL 0 3 Ex -0.005349367 -0.049190092 0.043840725 2 1: GGA PBESOL 0 4 Ex 0.000284577 -0.020767011 0.021051588 2 1: GGA AM05 0 1 Ex -0.259629188 -0.282885911 0.023256723 2 +7: 2 7.400 0.000033779 -0.163293898 -0.163293894 -0.000000004 1: GGA AM05 0 1 Ec -0.068486006 -0.068452603 0.000033403 2 1: GGA AM05 0 2 Ex -0.275152535 -0.251895812 0.023256723 2 1: GGA AM05 0 2 Ec -0.027625428 -0.027658830 0.000033403 2 @@ -7687,6 +7700,7 @@ 1: GGA AM05 0 4 Ec -0.000212992 -0.000128528 0.000084464 2 1: GGA PW86 0 1 Ex -0.367708960 -0.382202945 0.014493985 2 1: GGA PW86 0 2 Ex -0.405195270 -0.390701267 0.014494003 2 +7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 1: GGA PW86 0 3 Ex -0.003673103 -0.077464896 0.073791793 2 1: GGA PW86 0 4 Ex 0.000195403 0.003359299 0.003163896 2 1: GGA B88 0 1 Ex -0.313743159 -0.349081551 0.035338392 2 @@ -7696,6 +7710,7 @@ 1: GGA C09 0 1 Ex -0.423091514 -0.443372174 0.020280661 2 1: GGA C09 0 2 Ex -0.286700786 -0.266420111 0.020280675 2 1: GGA C09 0 3 Ex 0.013364270 -0.092923446 0.106287716 2 +7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 1: GGA C09 0 4 Ex -0.000710956 -0.053331196 0.052620240 2 1: GGA BH 0 1 Ex -0.368332491 -0.382904373 0.014571882 2 1: GGA BH 0 2 Ex -0.410430446 -0.395858546 0.014571900 2 @@ -7704,6 +7719,7 @@ 1: 1: iSpin dens gradDens 1: 1 0.330808588 -2.232256030 1.793801294 1.871285206 +7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 1: 2 0.146561854 -0.763483032 -0.830450496 2.088974568 1: 3 0.025400423 0.037384299 1.793501842 2.284639256 1: 4 0.164786455 -0.884198658 -1.727294245 -0.006046364 @@ -7713,6 +7729,7 @@ 1: GGA PW91 0 4 Ex -0.168330994 -0.144010563 0.024320430 2 1: GGA PBE 0 1 Ex -0.838379947 -0.832694933 0.005685015 2 1: GGA PBE 0 2 Ex -0.811922641 -0.817607670 0.005685029 2 +7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 1: GGA PBE 0 3 Ex -0.003647428 -0.104748593 0.101101164 2 1: GGA PBE 0 4 Ex -0.023662865 -0.011257182 0.012405684 2 1: GGA RPBE 0 1 Ex -0.785284915 -0.777988460 0.007296455 2 @@ -7721,6 +7738,7 @@ 1: GGA RPBE 0 4 Ex 0.016998793 0.034528274 0.017529482 2 1: GGA revPBE 0 1 Ex -0.837422368 -0.829723883 0.007698485 2 1: GGA revPBE 0 2 Ex -0.926583946 -0.934282446 0.007698500 2 +7: 2 8.400 0.000004681 -0.075347142 -0.075346959 -0.000000183 1: GGA revPBE 0 3 Ex 0.012291897 -0.116462428 0.128754325 2 1: GGA revPBE 0 4 Ex 0.079744264 0.095286821 0.015542557 2 1: GGA LYP 0 1 Ex -0.781627838 -0.729312613 0.052315225 2 @@ -7731,6 +7749,7 @@ 1: GGA LYP 0 3 Ec 0.059140195 -0.194513898 0.253654093 2 1: GGA LYP 0 4 Ex -0.081372529 -0.122346142 0.040973613 2 1: GGA LYP 0 4 Ec 0.383674832 0.435826459 0.052151627 2 +7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000077 1: GGA WC 0 1 Ex -0.848163536 -0.843521819 0.004641718 2 1: GGA WC 0 2 Ex -0.811648979 -0.816290711 0.004641731 2 1: GGA WC 0 3 Ex -0.005033930 -0.083826452 0.078792522 2 @@ -7739,6 +7758,7 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.803722038 -0.808807458 0.005085420 2 1: GGA PBEJsJrLO 0 3 Ex -0.003394433 -0.089477058 0.086082625 2 1: GGA PBEJsJrLO 0 4 Ex -0.022021543 -0.011595629 0.010425914 2 +7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA PBEJsJrHEG 0 1 Ex -0.829766759 -0.825859638 0.003907121 2 1: GGA PBEJsJrHEG 0 2 Ex -0.738184742 -0.742091876 0.003907134 2 1: GGA PBEJsJrHEG 0 3 Ex -0.012625581 -0.082136903 0.069511323 2 @@ -7748,6 +7768,7 @@ 1: GGA PBEGcGxLO 0 3 Ex -0.003811307 -0.080603720 0.076792413 2 1: GGA PBEGcGxLO 0 4 Ex -0.024726034 -0.015534040 0.009191994 2 1: GGA PBEGcGxHEG 0 1 Ex -0.824754627 -0.821062142 0.003692485 2 +7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: GGA PBEGcGxHEG 0 2 Ex -0.734817312 -0.738509809 0.003692498 2 1: GGA PBEGcGxHEG 0 3 Ex -0.012398841 -0.076578855 0.064180014 2 1: GGA PBEGcGxHEG 0 4 Ex -0.080438068 -0.072609546 0.007828522 2 @@ -7757,6 +7778,7 @@ 1: GGA PBESOL 0 4 Ex -0.024726034 -0.015534040 0.009191994 2 1: GGA AM05 0 1 Ex -0.749440187 -0.715760200 0.033679987 2 1: GGA AM05 0 1 Ec -0.061813742 -0.061868376 0.000054634 2 +7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA AM05 0 2 Ex -0.605625453 -0.639305440 0.033679988 2 1: GGA AM05 0 2 Ec -0.100812555 -0.100757920 0.000054634 2 1: GGA AM05 0 3 Ex -0.019826431 0.048397017 0.068223448 2 @@ -7766,6 +7788,7 @@ 1: GGA PW86 0 1 Ex -0.870022508 -0.850657946 0.019364562 2 1: GGA PW86 0 2 Ex -0.807899716 -0.827264293 0.019364576 2 1: GGA PW86 0 3 Ex -0.008564305 -0.046735326 0.038171021 2 +7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 1: GGA PW86 0 4 Ex -0.055561336 -0.060503306 0.004941970 2 1: GGA B88 0 1 Ex -0.781272634 -0.728962491 0.052310143 2 1: GGA B88 0 2 Ex -0.690444956 -0.742755113 0.052310157 2 @@ -8465,6 +8488,7 @@ 1: GGA B88 0 2 Ex -3.726763947 -3.773229911 0.046465964 2 1: GGA B88 0 3 Ex -1.408872687 -1.365002962 0.043869725 2 1: GGA B88 0 4 Ex 0.287693929 0.305393895 0.017699966 2 +7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002249 1: GGA C09 0 1 Ex -0.544019040 -0.518305407 0.025713633 2 1: GGA C09 0 2 Ex -0.264688347 -0.290401960 0.025713613 2 1: GGA C09 0 3 Ex 0.161212901 0.189508427 0.028295526 2 @@ -8474,6 +8498,7 @@ 1: GGA BH 0 3 Ex -0.259603557 -0.227834702 0.031768855 2 1: GGA BH 0 4 Ex 0.053011438 0.085550438 0.032539000 2 1: +7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: iSpin dens gradDens 1: 1 0.020088257 0.150057337 -0.124050140 -0.004194706 1: 2 0.023264984 -0.017759602 -0.097692128 -0.155282950 @@ -8485,6 +8510,7 @@ 1: GGA PW91 0 4 Ex -0.085211856 -0.024689760 0.060522096 2 1: GGA PBE 0 1 Ex -0.533005903 -0.537199434 0.004193531 2 1: GGA PBE 0 2 Ex -0.516540173 -0.512346666 0.004193507 2 +7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA PBE 0 3 Ex -0.003849086 0.010940157 0.014789243 2 1: GGA PBE 0 4 Ex -0.014680956 -0.016206746 0.001525790 2 1: GGA RPBE 0 1 Ex -0.596219485 -0.596392589 0.000173105 2 @@ -8494,6 +8520,7 @@ 1: GGA revPBE 0 1 Ex -0.596318740 -0.605588240 0.009269500 2 1: GGA revPBE 0 2 Ex -0.543521046 -0.534251574 0.009269472 2 1: GGA revPBE 0 3 Ex -0.012342171 0.023582917 0.035925087 2 +7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA revPBE 0 4 Ex -0.047074780 -0.051295484 0.004220704 2 1: GGA LYP 0 1 Ex -0.356785938 -0.428340903 0.071554966 2 1: GGA LYP 0 1 Ec -0.348999569 -0.291185993 0.057813575 2 @@ -8504,6 +8531,7 @@ 1: GGA LYP 0 4 Ex -0.008232539 -0.077836835 0.069604296 2 1: GGA LYP 0 4 Ec -0.139355986 -0.068623466 0.070732520 2 1: GGA WC 0 1 Ex -0.524403054 -0.528752346 0.004349293 2 +7: 2 10.400 0.000000042 -0.024899792 -0.024901677 0.000001885 1: GGA WC 0 2 Ex -0.499238121 -0.494888852 0.004349269 2 1: GGA WC 0 3 Ex -0.005882641 0.007681727 0.013564369 2 1: GGA WC 0 4 Ex -0.022437223 -0.023554524 0.001117300 2 @@ -8514,6 +8542,7 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.471583572 -0.474452707 0.002869135 2 1: GGA PBEJsJrHEG 0 2 Ex -0.465676032 -0.462806917 0.002869115 2 1: GGA PBEJsJrHEG 0 3 Ex -0.001380967 0.008729077 0.010110044 2 +7: 2 10.600 0.000000025 -0.023159554 -0.023161329 0.000001776 1: GGA PBEJsJrHEG 0 4 Ex -0.005267203 -0.006308893 0.001041690 2 1: GGA PBEGcGxLO 0 1 Ex -0.493935671 -0.500589271 0.006653600 2 1: GGA PBEGcGxLO 0 2 Ex -0.462674850 -0.456021273 0.006653577 2 @@ -8523,6 +8552,7 @@ 1: GGA PBEGcGxHEG 0 2 Ex -0.453223047 -0.449823863 0.003399184 2 1: GGA PBEGcGxHEG 0 3 Ex -0.002278033 0.010222110 0.012500143 2 1: GGA PBEGcGxHEG 0 4 Ex -0.008688738 -0.010059815 0.001371077 2 +7: 2 10.800 0.000000015 -0.021608555 -0.021610223 0.000001668 1: GGA PBESOL 0 1 Ex -0.493935671 -0.500589271 0.006653600 2 1: GGA PBESOL 0 2 Ex -0.462674850 -0.456021273 0.006653577 2 1: GGA PBESOL 0 3 Ex -0.007307637 0.019299944 0.026607581 2 @@ -8532,6 +8562,7 @@ 1: GGA AM05 0 2 Ex -0.299979462 -0.251682571 0.048296890 2 1: GGA AM05 0 2 Ec -0.042845704 -0.042866866 0.000021161 2 1: GGA AM05 0 3 Ex -0.000398905 0.282482284 0.282881189 2 +7: 2 11.000 0.000000008 -0.020221667 -0.020223260 0.000001593 1: GGA AM05 0 3 Ec -0.000856860 -0.000921428 0.000064568 2 1: GGA AM05 0 4 Ex -0.001521481 -0.048603714 0.047082232 2 1: GGA AM05 0 4 Ec -0.003268185 -0.003263123 0.000005062 2 @@ -8542,6 +8573,7 @@ 1: GGA B88 0 1 Ex -0.356756455 -0.428308712 0.071552258 2 1: GGA B88 0 2 Ex -0.347522326 -0.275970102 0.071552225 2 1: GGA B88 0 3 Ex -0.002158602 0.416356280 0.418514882 2 +7: 2 11.200 0.000000005 -0.018978407 -0.018979877 0.000001470 1: GGA B88 0 4 Ex -0.008233211 -0.077834921 0.069601711 2 1: GGA C09 0 1 Ex -0.589122855 -0.594260257 0.005137402 2 1: GGA C09 0 2 Ex -0.435015106 -0.429877731 0.005137374 2 @@ -8551,6 +8583,7 @@ 1: GGA BH 0 2 Ex -0.465061626 -0.438558337 0.026503289 2 1: GGA BH 0 3 Ex -0.001961727 0.147962094 0.149923821 2 1: GGA BH 0 4 Ex -0.007482303 -0.031926984 0.024444681 2 +7: 2 11.400 0.000000003 -0.017861495 -0.017862916 0.000001421 1: 1: iSpin dens gradDens 1: 1 1.133503324 6.990487940 -7.711292073 6.065759274 @@ -8561,6 +8594,8 @@ 1: GGA PW91 0 2 Ex -1.589211621 -1.571662513 0.017549108 2 1: GGA PW91 0 3 Ex 0.106342659 0.214029120 0.107686461 2 1: GGA PW91 0 4 Ex 0.179188396 0.134648342 0.044540054 2 +7: 2 11.600 0.000000002 -0.016855994 -0.016857326 0.000001332 +7: avgDiffVxc, maxDiffVxc = 0.000000681 0.000002261 1: GGA PBE 0 1 Ex -1.225169923 -1.241479299 0.016309376 2 1: GGA PBE 0 2 Ex -1.583610469 -1.567301088 0.016309381 2 1: GGA PBE 0 3 Ex 0.096370573 0.194393135 0.098022562 2 @@ -8576,6 +8611,7 @@ 1: GGA LYP 0 1 Ex -1.112274100 -1.133626975 0.021352875 2 1: GGA LYP 0 1 Ec -0.120445309 -0.119705512 0.000739797 2 1: GGA LYP 0 2 Ex -1.573953918 -1.552601042 0.021352876 2 +5/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.17 sec 1: GGA LYP 0 2 Ec -0.039172638 -0.039912435 0.000739797 2 1: GGA LYP 0 3 Ex 0.124127555 0.259943885 0.135816329 2 1: GGA LYP 0 3 Ec -0.021851026 -0.034520332 0.012669305 2 @@ -9454,9 +9490,7 @@ 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 0.09 sec -3: Ex, Ec = -3.716289981 -0.771674483 -3: Dx, Dc = 1.192543612 0.121155159 +6/9 Test #1: libgridxc_test1 .................. Passed 0.22 sec 2: 2: funcs= VDW 2: auths= BH @@ -9468,8 +9502,6 @@ 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: i1 i2 i3 iSpin Vxc dExc/dDens diff -3: 2 8 13 2 -0.313847006 -0.313846990 -0.000000016 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 @@ -9478,7 +9510,6 @@ 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: 4 2 23 2 -0.524218962 -0.524218947 -0.000000014 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 @@ -9486,7 +9517,6 @@ 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: 5 6 2 1 -0.626312320 -0.626312328 0.000000008 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 @@ -9494,7 +9524,6 @@ 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: 4 2 9 2 -0.561691010 -0.561691008 -0.000000002 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 @@ -9503,19 +9532,21 @@ 2: 1 6.600 0.000205559 -0.203472102 -0.203471426 -0.000000676 2: 1 6.800 0.000147033 -0.198598658 -0.198597592 -0.000001065 2: 1 7.000 0.000104122 -0.189565923 -0.189567430 0.000001507 -3: 7 3 21 1 -0.491741169 -0.491741173 0.000000004 2: 1 7.200 0.000072999 -0.181016372 -0.181015280 -0.000001093 2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000748 +3: Ex, Ec = -3.716289981 -0.771674483 +3: Dx, Dc = 1.192543612 0.121155159 2: 1 7.600 0.000034818 -0.165710223 -0.165709117 -0.000001106 2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001310 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 -3: 1 2 0 2 -0.680189858 -0.680189869 0.000000011 2: 1 8.600 0.000004589 -0.096226748 -0.096227608 0.000000861 2: 1 8.800 0.000002969 -0.084195519 -0.084194595 -0.000000924 2: 1 9.000 0.000001902 -0.074352560 -0.074354361 0.000001801 2: 1 9.200 0.000001206 -0.066227937 -0.066230345 0.000002408 +3: i1 i2 i3 iSpin Vxc dExc/dDens diff +3: 2 8 13 2 -0.313847006 -0.313846990 -0.000000016 2: 1 9.400 0.000000757 -0.059254673 -0.059259092 0.000004419 2: 1 9.600 0.000000470 -0.053256096 -0.053258876 0.000002780 2: 1 9.800 0.000000289 -0.047889328 -0.047892333 0.000003005 @@ -9524,6 +9555,7 @@ 2: 1 10.400 0.000000063 -0.034770816 -0.034772942 0.000002126 2: 1 10.600 0.000000037 -0.031177334 -0.031179205 0.000001871 2: 1 10.800 0.000000022 -0.027908137 -0.027909786 0.000001648 +3: 4 2 23 2 -0.524218962 -0.524218947 -0.000000014 2: 1 11.000 0.000000013 -0.024937534 -0.024938986 0.000001452 2: 1 11.200 0.000000007 -0.022242269 -0.022243500 0.000001230 2: 1 11.400 0.000000004 -0.019801203 -0.019802302 0.000001099 @@ -9534,17 +9566,20 @@ 2: 2 0.200 0.031588480 -0.915751674 -0.916586876 0.000835202 2: 2 0.400 0.031118189 -0.916480278 -0.916182756 -0.000297522 2: 2 0.600 0.030349878 -0.905234497 -0.905330300 0.000095803 +3: 5 6 2 1 -0.626312320 -0.626312328 0.000000008 2: 2 0.800 0.029306007 -0.899618247 -0.899603248 -0.000014999 2: 2 1.000 0.028016469 -0.884545454 -0.884543762 -0.000001693 2: 2 1.200 0.026517171 -0.871612702 -0.871612012 -0.000000690 2: 2 1.400 0.024848378 -0.853952605 -0.853955589 0.000002984 2: 2 1.600 0.023052921 -0.835057592 -0.835056074 -0.000001518 +3: 4 2 9 2 -0.561691010 -0.561691008 -0.000000002 2: 2 1.800 0.021174391 -0.813963082 -0.813962307 -0.000000775 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 2: 2 2.600 0.013637077 -0.713633471 -0.713633828 0.000000357 2: 2 2.800 0.011914930 -0.685564496 -0.685564172 -0.000000325 +3: 7 3 21 1 -0.491741169 -0.491741173 0.000000004 2: 2 3.000 0.010306678 -0.656691901 -0.656690679 -0.000001221 2: 2 3.200 0.008826792 -0.627334141 -0.627338573 0.000004432 2: 2 3.400 0.007484177 -0.597534542 -0.597529529 -0.000005014 @@ -9553,6 +9588,7 @@ 2: 2 4.000 0.004296443 -0.507860006 -0.507858938 -0.000001069 2: 2 4.200 0.003500077 -0.478500307 -0.478499493 -0.000000815 2: 2 4.400 0.002822947 -0.449602251 -0.449606558 0.000004308 +3: 1 2 0 2 -0.680189858 -0.680189869 0.000000011 2: 2 4.600 0.002254159 -0.421308745 -0.421297660 -0.000011084 2: 2 4.800 0.001782061 -0.394081537 -0.394097553 0.000016015 2: 2 5.000 0.001394815 -0.368503162 -0.368493533 -0.000009629 @@ -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 4.33 sec +7/9 Test #2: libgridxc_test2 .................. Passed 6.34 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 4.82 sec +8/9 Test #4: libgridxc_test4 .................. Passed 8.46 sec 3: xc stress * volume = 3: -4.405894836 -0.011039400 0.003122993 3: -0.011039400 -4.442866097 0.004079677 @@ -9614,11 +9650,11 @@ 3: 0.000022309 -0.000006705 0.000059142 3: -0.000006705 0.000002015 -0.000017774 3: 0.000059142 -0.000017774 0.000156789 -9/9 Test #3: libgridxc_test3 .................. Passed 6.38 sec +9/9 Test #3: libgridxc_test3 .................. Passed 9.36 sec 100% tests passed, 0 tests failed out of 9 -Total Test time (real) = 6.38 sec +Total Test time (real) = 9.39 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 @@ -9642,84 +9678,84 @@ 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[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-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make[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-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend +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-test3.dir/DependInfo.cmake "--color=" +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-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-test4.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-test6.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_libxc.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_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-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_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_hse06.dir/DependInfo.cmake "--color=" 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-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build +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[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]: 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-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-test1.dir/build'. +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 -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[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]: 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[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' -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build -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[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 -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-test6.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' 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[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-test_libxc2.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_hse06.dir/build'. +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' +[ 72%] Built target libgridxc-test3 +[ 72%] Built target libgridxc-test2 +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-test_libxc2.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' -[ 70%] Built target libgridxc-test_hse06 -[ 72%] Built target libgridxc-test4 -[ 94%] Built target libgridxc-test_libxc -[ 94%] Built target libgridxc-test6 -[ 94%] Built target libgridxc-test_libxc2 -[ 96%] Built target libgridxc-test3 -[ 94%] Built target libgridxc-test1 -[ 96%] Built target libgridxc-test2 -[100%] Built target libgridxc-test_match +[ 76%] Built target libgridxc-test1 +[ 80%] Built target libgridxc-test6 +[ 84%] Built target libgridxc-test_libxc +[ 88%] Built target libgridxc-test_match +[ 92%] Built target libgridxc-test_libxc2 +[ 96%] Built target libgridxc-test4 +[100%] Built target libgridxc-test_hse06 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/2949456/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2949456/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/3150082 and its subdirectories -I: Current time: Sun Mar 30 05:23:10 -12 2025 -I: pbuilder-time-stamp: 1743355390 +I: removing directory /srv/workspace/pbuilder/2949456 and its subdirectories +I: Current time: Sun May 3 13:48:59 +14 2026 +I: pbuilder-time-stamp: 1777765739