Diff of the two buildlogs: -- --- b1/build.log 2024-11-20 07:49:18.389218393 +0000 +++ b2/build.log 2024-11-20 07:51:38.738878143 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Tue Nov 19 19:47:40 -12 2024 -I: pbuilder-time-stamp: 1732088860 +I: Current time: Wed Dec 24 04:12:43 +14 2025 +I: pbuilder-time-stamp: 1766499163 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -26,54 +26,86 @@ dpkg-source: info: unpacking libgridxc_2.0.2-1.debian.tar.xz I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/40412/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/77580/tmp/hooks/D01_modify_environment starting +debug: Running on ionos6-i386. +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 Dec 23 14:13 /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/77580/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/77580/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='i386' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=11 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='i386' + 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]="32" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.2.32(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=21 ' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=i686 + HOST_ARCH=i386 IFS=' ' - INVOCATION_ID='cf6765dad0ea4bc3aa3d6c3b20b96709' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - LD_LIBRARY_PATH='/usr/lib/libeatmydata' - LD_PRELOAD='libeatmydata.so' - 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='40412' - PS1='# ' - PS2='> ' + INVOCATION_ID=52926e6d371d49ea81aa2ad09ee08e73 + LANG=C + LANGUAGE=de_CH:de + LC_ALL=C + LD_LIBRARY_PATH=/usr/lib/libeatmydata + LD_PRELOAD=libeatmydata.so + MACHTYPE=i686-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=77580 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.d6tTF7nR/pbuilderrc_Sti2 --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.d6tTF7nR/b1 --logfile b1/build.log libgridxc_2.0.2-1.dsc' - SUDO_GID='112' - SUDO_UID='107' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://46.16.76.132:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.d6tTF7nR/pbuilderrc_Qtxx --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.d6tTF7nR/b2 --logfile b2/build.log libgridxc_2.0.2-1.dsc' + SUDO_GID=112 + SUDO_UID=107 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://213.165.73.152:3128 I: uname -a - Linux ionos2-i386 6.1.0-27-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.115-1 (2024-11-01) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-27-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.115-1 (2024-11-01) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/40412/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/77580/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -182,7 +214,7 @@ Get: 63 http://deb.debian.org/debian trixie/main i386 pkgconf-bin i386 1.8.1-4 [30.6 kB] Get: 64 http://deb.debian.org/debian trixie/main i386 pkgconf i386 1.8.1-4 [26.2 kB] Get: 65 http://deb.debian.org/debian trixie/main i386 pkg-config i386 1.8.1-4 [14.0 kB] -Fetched 60.8 MB in 1s (68.4 MB/s) +Fetched 60.8 MB in 1s (82.3 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libproc2-0:i386. (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 ... 19956 files and directories currently installed.) @@ -464,7 +496,11 @@ fakeroot is already the newest version (1.36-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/reproducible-path/libgridxc-2.0.2/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../libgridxc_2.0.2-1_source.changes +I: user script /srv/workspace/pbuilder/77580/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/77580/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/libgridxc-2.0.2/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../libgridxc_2.0.2-1_source.changes dpkg-buildpackage: info: source package libgridxc dpkg-buildpackage: info: source version 2.0.2-1 dpkg-buildpackage: info: source distribution unstable @@ -521,8 +557,8 @@ -- Searching for libXC library - found -- Configuring docs -- Configuring libgridxc tests... --- Configuring done (0.6s) --- Generating done (0.0s) +-- Configuring done (1.0s) +-- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -534,7 +570,7 @@ -- Build files have been written to: /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2' dh_auto_build -O--buildsystem=cmake - cd obj-i686-linux-gnu && make -j11 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-i686-linux-gnu && make -j21 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.0.2 -B/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -549,14 +585,14 @@ make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -[ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o +[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o [ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o -[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o +[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o [ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o [ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/precision.F90 -o CMakeFiles/libgridxc-lib.dir/src/precision.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc_config.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/m_walltime.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_precision.mod CMakeFiles/libgridxc-lib.dir/gridxc_precision.mod.stamp GNU @@ -564,29 +600,29 @@ /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/precision.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o.provides.build [ 11%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_walltime.mod CMakeFiles/libgridxc-lib.dir/gridxc_walltime.mod.stamp GNU [ 13%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o [ 15%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/xc_xwpbe.F90 -o CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include 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-I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/ldaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o +[ 25%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/interpolation.F90 -o CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/m_io.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o +[ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o +[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/bessph.F90 -o CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc_fft_gpfa.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o -[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/m_io.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sys.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cellsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_cellsubs.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_bessph.mod CMakeFiles/libgridxc-lib.dir/gridxc_bessph.mod.stamp GNU @@ -597,38 +633,38 @@ /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o.provides.build [ 31%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/minvec.F90 -o CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o -/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 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/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 +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o.provides.build /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 [ 33%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/chkgmx.F90 -o CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_chkgmx.mod CMakeFiles/libgridxc-lib.dir/gridxc_chkgmx.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_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_interpolation.mod CMakeFiles/libgridxc-lib.dir/gridxc_interpolation.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o.provides.build [ 35%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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_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_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-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/xc_hybrids.F90 -o CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_hybrids.mod CMakeFiles/libgridxc-lib.dir/gridxc_hybrids.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o.provides.build -[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_alloc.mod CMakeFiles/libgridxc-lib.dir/gridxc_alloc.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_hybrids.mod CMakeFiles/libgridxc-lib.dir/gridxc_hybrids.mod.stamp GNU [ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o +[ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/moreParallelSubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o -[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o +/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-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.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 @@ -643,10 +679,10 @@ /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_dp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_dp.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_sp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_sp.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o.provides.build -[ 47%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o [ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o +[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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 /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o.provides.build [ 50%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o @@ -655,22 +691,22 @@ /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/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/fftr.F90 -o CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fftr.mod CMakeFiles/libgridxc-lib.dir/gridxc_fftr.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_vv_vdwxc.mod CMakeFiles/libgridxc-lib.dir/gridxc_vv_vdwxc.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o.provides.build [ 54%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/vdwxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/vdwxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/vdwxc.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fftr.mod CMakeFiles/libgridxc-lib.dir/gridxc_fftr.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_vdwxc.mod CMakeFiles/libgridxc-lib.dir/gridxc_vdwxc.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/vdwxc.F90.o.provides.build [ 56%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o +[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o [ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/cellxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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 @@ -678,8 +714,8 @@ [ 62%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc.mod CMakeFiles/libgridxc-lib.dir/gridxc.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o.provides.build [ 64%] Linking Fortran static library libgridxc.a +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o.provides.build /usr/bin/cmake -P CMakeFiles/libgridxc-lib.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-lib.dir/link.txt --verbose=1 /usr/bin/ar qc libgridxc.a "CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/am05.F90.o" "CMakeFiles/libgridxc-lib.dir/src/array.F90.o" "CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o" "CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o" "CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o" "CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o" "CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o" "CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o" "CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o" "CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o" "CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o" "CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o" "CMakeFiles/libgridxc-lib.dir/src/precision.F90.o" "CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o" "CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o" "CMakeFiles/libgridxc-lib.dir/src/sys.F90.o" "CMakeFiles/libgridxc-lib.dir/src/vdwxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o" @@ -690,18 +726,18 @@ make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-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[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" @@ -715,76 +751,76 @@ cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". Scanning dependencies of target libgridxc-test1 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". -Scanning dependencies of target libgridxc-test6 -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". -make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build -Scanning dependencies of target libgridxc-test4 +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Scanning dependencies of target libgridxc-test2 -Scanning dependencies of target libgridxc-test3 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -Scanning dependencies of target libgridxc-test_libxc2 -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". Scanning dependencies of target libgridxc-test_libxc -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +Scanning dependencies of target libgridxc-test3 +Scanning dependencies of target libgridxc-test4 Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". +Scanning dependencies of target libgridxc-test6 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-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 -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build +make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Scanning dependencies of target libgridxc-test_match -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +Scanning dependencies of target libgridxc-test_libxc2 Scanning dependencies of target libgridxc-test_hse06 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +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]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-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-2.0.2/obj-i686-linux-gnu' -[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o -[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o -[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +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-2.0.2/obj-i686-linux-gnu' +[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 76%] Building Fortran object Testers/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-test3.dir/test3.F90.o -[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o +[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o +[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o +[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +[ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o +[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o +[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-i686-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 @@ -793,38 +829,38 @@ /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so [ 88%] Linking Fortran executable libgridxc-test_libxc cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so [ 90%] Linking Fortran executable libgridxc-test_libxc2 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 +/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so -/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +[ 92%] Linking Fortran executable libgridxc-test2 +cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 [ 92%] Built target libgridxc-test_match -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 92%] Built target libgridxc-test_hse06 +/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +[ 92%] Built target libgridxc-test_libxc +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +[ 92%] Built target libgridxc-test_libxc2 [ 94%] Linking Fortran executable libgridxc-test6 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1 -[ 94%] Built target libgridxc-test_libxc /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 94%] Built target libgridxc-test2 -[ 94%] Built target libgridxc-test_libxc2 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 94%] Built target libgridxc-test6 -[ 96%] Linking Fortran executable libgridxc-test4 -cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -[ 96%] Built target libgridxc-test4 -[ 98%] Linking Fortran executable libgridxc-test1 +[ 96%] Linking Fortran executable libgridxc-test1 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test1.dir/test1.f90.o" -o libgridxc-test1 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so +[ 98%] Linking Fortran executable libgridxc-test4 +cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 +/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 98%] Built target libgridxc-test1 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +[ 98%] Built target libgridxc-test4 [100%] Linking Fortran executable libgridxc-test3 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test3.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test3.dir/test3.F90.o" -o libgridxc-test3 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so @@ -834,10 +870,10 @@ /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' dh_auto_test -O--buildsystem=cmake - cd obj-i686-linux-gnu && make -j11 test ARGS\+=--verbose ARGS\+=-j11 + cd obj-i686-linux-gnu && make -j21 test ARGS\+=--verbose ARGS\+=-j21 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j11 +/usr/bin/ctest --force-new-ctest-process --verbose -j21 UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu @@ -1732,10 +1768,77 @@ 6: 1 1.200 0.039775757 -0.948686877 -0.948686876 -0.000000001 6: 1 1.400 0.037272568 -0.930171029 -0.930171035 0.000000006 6: 1 1.600 0.034579382 -0.909220984 -0.909220978 -0.000000007 +6: 1 1.800 0.031761587 -0.886131875 -0.886131871 -0.000000004 +6: 1 2.000 0.028883127 -0.861091739 -0.861091742 0.000000004 +6: 1 2.200 0.026004187 -0.834328425 -0.834328428 0.000000003 +6: 1 2.400 0.023179251 -0.806073217 -0.806073218 0.000000000 +6: 1 2.600 0.020455616 -0.776561113 -0.776561116 0.000000002 +6: 1 2.800 0.017872394 -0.746026275 -0.746026279 0.000000005 +6: 1 3.000 0.015460016 -0.714697437 -0.714697438 0.000000000 +6: 1 3.200 0.013240188 -0.682792452 -0.682792452 -0.000000001 +6: 1 3.400 0.011226266 -0.650510776 -0.650510775 -0.000000001 +6: 1 3.600 0.009423960 -0.618021733 -0.618021730 -0.000000002 +6: 1 3.800 0.007832284 -0.585445444 -0.585445443 -0.000000000 +6: 1 4.000 0.006444664 -0.552823710 -0.552823708 -0.000000002 +6: 1 4.200 0.005250115 -0.520082870 -0.520082869 -0.000000001 +6: 1 4.400 0.004234421 -0.487004137 -0.487004136 -0.000000000 +6: 1 4.600 0.003381238 -0.453240679 -0.453240679 0.000000000 +6: 1 4.800 0.002673091 -0.418441530 -0.418441529 -0.000000001 +6: 1 5.000 0.002092223 -0.382520889 -0.382520887 -0.000000001 +6: 1 5.200 0.001621280 -0.346003183 -0.346003182 -0.000000001 +6: 1 5.400 0.001243837 -0.310216436 -0.310216436 0.000000000 +6: 1 5.600 0.000944766 -0.277074102 -0.277074102 -0.000000001 +6: 1 5.800 0.000710460 -0.248426892 -0.248426893 0.000000001 +6: 1 6.000 0.000528944 -0.225324029 -0.225324030 0.000000001 +6: 1 6.200 0.000389881 -0.207630641 -0.207630641 0.000000001 +6: 1 6.400 0.000284517 -0.194187231 -0.194187233 0.000000002 +6: 1 6.600 0.000205559 -0.183339501 -0.183339503 0.000000002 +6: 1 6.800 0.000147033 -0.173510692 -0.173510695 0.000000003 +6: 1 7.000 0.000104122 -0.163573430 -0.163573432 0.000000002 +6: 1 7.200 0.000072999 -0.152957536 -0.152957538 0.000000003 +6: 1 7.400 0.000050669 -0.141563831 -0.141563836 0.000000004 +6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 +6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 +6: 1 8.000 0.000015954 -0.105308033 -0.105308040 0.000000007 +6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 +6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000012 +6: 1 8.600 0.000004589 -0.072448262 -0.072448275 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 -0.034645055 -0.000000093 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 -0.982776529 0.000000252 +7: 1 0.400 0.046677283 -0.990388812 -0.990388675 -0.000000138 +7: 1 0.600 0.045524817 -0.975266071 -0.975266034 -0.000000038 +7: 1 0.800 0.043959010 -0.975102121 -0.975102116 -0.000000004 +7: 1 1.000 0.042024703 -0.956001234 -0.956001256 0.000000022 +7: 1 1.200 0.039775757 -0.943081485 -0.943081490 0.000000005 +7: 1 1.400 0.037272568 -0.921422546 -0.921422546 -0.000000000 +7: 1 1.600 0.034579382 -0.899005838 -0.899005832 -0.000000007 +7: 1 1.800 0.031761587 -0.874045663 -0.874045664 0.000000001 +7: 1 2.000 0.028883127 -0.847548881 -0.847548883 0.000000002 +7: 1 2.200 0.026004187 -0.819424112 -0.819424107 -0.000000004 +7: 1 2.400 0.023179251 -0.789580695 -0.789580689 -0.000000006 +7: 1 2.600 0.020455616 -0.758088403 -0.758088405 0.000000002 +7: 1 2.800 0.017872394 -0.725194479 -0.725194482 0.000000003 +7: 1 3.000 0.015460016 -0.691188323 -0.691188322 -0.000000000 +7: 1 3.200 0.013240188 -0.656330566 -0.656330565 -0.000000001 +7: 1 3.400 0.011226266 -0.620864165 -0.620864165 -0.000000000 +7: 1 3.600 0.009423960 -0.585034090 -0.585034094 0.000000003 +7: 1 3.800 0.007832284 -0.549094197 -0.549094195 -0.000000002 +7: 1 4.000 0.006444664 -0.513309680 -0.513309679 -0.000000001 +7: 1 4.200 0.005250115 -0.477958213 -0.477958215 0.000000001 +7: 1 4.400 0.004234421 -0.443329016 -0.443329015 -0.000000001 +7: 1 4.600 0.003381238 -0.409718658 -0.409718658 -0.000000000 +7: 1 4.800 0.002673091 -0.377422521 -0.377422522 0.000000001 +7: 1 5.000 0.002092223 -0.346721404 -0.346721403 -0.000000000 +7: 1 5.200 0.001621280 -0.317864014 -0.317864011 -0.000000003 +7: 1 5.400 0.001243837 -0.291048148 -0.291048147 -0.000000002 +7: 1 5.600 0.000944766 -0.266406479 -0.266406481 0.000000002 8: Ex, Ec: -4.3915197423832808 -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 @@ -1887,43 +1990,6 @@ 1: GGA LYP 0 4 Ex 0.003171150 -0.623861473 0.627032623 2 1: GGA LYP 0 4 Ec 0.012192052 -0.059135458 0.071327510 2 1: GGA WC 0 1 Ex -0.396086582 -0.271935669 0.124150913 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 -9: libxc Ex, Ec, sum: -2.09822342 -2.09822342 -4.19644685 -9: -0.77367 -0.77146 -0.76482 -0.76250 -0.75239 -0.74512 -9: -0.73278 -0.72042 -0.70583 -0.69001 -0.67289 -0.65467 -9: -0.63545 -0.61533 -0.59429 -0.57225 -0.54897 -0.52411 -9: -0.49730 -0.46848 -0.43849 -0.40992 -0.38698 -0.37290 -9: -0.36315 -0.34398 -0.30778 -0.26529 -0.23213 -0.21168 -9: -0.19843 -0.18753 -0.17708 -0.16672 -0.15639 -0.14595 -9: -0.13516 -0.12347 -0.11059 -0.10133 -0.09618 -0.08875 -9: -0.07873 -0.06891 -0.05991 -0.05182 -0.04462 -0.03827 -9: -0.03269 -0.02782 -0.02359 -0.01993 -0.01678 -0.01408 -9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 -9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 -9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00033 -9: -0.00026 -0.00020 -0.00016 -0.00012 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 -1/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec 1: GGA WC 0 2 Ex -0.485626108 -0.609777010 0.124150902 2 1: GGA WC 0 3 Ex 0.005226898 -0.587574340 0.592801238 2 1: GGA WC 0 4 Ex 0.006557648 -0.368530169 0.375087817 2 @@ -1944,8 +2010,6 @@ 1: GGA PBEGcGxHEG 0 3 Ex 0.006507631 -0.424875020 0.431382651 2 1: GGA PBEGcGxHEG 0 4 Ex 0.008164452 -0.213255868 0.221420320 2 1: GGA PBESOL 0 1 Ex -0.384024583 -0.269710372 0.114314210 2 -6: 1 1.800 0.031761587 -0.886131875 -0.886131871 -0.000000004 -2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec 1: GGA PBESOL 0 2 Ex -0.481214942 -0.595529143 0.114314201 2 1: GGA PBESOL 0 3 Ex 0.005673518 -0.556117875 0.561791392 2 1: GGA PBESOL 0 4 Ex 0.007117976 -0.325530623 0.332648599 2 @@ -1962,7 +2026,6 @@ 1: GGA PW86 0 3 Ex 0.007166280 -0.657770228 0.664936509 2 1: GGA PW86 0 4 Ex 0.008990791 -0.355254697 0.364245488 2 1: GGA B88 0 1 Ex -0.377900631 -0.181501475 0.196399156 2 -6: 1 2.000 0.028883127 -0.861091739 -0.861091742 0.000000004 1: GGA B88 0 2 Ex -0.421179584 -0.617578729 0.196399144 2 1: GGA B88 0 3 Ex 0.002526422 -0.893069551 0.895595973 2 1: GGA B88 0 4 Ex 0.003169641 -0.623816328 0.626985969 2 @@ -1989,7 +2052,6 @@ 1: GGA PBE 0 3 Ex 0.063140665 0.167984438 0.104843773 2 1: GGA PBE 0 4 Ex -0.026371808 0.158151260 0.184523068 2 1: GGA RPBE 0 1 Ex -0.574721111 -0.490987306 0.083733805 2 -7: 1 0.400 0.046677283 -0.990388812 -0.990388675 -0.000000138 1: GGA RPBE 0 2 Ex -0.520197250 -0.603931069 0.083733819 2 1: GGA RPBE 0 3 Ex 0.071842062 0.191274334 0.119432273 2 1: GGA RPBE 0 4 Ex -0.030006100 0.179868440 0.209874540 2 @@ -2000,7 +2062,6 @@ 1: GGA LYP 0 1 Ex -0.504776390 -0.470442068 0.034334323 2 1: GGA LYP 0 1 Ec -1.279779069 -1.163172591 0.116606478 2 1: GGA LYP 0 2 Ex -0.491743075 -0.526077398 0.034334323 2 -6: 1 2.200 0.026004187 -0.834328425 -0.834328428 0.000000003 1: GGA LYP 0 2 Ec -0.800487050 -0.917093528 0.116606478 2 1: GGA LYP 0 3 Ex 0.017173036 0.146920220 0.129747184 2 1: GGA LYP 0 3 Ec 0.631527671 0.616200182 0.015327489 2 @@ -2028,7 +2089,6 @@ 1: GGA PBEGcGxHEG 0 4 Ex -0.007815846 0.101253002 0.109068848 2 1: GGA PBESOL 0 1 Ex -0.570129967 -0.523974838 0.046155129 2 1: GGA PBESOL 0 2 Ex -0.528995643 -0.575150785 0.046155142 2 -6: 1 2.400 0.023179251 -0.806073217 -0.806073218 0.000000000 1: GGA PBESOL 0 3 Ex 0.054199659 0.120811075 0.066611416 2 1: GGA PBESOL 0 4 Ex -0.022637440 0.094912806 0.117550246 2 1: GGA AM05 0 1 Ex -0.450489981 -0.457070556 0.006580575 2 @@ -2070,7 +2130,6 @@ 1: GGA PBE 0 3 Ex 0.058648797 0.567879039 0.509230242 2 1: GGA PBE 0 4 Ex 0.016268297 -0.762055141 0.778323438 2 1: GGA RPBE 0 1 Ex -0.200278503 -1.226031265 1.025752761 2 -6: 1 2.600 0.020455616 -0.776561113 -0.776561116 0.000000002 1: GGA RPBE 0 2 Ex -0.257619121 0.768133649 1.025752770 2 1: GGA RPBE 0 3 Ex 0.068086291 0.806401916 0.738315626 2 1: GGA RPBE 0 4 Ex 0.018886116 -1.085656680 1.104542796 2 @@ -2103,14 +2162,12 @@ 1: GGA PBEGcGxLO 0 3 Ex 0.062225873 0.549779416 0.487553543 2 1: GGA PBEGcGxLO 0 4 Ex 0.017260524 -0.740408204 0.757668729 2 1: GGA PBEGcGxHEG 0 1 Ex -0.188622313 -0.666628431 0.478006119 2 -6: 1 2.800 0.017872394 -0.746026275 -0.746026279 0.000000005 1: GGA PBEGcGxHEG 0 2 Ex -0.224667036 0.253339090 0.478006126 2 1: GGA PBEGcGxHEG 0 3 Ex 0.042799530 0.393346517 0.350546987 2 1: GGA PBEGcGxHEG 0 4 Ex 0.011871948 -0.526240856 0.538112804 2 1: GGA PBESOL 0 1 Ex -0.192725330 -0.851465786 0.658740456 2 1: GGA PBESOL 0 2 Ex -0.245130446 0.413610018 0.658740464 2 1: GGA PBESOL 0 3 Ex 0.062225873 0.549779416 0.487553543 2 -7: 1 0.600 0.045524817 -0.975266071 -0.975266034 -0.000000038 1: GGA PBESOL 0 4 Ex 0.017260524 -0.740408204 0.757668729 2 1: GGA AM05 0 1 Ex -0.148840153 -0.657275207 0.508435054 2 1: GGA AM05 0 1 Ec -0.033428464 -0.019899971 0.013528493 2 @@ -2147,7 +2204,6 @@ 1: GGA PW91 0 3 Ex 0.101898856 0.139725026 0.037826170 2 1: GGA PW91 0 4 Ex 0.041359039 -0.034460932 0.075819971 2 1: GGA PBE 0 1 Ex -0.820946335 -0.811640640 0.009305695 2 -6: 1 3.000 0.015460016 -0.714697437 -0.714697438 0.000000000 1: GGA PBE 0 2 Ex -0.812564005 -0.821869699 0.009305695 2 1: GGA PBE 0 3 Ex 0.004643171 0.054137162 0.049493990 2 1: GGA PBE 0 4 Ex 0.001884586 -0.099361714 0.101246300 2 @@ -2178,7 +2234,6 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.824461685 -0.818061654 0.006400031 2 1: GGA PBEJsJrHEG 0 2 Ex -0.727587561 -0.733987592 0.006400031 2 1: GGA PBEJsJrHEG 0 3 Ex 0.053660872 0.087700064 0.034039191 2 -6: 1 3.200 0.013240188 -0.682792452 -0.682792452 -0.000000001 1: GGA PBEJsJrHEG 0 4 Ex 0.021780049 -0.047851257 0.069631306 2 1: GGA PBEGcGxLO 0 1 Ex -0.822000728 -0.815116888 0.006883839 2 1: GGA PBEGcGxLO 0 2 Ex -0.801416078 -0.808299917 0.006883839 2 @@ -2216,7 +2271,6 @@ 1: GGA BH 0 2 Ex -0.783073213 -0.792297417 0.009224204 2 1: GGA BH 0 3 Ex 0.001618117 0.054853210 0.053235093 2 1: GGA BH 0 4 Ex 0.000656767 -0.109987950 0.110644717 2 -6: 1 3.400 0.011226266 -0.650510776 -0.650510775 -0.000000001 1: 1: iSpin dens gradDens 1: 1 0.083363325 1.002659819 0.090232260 0.687805719 @@ -2224,7 +2278,6 @@ 1: 3 0.039558639 -0.265118813 1.031011586 -0.513156481 1: 4 0.098572619 1.287666699 0.594205297 0.527799481 1: GGA PW91 0 1 Ex -0.276399047 -0.347230080 0.070831033 2 -7: 1 0.800 0.043959010 -0.975102121 -0.975102116 -0.000000004 1: GGA PW91 0 2 Ex -0.557771408 -0.486940373 0.070831035 2 1: GGA PW91 0 3 Ex -0.109780436 -0.043736691 0.066043745 2 1: GGA PW91 0 4 Ex -0.273552008 -0.336484322 0.062932314 2 @@ -2256,7 +2309,6 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.679854633 -0.616617620 0.063237013 2 1: GGA PBEJsJrLO 0 3 Ex -0.027339155 0.027425766 0.054764921 2 1: GGA PBEJsJrLO 0 4 Ex -0.068123985 -0.122624381 0.054500395 2 -6: 1 3.600 0.009423960 -0.618021733 -0.618021730 -0.000000002 1: GGA PBEJsJrHEG 0 1 Ex -0.567880959 -0.613735544 0.045854585 2 1: GGA PBEJsJrHEG 0 2 Ex -0.690869749 -0.645015165 0.045854584 2 1: GGA PBEJsJrHEG 0 3 Ex -0.047985392 -0.008216111 0.039769281 2 @@ -2290,7 +2342,6 @@ 1: GGA B88 0 3 Ex -0.018105999 -0.034029900 0.015923901 2 1: GGA B88 0 4 Ex -0.045116712 -0.105028129 0.059911417 2 1: GGA C09 0 1 Ex -0.683027079 -0.761684239 0.078657160 2 -6: 1 3.800 0.007832284 -0.585445444 -0.585445443 -0.000000000 1: GGA C09 0 2 Ex -0.646519460 -0.567862301 0.078657159 2 1: GGA C09 0 3 Ex 0.014243838 0.082649424 0.068405586 2 1: GGA C09 0 4 Ex 0.035492941 -0.032412143 0.067905084 2 @@ -2330,9 +2381,7 @@ 1: GGA LYP 0 4 Ec 0.197665802 0.240725004 0.043059202 2 1: GGA WC 0 1 Ex -0.246894048 -0.304173231 0.057279183 2 1: GGA WC 0 2 Ex -0.361357729 -0.304078550 0.057279178 2 -6: 1 4.000 0.006444664 -0.552823710 -0.552823708 -0.000000002 1: GGA WC 0 3 Ex 0.106240018 0.129007014 0.022766997 2 -7: 1 1.000 0.042024703 -0.956001234 -0.956001256 0.000000022 1: GGA WC 0 4 Ex -0.075582609 -0.086953315 0.011370706 2 1: GGA PBEJsJrLO 0 1 Ex -0.250700668 -0.300568294 0.049867626 2 1: GGA PBEJsJrLO 0 2 Ex -0.370280675 -0.320413054 0.049867621 2 @@ -2356,7 +2405,6 @@ 1: GGA PBESOL 0 4 Ex -0.073195729 -0.083397209 0.010201480 2 1: GGA AM05 0 1 Ex -1.061723584 -1.134546859 0.072823275 2 1: GGA AM05 0 1 Ec -0.097835769 -0.097667288 0.000168481 2 -6: 1 4.200 0.005250115 -0.520082870 -0.520082869 -0.000000001 1: GGA AM05 0 2 Ex -0.648229336 -0.575406061 0.072823275 2 1: GGA AM05 0 2 Ec -0.055503678 -0.055672160 0.000168481 2 1: GGA AM05 0 3 Ex -0.383786682 -0.365331801 0.018454881 2 @@ -2399,7 +2447,6 @@ 1: GGA RPBE 0 4 Ex -0.006266231 0.022877100 0.029143331 2 1: GGA revPBE 0 1 Ex -1.224850975 -1.230856714 0.006005738 2 1: GGA revPBE 0 2 Ex -1.273257471 -1.267251750 0.006005721 2 -6: 1 4.400 0.004234421 -0.487004137 -0.487004136 -0.000000000 1: GGA revPBE 0 3 Ex -0.079893599 -0.075052759 0.004840841 2 1: GGA revPBE 0 4 Ex 0.018247491 0.047408253 0.029160762 2 1: GGA LYP 0 1 Ex -1.076230881 -1.033672213 0.042558668 2 @@ -2412,7 +2459,6 @@ 1: GGA LYP 0 4 Ec 0.070468421 0.077488811 0.007020391 2 1: GGA WC 0 1 Ex -1.134215398 -1.140294129 0.006078730 2 1: GGA WC 0 2 Ex -1.110738506 -1.104659792 0.006078714 2 -7: 1 1.200 0.039775757 -0.943081485 -0.943081490 0.000000005 1: GGA WC 0 3 Ex 0.038747969 0.043370199 0.004622229 2 1: GGA WC 0 4 Ex -0.008849936 0.019450489 0.028300425 2 1: GGA PBEJsJrLO 0 1 Ex -1.135254026 -1.139441163 0.004187137 2 @@ -2424,6 +2470,63 @@ 1: GGA PBEJsJrHEG 0 3 Ex 0.106154650 0.109392992 0.003238342 2 1: GGA PBEJsJrHEG 0 4 Ex -0.024245447 -0.004290093 0.019955354 2 1: GGA PBEGcGxLO 0 1 Ex -1.133933017 -1.137210260 0.003277243 2 +6: 1 9.800 0.000000289 -0.029506017 -0.029505927 -0.000000089 +6: 1 10.000 0.000000176 -0.025033604 -0.025033523 -0.000000081 +6: 1 10.200 0.000000106 -0.021160723 -0.021160649 -0.000000073 +6: 1 10.400 0.000000063 -0.017822436 -0.017822370 -0.000000066 +6: 1 10.600 0.000000037 -0.014957437 -0.014957386 -0.000000051 +6: 1 10.800 0.000000022 -0.012508831 -0.012508778 -0.000000053 +6: 1 11.000 0.000000013 -0.010424505 -0.010424499 -0.000000007 +6: 1 11.200 0.000000007 -0.008657220 -0.008657193 -0.000000027 +6: 1 11.400 0.000000004 -0.007164525 -0.007164525 0.000000001 +6: 1 11.600 0.000000002 -0.005908554 -0.005908556 0.000000001 +6: 1 11.800 0.000000001 -0.004855756 -0.004855768 0.000000012 +6: iSpin r dens Vxc dExc/dDens diff +6: 2 0.000 0.031746818 -0.920374352 +6: 2 0.200 0.031588480 -0.919313228 -0.919313201 -0.000000027 +6: 2 0.400 0.031118189 -0.916129853 -0.916129830 -0.000000023 +6: 2 0.600 0.030349878 -0.908537498 -0.908537537 0.000000039 +6: 2 0.800 0.029306007 -0.899875935 -0.899875905 -0.000000029 +6: 2 1.000 0.028016469 -0.887406482 -0.887406471 -0.000000011 +6: 2 1.200 0.026517171 -0.873372400 -0.873372388 -0.000000012 +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 0.04 sec +2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.04 sec 1: GGA PBEGcGxLO 0 2 Ex -1.107918271 -1.104641045 0.003277226 2 1: GGA PBEGcGxLO 0 3 Ex 0.042936628 0.045697909 0.002761281 2 1: GGA PBEGcGxLO 0 4 Ex -0.009806614 0.006630101 0.016436715 2 @@ -2432,7 +2535,6 @@ 1: GGA PBEGcGxHEG 0 3 Ex 0.107786211 0.110459159 0.002672948 2 1: GGA PBEGcGxHEG 0 4 Ex -0.024618091 -0.008280897 0.016337194 2 1: GGA PBESOL 0 1 Ex -1.133933017 -1.137210260 0.003277243 2 -6: 1 4.600 0.003381238 -0.453240679 -0.453240679 0.000000000 1: GGA PBESOL 0 2 Ex -1.107918271 -1.104641045 0.003277226 2 1: GGA PBESOL 0 3 Ex 0.042936628 0.045697909 0.002761281 2 1: GGA PBESOL 0 4 Ex -0.009806614 0.006630101 0.016436715 2 @@ -2475,7 +2577,6 @@ 1: GGA PBE 0 3 Ex 0.092937605 0.106655807 0.013718202 2 1: GGA PBE 0 4 Ex 0.071258436 0.077191438 0.005933002 2 1: GGA RPBE 0 1 Ex -1.229172948 -1.257125586 0.027952638 2 -6: 1 4.800 0.002673091 -0.418441530 -0.418441529 -0.000000001 1: GGA RPBE 0 2 Ex -1.346811053 -1.318858422 0.027952631 2 1: GGA RPBE 0 3 Ex 0.086687046 0.101185503 0.014498458 2 1: GGA RPBE 0 4 Ex 0.066465919 0.072293254 0.005827335 2 @@ -2506,11 +2607,9 @@ 1: GGA PBEGcGxLO 0 1 Ex -1.213035425 -1.228514168 0.015478743 2 1: GGA PBEGcGxLO 0 2 Ex -1.352032263 -1.336553525 0.015478737 2 1: GGA PBEGcGxLO 0 3 Ex 0.102426210 0.110024699 0.007598489 2 -6: 1 5.000 0.002092223 -0.382520889 -0.382520887 -0.000000001 1: GGA PBEGcGxLO 0 4 Ex 0.078533674 0.082321396 0.003787722 2 1: GGA PBEGcGxHEG 0 1 Ex -1.104159714 -1.119460300 0.015300586 2 1: GGA PBEGcGxHEG 0 2 Ex -1.313556683 -1.298256103 0.015300580 2 -7: 1 1.400 0.037272568 -0.921422546 -0.921422546 -0.000000000 1: GGA PBEGcGxHEG 0 3 Ex 0.154303783 0.162034849 0.007731067 2 1: GGA PBEGcGxHEG 0 4 Ex 0.118309982 0.121767131 0.003457150 2 1: GGA PBESOL 0 1 Ex -1.213035425 -1.228514168 0.015478743 2 @@ -2549,7 +2648,6 @@ 1: 4 0.157220933 -4.610967490 -6.483840533 -2.062254847 1: GGA PW91 0 1 Ex -1.138943606 -0.977528625 0.161414981 2 1: GGA PW91 0 2 Ex -1.259790047 -1.421205022 0.161414974 2 -6: 1 5.200 0.001621280 -0.346003183 -0.346003182 -0.000000001 1: GGA PW91 0 3 Ex 0.000621642 -0.053633757 0.054255400 2 1: GGA PW91 0 4 Ex 0.036068239 -0.233406684 0.269474922 2 1: GGA PBE 0 1 Ex -1.117998146 -0.941670913 0.176327233 2 @@ -2580,7 +2678,6 @@ 1: GGA PBEJsJrLO 0 2 Ex -1.074940585 -1.230379330 0.155438745 2 1: GGA PBEJsJrLO 0 3 Ex -0.000221791 -0.117985273 0.117763482 2 1: GGA PBEJsJrLO 0 4 Ex -0.012868510 -0.271237196 0.258368686 2 -6: 1 5.400 0.001243837 -0.310216436 -0.310216436 0.000000000 1: GGA PBEJsJrHEG 0 1 Ex -1.148303939 -1.027092824 0.121211115 2 1: GGA PBEJsJrHEG 0 2 Ex -1.093037804 -1.214248913 0.121211109 2 1: GGA PBEJsJrHEG 0 3 Ex -0.000284293 -0.061108575 0.060824282 2 @@ -2590,7 +2687,6 @@ 1: GGA PBEGcGxLO 0 3 Ex -0.000498462 -0.131489626 0.130991164 2 1: GGA PBEGcGxLO 0 4 Ex -0.028921200 -0.267344639 0.238423439 2 1: GGA PBEGcGxHEG 0 1 Ex -1.147141786 -1.033640798 0.113500987 2 -7: 1 1.600 0.034579382 -0.899005838 -0.899005832 -0.000000007 1: GGA PBEGcGxHEG 0 2 Ex -1.057609337 -1.171110319 0.113500982 2 1: GGA PBEGcGxHEG 0 3 Ex -0.000460561 -0.072497561 0.072037000 2 1: GGA PBEGcGxHEG 0 4 Ex -0.026722158 -0.215622820 0.188900662 2 @@ -2612,7 +2708,6 @@ 1: GGA PW86 0 4 Ex -0.020301702 -0.349642216 0.329340514 2 1: GGA B88 0 1 Ex -1.093597005 -0.842693215 0.250903790 2 1: GGA B88 0 2 Ex -0.846752416 -1.097656198 0.250903781 2 -6: 1 5.600 0.000944766 -0.277074102 -0.277074102 -0.000000001 1: GGA B88 0 3 Ex -0.001269786 -0.352481442 0.351211656 2 1: GGA B88 0 4 Ex -0.073674074 -0.487946790 0.414272716 2 1: GGA C09 0 1 Ex -1.089344687 -0.891770005 0.197574681 2 @@ -2654,7 +2749,6 @@ 1: GGA LYP 0 4 Ex 0.022834882 0.251919236 0.229084354 2 1: GGA LYP 0 4 Ec -0.030116819 0.122490542 0.152607361 2 1: GGA WC 0 1 Ex -0.819366093 -0.655807855 0.163558238 2 -6: 1 5.800 0.000710460 -0.248426892 -0.248426893 0.000000001 1: GGA WC 0 2 Ex -0.795178791 -0.958737033 0.163558242 2 1: GGA WC 0 3 Ex -0.015882968 -0.091141627 0.075258659 2 1: GGA WC 0 4 Ex 0.004244636 0.188638573 0.184393937 2 @@ -2680,14 +2774,12 @@ 1: GGA PBESOL 0 4 Ex 0.007668555 0.189555625 0.181887070 2 1: GGA AM05 0 1 Ex -0.741523707 -0.636663916 0.104859791 2 1: GGA AM05 0 1 Ec -0.058933146 -0.063367549 0.004434403 2 -6: 1 6.000 0.000528944 -0.225324029 -0.225324030 0.000000001 1: GGA AM05 0 2 Ex -0.562126061 -0.666985852 0.104859791 2 1: GGA AM05 0 2 Ec -0.078512984 -0.074078581 0.004434403 2 1: GGA AM05 0 3 Ex -0.117804252 -0.175633304 0.057829051 2 1: GGA AM05 0 3 Ec 0.012857405 0.014743147 0.001885741 2 1: GGA AM05 0 4 Ex 0.031482540 0.113854917 0.082372377 2 1: GGA AM05 0 4 Ec -0.003436071 -0.009014159 0.005578088 2 -7: 1 1.800 0.031761587 -0.874045663 -0.874045664 0.000000001 1: GGA PW86 0 1 Ex -0.800726114 -0.567576322 0.233149792 2 1: GGA PW86 0 2 Ex -0.758096666 -0.991246461 0.233149796 2 1: GGA PW86 0 3 Ex -0.027993290 -0.135881124 0.107887835 2 @@ -2724,7 +2816,6 @@ 1: GGA RPBE 0 4 Ex 0.015058696 -0.166681091 0.181739787 2 1: GGA revPBE 0 1 Ex -0.554595369 -0.533045479 0.021549890 2 1: GGA revPBE 0 2 Ex -0.530145453 -0.551695343 0.021549889 2 -6: 1 6.200 0.000389881 -0.207630641 -0.207630641 0.000000001 1: GGA revPBE 0 3 Ex 0.017581284 0.079481116 0.061899832 2 1: GGA revPBE 0 4 Ex 0.004777192 -0.167883244 0.172660437 2 1: GGA LYP 0 1 Ex -0.617923606 -0.571629895 0.046293712 2 @@ -2755,7 +2846,6 @@ 1: GGA PBEGcGxHEG 0 2 Ex -0.414719334 -0.425931148 0.011211813 2 1: GGA PBEGcGxHEG 0 3 Ex 0.098991870 0.131197708 0.032205838 2 1: GGA PBEGcGxHEG 0 4 Ex 0.026898104 -0.062936278 0.089834382 2 -6: 1 6.400 0.000284517 -0.194187231 -0.194187233 0.000000002 1: GGA PBESOL 0 1 Ex -0.558123501 -0.545527115 0.012596386 2 1: GGA PBESOL 0 2 Ex -0.458018722 -0.470615107 0.012596386 2 1: GGA PBESOL 0 3 Ex 0.071982686 0.108163523 0.036180837 2 @@ -2799,9 +2889,7 @@ 1: GGA PBE 0 3 Ex -0.054754442 -0.328997935 0.274243493 2 1: GGA PBE 0 4 Ex 0.051960040 -0.020567857 0.072527897 2 1: GGA RPBE 0 1 Ex -0.942609276 -1.101803819 0.159194542 2 -6: 1 6.600 0.000205559 -0.183339501 -0.183339503 0.000000002 1: GGA RPBE 0 2 Ex -1.401682797 -1.242488264 0.159194534 2 -7: 1 2.000 0.028883127 -0.847548881 -0.847548883 0.000000002 1: GGA RPBE 0 3 Ex -0.120615180 -0.475655509 0.355040329 2 1: GGA RPBE 0 4 Ex 0.114459565 0.059573346 0.054886219 2 1: GGA revPBE 0 1 Ex -0.942160603 -1.064833100 0.122672496 2 @@ -2832,7 +2920,6 @@ 1: GGA PBEGcGxLO 0 2 Ex -1.079901972 -1.010033758 0.069868214 2 1: GGA PBEGcGxLO 0 3 Ex -0.026649764 -0.233150729 0.206500965 2 1: GGA PBEGcGxLO 0 4 Ex 0.025289689 -0.052203395 0.077493084 2 -6: 1 6.800 0.000147033 -0.173510692 -0.173510695 0.000000003 1: GGA PBEGcGxHEG 0 1 Ex -1.000377930 -1.065751121 0.065373192 2 1: GGA PBEGcGxHEG 0 2 Ex -1.059225890 -0.993852706 0.065373184 2 1: GGA PBEGcGxHEG 0 3 Ex -0.015461483 -0.188217879 0.172756396 2 @@ -2865,6 +2952,52 @@ 1: GGA BH 0 2 Ex -1.070723247 -1.003882459 0.066840787 2 1: GGA BH 0 3 Ex -0.036382204 -0.280068138 0.243685935 2 1: GGA BH 0 4 Ex 0.034525432 -0.088223614 0.122749046 2 +6: 2 1.400 0.024848378 -0.856614633 -0.856614620 -0.000000012 +6: 2 1.600 0.023052921 -0.837890983 -0.837890986 0.000000003 +6: 2 1.800 0.021174391 -0.817154056 -0.817154060 0.000000004 +6: 2 2.000 0.019255418 -0.794632457 -0.794632455 -0.000000001 +6: 2 2.200 0.017336125 -0.770502247 -0.770502244 -0.000000003 +6: 2 2.400 0.015452834 -0.744951774 -0.744951771 -0.000000003 +6: 2 2.600 0.013637077 -0.718168689 -0.718168688 -0.000000001 +6: 2 2.800 0.011914930 -0.690336837 -0.690336838 0.000000001 +6: 2 3.000 0.010306678 -0.661632866 -0.661632866 -0.000000000 +6: 2 3.200 0.008826792 -0.632223061 -0.632223058 -0.000000003 +6: 2 3.400 0.007484177 -0.602259891 -0.602259891 -0.000000000 +6: 2 3.600 0.006282640 -0.571876952 -0.571876952 -0.000000000 +6: 2 3.800 0.005221523 -0.541180002 -0.541180001 -0.000000001 +6: 2 4.000 0.004296443 -0.510231603 -0.510231604 0.000000001 +6: 2 4.200 0.003500077 -0.479029886 -0.479029886 0.000000000 +6: 2 4.400 0.002822947 -0.447492103 -0.447492103 0.000000000 +6: 2 4.600 0.002254159 -0.415472518 -0.415472519 0.000000001 +6: 2 4.800 0.001782061 -0.382860808 -0.382860807 -0.000000001 +6: 2 5.000 0.001394815 -0.349787495 -0.349787495 -0.000000000 +6: 2 5.200 0.001080853 -0.316870200 -0.316870199 -0.000000001 +6: 2 5.400 0.000829225 -0.285306984 -0.285306984 -0.000000000 +6: 2 5.600 0.000629844 -0.256619554 -0.256619554 -0.000000001 +7: 1 5.800 0.000710460 -0.244007114 -0.244007114 -0.000000001 +7: 1 6.000 0.000528944 -0.223883655 -0.223883656 0.000000001 +7: 1 6.200 0.000389881 -0.206110012 -0.206110014 0.000000001 +7: 1 6.400 0.000284517 -0.190918393 -0.190918393 -0.000000000 +7: 1 6.600 0.000205559 -0.178797194 -0.178797195 0.000000002 +7: 1 6.800 0.000147033 -0.170379794 -0.170379797 0.000000004 +7: 1 7.000 0.000104122 -0.165839032 -0.165839041 0.000000008 +7: 1 7.200 0.000072999 -0.163810071 -0.163810083 0.000000013 +7: 1 7.400 0.000050669 -0.160866313 -0.160866325 0.000000012 +7: 1 7.600 0.000034818 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-0.006813200 0.000343181 2 1: GGA AM05 0 4 Ex 0.010945441 0.069097451 0.058152010 2 1: GGA AM05 0 4 Ec -0.004593393 -0.004932091 0.000338699 2 1: GGA PW86 0 1 Ex -0.541513776 -0.380577606 0.160936170 2 1: GGA PW86 0 2 Ex -0.557135520 -0.718071698 0.160936178 2 -6: 2 3.800 0.005221523 -0.541180002 -0.541180001 -0.000000001 1: GGA PW86 0 3 Ex 0.018370760 -0.091127462 0.109498222 2 1: GGA PW86 0 4 Ex 0.011791451 0.075779635 0.063988184 2 1: GGA B88 0 1 Ex -0.416960685 -0.050133498 0.366827187 2 @@ -3791,7 +3896,6 @@ 1: GGA PW91 0 1 Ex -0.590266368 -0.623814708 0.033548340 2 1: GGA PW91 0 2 Ex -1.136906978 -1.103358629 0.033548349 2 1: GGA PW91 0 3 Ex 0.104664881 -0.522180944 0.626845825 2 -6: 2 4.000 0.004296443 -0.510231603 -0.510231604 0.000000001 1: GGA PW91 0 4 Ex 0.103591577 0.825447401 0.721855824 2 1: GGA PBE 0 1 Ex -0.562947783 -0.533544325 0.029403458 2 1: GGA PBE 0 2 Ex -0.785529824 -0.814933273 0.029403448 2 @@ -3807,7 +3911,6 @@ 1: GGA revPBE 0 4 Ex 0.059202452 0.574311916 0.515109464 2 1: GGA LYP 0 1 Ex -0.541592362 -0.428901808 0.112690553 2 1: GGA LYP 0 1 Ec -0.040078584 -0.097163684 0.057085100 2 -6: 2 4.200 0.003500077 -0.479029886 -0.479029886 0.000000000 1: GGA LYP 0 2 Ex -0.524127875 -0.636818428 0.112690553 2 1: GGA LYP 0 2 Ec -0.452726398 -0.395641298 0.057085100 2 1: GGA LYP 0 3 Ex -0.003343913 -0.400933824 0.397589912 2 @@ -3820,11 +3923,9 @@ 1: GGA WC 0 4 Ex 0.036872567 0.353193520 0.316320954 2 1: GGA PBEJsJrLO 0 1 Ex -0.559814639 -0.529783925 0.030030714 2 1: GGA PBEJsJrLO 0 2 Ex -0.742716961 -0.772747666 0.030030705 2 -7: 1 5.600 0.000944766 -0.266406479 -0.266406481 0.000000002 1: GGA PBEJsJrLO 0 3 Ex 0.035020175 -0.391008404 0.426028579 2 1: GGA PBEJsJrLO 0 4 Ex 0.034661055 0.385869373 0.351208319 2 1: GGA PBEJsJrHEG 0 1 Ex -0.575313569 -0.555130249 0.020183321 2 -6: 2 4.400 0.002822947 -0.447492103 -0.447492103 0.000000000 1: GGA PBEJsJrHEG 0 2 Ex -0.704154427 -0.724337739 0.020183312 2 1: GGA PBEJsJrHEG 0 3 Ex 0.024669065 -0.336275554 0.360944619 2 1: GGA PBEJsJrHEG 0 4 Ex 0.024416092 0.335847893 0.311431801 2 @@ -3832,13 +3933,22 @@ 1: GGA PBEGcGxLO 0 2 Ex -0.716164254 -0.746662377 0.030498123 2 1: GGA PBEGcGxLO 0 3 Ex 0.029707222 -0.340336853 0.370044075 2 1: GGA PBEGcGxLO 0 4 Ex 0.029402584 0.322813092 0.293410508 2 +6: 2 9.600 0.000000313 -0.030299188 -0.030299098 -0.000000090 +6: 2 9.800 0.000000193 -0.025795893 -0.025795813 -0.000000081 +6: 2 10.000 0.000000117 -0.021880577 -0.021880500 -0.000000077 +6: 2 10.200 0.000000071 -0.018492378 -0.018492313 -0.000000065 +6: 2 10.400 0.000000042 -0.015573224 -0.015573162 -0.000000061 +6: 2 10.600 0.000000025 -0.013068736 -0.013068683 -0.000000052 +7: 2 1.600 0.023052921 -0.829194760 -0.829194765 0.000000006 +7: 2 1.800 0.021174391 -0.806916840 -0.806916837 -0.000000003 +7: 2 2.000 0.019255418 -0.783153757 -0.783153759 0.000000001 +7: 2 2.200 0.017336125 -0.757597743 -0.757597747 0.000000005 1: GGA PBEGcGxHEG 0 1 Ex -0.573377583 -0.552978522 0.020399061 2 1: GGA PBEGcGxHEG 0 2 Ex -0.688754411 -0.709153464 0.020399053 2 1: GGA PBEGcGxHEG 0 3 Ex 0.022091118 -0.302658212 0.324749330 2 1: GGA PBEGcGxHEG 0 4 Ex 0.021864580 0.296156858 0.274292277 2 1: GGA PBESOL 0 1 Ex -0.561010265 -0.530512133 0.030498132 2 1: GGA PBESOL 0 2 Ex -0.716164254 -0.746662377 0.030498123 2 -6: 2 4.600 0.002254159 -0.415472518 -0.415472519 0.000000001 1: GGA PBESOL 0 3 Ex 0.029707222 -0.340336853 0.370044075 2 1: GGA PBESOL 0 4 Ex 0.029402584 0.322813092 0.293410508 2 1: GGA AM05 0 1 Ex -0.541167730 -0.469088180 0.072079549 2 @@ -3860,7 +3970,6 @@ 1: GGA C09 0 1 Ex -0.551529986 -0.499065124 0.052464862 2 1: GGA C09 0 2 Ex -0.758529568 -0.810994418 0.052464850 2 1: GGA C09 0 3 Ex 0.039634060 -0.291949271 0.331583331 2 -6: 2 4.800 0.001782061 -0.382860808 -0.382860807 -0.000000001 1: GGA C09 0 4 Ex 0.039227625 0.235820975 0.196593350 2 1: GGA BH 0 1 Ex -0.533608971 -0.480206419 0.053402552 2 1: GGA BH 0 2 Ex -0.695786191 -0.749188732 0.053402541 2 @@ -3879,9 +3988,7 @@ 1: GGA PBE 0 1 Ex -0.043814040 -0.042432997 0.001381043 2 1: GGA PBE 0 2 Ex -0.043426405 -0.044807447 0.001381042 2 1: GGA PBE 0 3 Ex -0.000052631 0.001715767 0.001768398 2 -7: 1 5.800 0.000710460 -0.244007114 -0.244007114 -0.000000001 1: GGA PBE 0 4 Ex -0.000179733 -0.002186781 0.002007047 2 -6: 2 5.000 0.001394815 -0.349787495 -0.349787495 -0.000000000 1: GGA revPBE 0 1 Ex -0.054392427 -0.051087396 0.003305031 2 1: GGA revPBE 0 2 Ex -0.053937297 -0.057242326 0.003305029 2 1: GGA revPBE 0 3 Ex -0.000061795 0.004169677 0.004231472 2 @@ -3896,7 +4003,6 @@ 1: GGA LYP 0 4 Ec 0.000100719 0.002727270 0.002626551 2 1: GGA WC 0 1 Ex -0.043738182 -0.041461653 0.002276529 2 1: GGA WC 0 2 Ex -0.043364579 -0.045641106 0.002276527 2 -6: 2 5.200 0.001080853 -0.316870200 -0.316870199 -0.000000001 1: GGA WC 0 3 Ex -0.000050725 0.002865289 0.002916015 2 1: GGA WC 0 4 Ex -0.000173227 -0.003481984 0.003308756 2 1: GGA PBEJsJrLO 0 1 Ex -0.043762433 -0.041762421 0.002000013 2 @@ -3910,7 +4016,6 @@ 1: GGA PBEGcGxLO 0 1 Ex -0.043725012 -0.041276278 0.002448735 2 1: GGA PBEGcGxLO 0 2 Ex -0.043355702 -0.045804436 0.002448734 2 1: GGA PBEGcGxLO 0 3 Ex -0.000050143 0.003085064 0.003135207 2 -6: 2 5.400 0.000829225 -0.285306984 -0.285306984 -0.000000000 1: GGA PBEGcGxLO 0 4 Ex -0.000171237 -0.003729879 0.003558642 2 1: GGA PBEGcGxHEG 0 1 Ex -0.037696297 -0.036539706 0.001156590 2 1: GGA PBEGcGxHEG 0 2 Ex -0.037362257 -0.038518847 0.001156589 2 @@ -3924,8 +4029,6 @@ 1: GGA AM05 0 1 Ec -0.009766802 -0.009783852 0.000017050 2 1: GGA AM05 0 2 Ex -0.047434353 -2.591564317 2.544129964 2 1: GGA AM05 0 2 Ec -0.009915216 -0.009898166 0.000017050 2 -7: 1 6.000 0.000528944 -0.223883655 -0.223883656 0.000000001 -6: 2 5.600 0.000629844 -0.256619554 -0.256619554 -0.000000001 1: GGA AM05 0 3 Ex 0.000296876 3.293323876 3.293027001 2 1: GGA AM05 0 3 Ec 0.000020151 -0.000001681 0.000021832 2 1: GGA AM05 0 4 Ex 0.001013831 -3.706758954 3.707772785 2 @@ -3949,7 +4052,6 @@ 1: 3 -0.001302062 -0.000392476 0.028883797 0.004183345 1: 4 0.002645818 -0.046741036 -0.042516548 -0.000174478 1: GGA PW91 0 1 Ex -0.212502489 -0.136671961 0.075830528 2 -6: 2 5.800 0.000473640 -0.232083909 -0.232083909 0.000000000 1: GGA PW91 0 2 Ex -0.453182271 -0.529012794 0.075830523 2 1: GGA PW91 0 3 Ex 0.114872825 0.115916868 0.001044043 2 1: GGA PW91 0 4 Ex -0.233424048 -0.193816431 0.039607617 2 @@ -3960,10 +4062,19 @@ 1: GGA RPBE 0 1 Ex -0.308924616 -0.308925650 0.000001034 2 1: GGA RPBE 0 2 Ex -0.390260021 -0.390258980 0.000001041 2 1: GGA revPBE 0 1 Ex -0.356678776 -0.369327229 0.012648454 2 -6: 2 6.000 0.000352629 -0.212182116 -0.212182116 0.000000000 1: GGA revPBE 0 2 Ex -0.423487666 -0.410839204 0.012648462 2 1: GGA revPBE 0 3 Ex 0.031886874 0.031816999 0.000069876 2 1: GGA revPBE 0 4 Ex -0.064794814 -0.071350007 0.006555193 2 +7: 2 2.400 0.015452834 -0.730277351 -0.730277355 0.000000003 +7: 2 2.600 0.013637077 -0.701421448 -0.701421450 0.000000002 +7: 2 2.800 0.011914930 -0.671294327 -0.671294326 -0.000000000 +7: 2 3.000 0.010306678 -0.640127830 -0.640127830 -0.000000000 +6: 2 10.800 0.000000015 -0.010928714 -0.010928684 -0.000000030 +6: 2 11.000 0.000000008 -0.009107337 -0.009107286 -0.000000051 +6: 2 11.200 0.000000005 -0.007563161 -0.007563175 0.000000014 +6: 2 11.400 0.000000003 -0.006258998 -0.006258990 -0.000000008 +6: 2 11.600 0.000000002 -0.005161710 -0.005161565 -0.000000145 +6: avgDiffVxc, maxDiffVxc = 0.000000027 0.000000145 1: GGA LYP 0 1 Ex -0.256940272 -0.436963642 0.180023370 2 1: GGA LYP 0 1 Ec 0.922257850 0.612051791 0.310206059 2 1: GGA LYP 0 2 Ex -0.265712577 -0.085689207 0.180023370 2 @@ -3973,16 +4084,15 @@ 1: GGA LYP 0 4 Ex -0.008507849 -0.115921427 0.107413578 2 1: GGA LYP 0 4 Ec -0.479797313 -0.612808829 0.133011516 2 1: GGA WC 0 1 Ex -0.295221434 -0.301052765 0.005831331 2 -7: 1 6.200 0.000389881 -0.206110012 -0.206110014 0.000000001 1: GGA WC 0 2 Ex -0.360474252 -0.354642914 0.005831338 2 1: GGA WC 0 3 Ex 0.031144184 0.031093136 0.000051048 2 1: GGA WC 0 4 Ex -0.063285652 -0.066317067 0.003031415 2 1: GGA PBEJsJrLO 0 1 Ex -0.291970467 -0.299717094 0.007746627 2 1: GGA PBEJsJrLO 0 2 Ex -0.352263901 -0.344517268 0.007746634 2 -6: 2 6.200 0.000259921 -0.196433380 -0.196433380 -0.000000000 1: GGA PBEJsJrLO 0 3 Ex 0.028777145 0.028735102 0.000042043 2 1: GGA PBEJsJrLO 0 4 Ex -0.058475778 -0.062490176 0.004014399 2 1: GGA PBEJsJrHEG 0 1 Ex -0.257414341 -0.261285823 0.003871482 2 +3/9 Test #6: libgridxc_test_libxc ............. Passed 0.08 sec 1: GGA PBEJsJrHEG 0 2 Ex -0.316947382 -0.313075894 0.003871488 2 1: GGA PBEJsJrHEG 0 3 Ex 0.028414221 0.028394934 0.000019287 2 1: GGA PBEJsJrHEG 0 4 Ex -0.057738308 -0.059743708 0.002005400 2 @@ -3992,12 +4102,12 @@ 1: GGA PBEGcGxLO 0 4 Ex -0.054751937 -0.059476427 0.004724490 2 1: GGA PBEGcGxHEG 0 1 Ex -0.255753321 -0.260362648 0.004609327 2 1: GGA PBEGcGxHEG 0 2 Ex -0.313252080 -0.308642747 0.004609333 2 -6: 2 6.400 0.000189678 -0.183672030 -0.183672031 0.000000000 1: GGA PBEGcGxHEG 0 3 Ex 0.027443289 0.027419316 0.000023973 2 1: GGA PBEGcGxHEG 0 4 Ex -0.055765353 -0.058153450 0.002388097 2 1: GGA PBESOL 0 1 Ex -0.288780131 -0.297894203 0.009114072 2 1: GGA PBESOL 0 2 Ex -0.345233973 -0.336119895 0.009114079 2 1: GGA PBESOL 0 3 Ex 0.026944566 0.026892127 0.000052439 2 +7: 2 3.200 0.008826792 -0.608140908 -0.608140905 -0.000000003 1: GGA PBESOL 0 4 Ex -0.054751937 -0.059476427 0.004724490 2 1: GGA AM05 0 1 Ex -0.213820858 -0.332767818 0.118946960 2 1: GGA AM05 0 1 Ec -0.048685274 -0.048660736 0.000024538 2 @@ -4010,10 +4120,8 @@ 1: GGA PW86 0 2 Ex -0.332831831 -0.274710723 0.058121108 2 1: GGA PW86 0 3 Ex 0.012141446 0.004797330 0.007344115 2 1: GGA PW86 0 4 Ex -0.024671678 -0.058249733 0.033578055 2 -6: 2 6.600 0.000137039 -0.172541723 -0.172541727 0.000000003 1: GGA B88 0 1 Ex -0.256933806 -0.436954471 0.180020665 2 1: GGA B88 0 2 Ex -0.265703005 -0.085682330 0.180020675 2 -7: 1 6.400 0.000284517 -0.190918393 -0.190918393 -0.000000000 1: GGA B88 0 3 Ex 0.004185406 -0.025489976 0.029675382 2 1: GGA B88 0 4 Ex -0.008504835 -0.115916912 0.107412077 2 1: GGA C09 0 1 Ex -0.369812314 -0.375826410 0.006014096 2 @@ -4033,7 +4141,6 @@ 1: GGA PW91 0 1 Ex -0.092474745 -0.178518468 0.086043723 2 1: GGA PW91 0 2 Ex -0.174104555 -0.088060832 0.086043724 2 1: GGA PW91 0 3 Ex -0.076059594 -0.125311130 0.049251536 2 -6: 2 6.800 0.000098022 -0.161917868 -0.161917872 0.000000004 1: GGA PW91 0 4 Ex -0.055683855 -0.051478217 0.004205639 2 1: GGA PBE 0 1 Ex -0.242891606 -0.322840310 0.079948704 2 1: GGA PBE 0 2 Ex -0.240225253 -0.160276550 0.079948704 2 @@ -4047,26 +4154,29 @@ 1: GGA revPBE 0 2 Ex -0.245551221 -0.107952230 0.137598991 2 1: GGA revPBE 0 3 Ex 0.030704757 -0.047621997 0.078326754 2 1: GGA revPBE 0 4 Ex 0.022479206 0.028610458 0.006131252 2 -6: 2 7.000 0.000069415 -0.151110560 -0.151110564 0.000000004 1: GGA LYP 0 1 Ex -0.239372036 -0.488236537 0.248864501 2 1: GGA LYP 0 1 Ec -0.599237664 -0.526070750 0.073166914 2 1: GGA LYP 0 2 Ex -0.205668056 0.043196445 0.248864501 2 1: GGA LYP 0 2 Ec -0.359973143 -0.433140057 0.073166914 2 1: GGA LYP 0 3 Ex 0.031404104 -0.099745176 0.131149280 2 1: GGA LYP 0 3 Ec 0.222937702 0.233213865 0.010276163 2 +7: 2 3.400 0.007484177 -0.575559240 -0.575559243 0.000000003 +7: 2 3.600 0.006282640 -0.542620903 -0.542620903 0.000000000 +7: 2 3.800 0.005221523 -0.509578436 -0.509578435 -0.000000001 +7: 2 4.000 0.004296443 -0.476699712 -0.476699713 0.000000001 +7: 2 4.200 0.003500077 -0.444266875 -0.444266877 0.000000001 +7: 2 4.400 0.002822947 -0.412572354 -0.412572352 -0.000000002 1: GGA LYP 0 4 Ex 0.022991203 0.019718800 0.003272403 2 1: GGA LYP 0 4 Ec 0.163214527 0.202807688 0.039593162 2 1: GGA WC 0 1 Ex -0.233823727 -0.335740298 0.101916571 2 1: GGA WC 0 2 Ex -0.220091637 -0.118175067 0.101916570 2 1: GGA WC 0 3 Ex 0.012795046 -0.045221722 0.058016767 2 1: GGA WC 0 4 Ex 0.009367358 0.013911171 0.004543812 2 -7: 1 6.600 0.000205559 -0.178797194 -0.178797195 0.000000002 1: GGA PBEJsJrLO 0 1 Ex -0.236165142 -0.324137716 0.087972574 2 1: GGA PBEJsJrLO 0 2 Ex -0.225291860 -0.137319286 0.087972574 2 1: GGA PBEJsJrLO 0 3 Ex 0.010131316 -0.039946890 0.050078206 2 1: GGA PBEJsJrLO 0 4 Ex 0.007417220 0.011338216 0.003920996 2 1: GGA PBEJsJrHEG 0 1 Ex -0.215677479 -0.270490219 0.054812740 2 -6: 2 7.200 0.000048666 -0.139861549 -0.139861554 0.000000005 1: GGA PBEJsJrHEG 0 2 Ex -0.221976611 -0.167163871 0.054812740 2 1: GGA PBEJsJrHEG 0 3 Ex -0.005869295 -0.037073367 0.031204072 2 1: GGA PBEJsJrHEG 0 4 Ex -0.004296959 -0.001851140 0.002445819 2 @@ -4079,7 +4189,6 @@ 1: GGA PBEGcGxHEG 0 3 Ex -0.002895356 -0.036051894 0.033156538 2 1: GGA PBEGcGxHEG 0 4 Ex -0.002119714 0.000477812 0.002597526 2 1: GGA PBESOL 0 1 Ex -0.232889570 -0.323029015 0.090139444 2 -6: 2 7.400 0.000033779 -0.128226737 -0.128226743 0.000000006 1: GGA PBESOL 0 2 Ex -0.218176688 -0.128037244 0.090139444 2 1: GGA PBESOL 0 3 Ex 0.013708912 -0.037600095 0.051309007 2 1: GGA PBESOL 0 4 Ex 0.010036407 0.014050312 0.004013905 2 @@ -4100,7 +4209,6 @@ 1: GGA B88 0 3 Ex 0.031403945 -0.099743935 0.131147880 2 1: GGA B88 0 4 Ex 0.022991087 0.019718664 0.003272423 2 1: GGA C09 0 1 Ex -0.258829169 -0.435577318 0.176748149 2 -6: 2 7.600 0.000023212 -0.116433222 -0.116433229 0.000000007 1: GGA C09 0 2 Ex -0.196386645 -0.019638497 0.176748148 2 1: GGA C09 0 3 Ex 0.058181600 -0.042459121 0.100640722 2 1: GGA C09 0 4 Ex 0.042595229 0.050510158 0.007914930 2 @@ -4117,12 +4225,10 @@ 1: GGA PW91 0 1 Ex -1.276559787 -1.092351453 0.184208334 2 1: GGA PW91 0 2 Ex -1.289278297 -1.473486616 0.184208319 2 1: GGA PW91 0 3 Ex 0.004464320 0.692526836 0.688062516 2 -7: 1 6.800 0.000147033 -0.170379794 -0.170379797 0.000000004 1: GGA PW91 0 4 Ex -0.012796273 0.318797050 0.331593322 2 1: GGA PBE 0 1 Ex -1.305762718 -1.129665190 0.176097528 2 1: GGA PBE 0 2 Ex -1.296663609 -1.472761122 0.176097513 2 1: GGA PBE 0 3 Ex -0.003193875 0.652605439 0.655799314 2 -6: 2 7.800 0.000015792 -0.104762753 -0.104762762 0.000000009 1: GGA PBE 0 4 Ex 0.009154742 0.325461432 0.316306690 2 1: GGA RPBE 0 1 Ex -1.285208206 -1.047682569 0.237525638 2 1: GGA RPBE 0 2 Ex -1.223383602 -1.460909224 0.237525622 2 @@ -4140,7 +4246,6 @@ 1: GGA LYP 0 3 Ec 0.007729313 -0.021487985 0.029217298 2 1: GGA LYP 0 4 Ex -0.097379939 0.338687950 0.436067889 2 1: GGA LYP 0 4 Ec -0.022154864 -0.035367621 0.013212757 2 -6: 2 8.000 0.000010636 -0.093477793 -0.093477805 0.000000012 1: GGA WC 0 1 Ex -1.193265414 -1.027763718 0.165501696 2 1: GGA WC 0 2 Ex -1.273872213 -1.439373895 0.165501682 2 1: GGA WC 0 3 Ex 0.028293764 0.650725070 0.622431306 2 @@ -4153,7 +4258,6 @@ 1: GGA PBEJsJrHEG 0 2 Ex -1.314427759 -1.435402456 0.120974697 2 1: GGA PBEJsJrHEG 0 3 Ex 0.009461073 0.459957487 0.450496414 2 1: GGA PBEJsJrHEG 0 4 Ex -0.027118683 0.190168720 0.217287403 2 -6: 2 8.200 0.000007092 -0.082785576 -0.082785590 0.000000014 1: GGA PBEGcGxLO 0 1 Ex -1.190923711 -1.038049563 0.152874148 2 1: GGA PBEGcGxLO 0 2 Ex -1.247558971 -1.400433106 0.152874134 2 1: GGA PBEGcGxLO 0 3 Ex 0.019879523 0.593001942 0.573122419 2 @@ -4162,12 +4266,10 @@ 1: GGA PBEGcGxHEG 0 2 Ex -1.297690682 -1.414311274 0.116620592 2 1: GGA PBEGcGxHEG 0 3 Ex 0.015137879 0.450461851 0.435323972 2 1: GGA PBEGcGxHEG 0 4 Ex -0.043390359 0.166439911 0.209830270 2 -7: 1 7.000 0.000104122 -0.165839032 -0.165839041 0.000000008 1: GGA PBESOL 0 1 Ex -1.190923711 -1.038049563 0.152874148 2 1: GGA PBESOL 0 2 Ex -1.247558971 -1.400433106 0.152874134 2 1: GGA PBESOL 0 3 Ex 0.019879523 0.593001942 0.573122419 2 1: GGA PBESOL 0 4 Ex -0.056981537 0.218939997 0.275921534 2 -6: 2 8.400 0.000004681 -0.072828254 -0.072828270 0.000000016 1: GGA AM05 0 1 Ex -1.047562842 -0.912681364 0.134881478 2 1: GGA AM05 0 1 Ec -0.082016471 -0.083576715 0.001560244 2 1: GGA AM05 0 2 Ex -1.180443347 -1.315324826 0.134881478 2 @@ -4191,7 +4293,6 @@ 1: GGA BH 0 1 Ex -1.073094889 -0.861639648 0.211455241 2 1: GGA BH 0 2 Ex -1.147605480 -1.359060707 0.211455227 2 1: GGA BH 0 3 Ex 0.026153936 0.823403614 0.797249678 2 -6: 2 8.600 0.000003059 -0.063687629 -0.063687643 0.000000014 1: GGA BH 0 4 Ex -0.074966160 0.308260668 0.383226828 2 1: 1: iSpin dens gradDens @@ -4209,7 +4310,6 @@ 1: GGA PBE 0 4 Ex -0.003300546 -0.002995864 0.000304682 2 1: GGA RPBE 0 1 Ex -0.277159936 -0.277157509 0.000002427 2 1: GGA RPBE 0 2 Ex -0.185633377 -0.185635826 0.000002449 2 -6: 2 8.800 0.000001979 -0.055396187 -0.055396188 0.000000001 1: GGA RPBE 0 3 Ex 0.064444931 0.064446706 0.000001775 2 1: GGA revPBE 0 1 Ex -0.288057183 -0.285549041 0.002508143 2 1: GGA revPBE 0 2 Ex -0.215718691 -0.218226860 0.002508169 2 @@ -4221,14 +4321,12 @@ 1: GGA LYP 0 2 Ec -0.869087036 -0.665343595 0.203743441 2 1: GGA LYP 0 3 Ex -0.053213937 -0.000559632 0.052654306 2 1: GGA LYP 0 3 Ec -0.257298012 -0.373846009 0.116547997 2 -7: 1 7.200 0.000072999 -0.163810071 -0.163810083 0.000000013 1: GGA LYP 0 4 Ex 0.003421757 -0.108332909 0.111754666 2 1: GGA LYP 0 4 Ec 0.016544750 0.454061762 0.437517012 2 1: GGA WC 0 1 Ex -0.250059474 -0.248896941 0.001162533 2 1: GGA WC 0 2 Ex -0.178318596 -0.179481150 0.001162554 2 1: GGA WC 0 3 Ex 0.050513599 0.051358928 0.000845329 2 1: GGA WC 0 4 Ex -0.003248120 -0.002940396 0.000307724 2 -6: 2 9.000 0.000001268 -0.047949450 -0.047949418 -0.000000032 1: GGA PBEJsJrLO 0 1 Ex -0.242335522 -0.240794617 0.001540905 2 1: GGA PBEJsJrLO 0 2 Ex -0.176266558 -0.177807484 0.001540926 2 1: GGA PBEJsJrLO 0 3 Ex 0.046519938 0.047640572 0.001120634 2 @@ -4241,7 +4339,6 @@ 1: GGA PBEGcGxLO 0 2 Ex -0.174618854 -0.176413325 0.001794471 2 1: GGA PBEGcGxLO 0 3 Ex 0.043374522 0.044679529 0.001305007 2 1: GGA PBEGcGxLO 0 4 Ex -0.002789064 -0.002311140 0.000477924 2 -6: 2 9.200 0.000000804 -0.041317198 -0.041317116 -0.000000082 1: GGA PBEGcGxHEG 0 1 Ex -0.217714326 -0.216790625 0.000923701 2 1: GGA PBEGcGxHEG 0 2 Ex -0.154127751 -0.155051471 0.000923720 2 1: GGA PBEGcGxHEG 0 3 Ex 0.044772058 0.045443835 0.000671777 2 @@ -4258,7 +4355,6 @@ 1: GGA AM05 0 3 Ec -0.014691473 -0.014695467 0.000003993 2 1: GGA AM05 0 4 Ex 0.002979346 -0.063298612 0.066277958 2 1: GGA AM05 0 4 Ec 0.000944690 0.000943236 0.000001454 2 -6: 2 9.400 0.000000504 -0.035452601 -0.035452510 -0.000000091 1: GGA PW86 0 1 Ex -0.251753838 -0.236886283 0.014867556 2 1: GGA PW86 0 2 Ex -0.290552477 -0.305420066 0.014867588 2 1: GGA PW86 0 3 Ex -0.027318580 -0.017612509 0.009706071 2 @@ -4274,7 +4370,6 @@ 1: GGA BH 0 1 Ex -0.256256769 -0.241767523 0.014489246 2 1: GGA BH 0 2 Ex -0.288902281 -0.303391560 0.014489278 2 1: GGA BH 0 3 Ex -0.022986091 -0.013539412 0.009446679 2 -7: 1 7.400 0.000050669 -0.160866313 -0.160866325 0.000000012 1: GGA BH 0 4 Ex 0.001478049 -0.011621959 0.013100008 2 1: 1: iSpin dens gradDens @@ -4283,7 +4378,6 @@ 1: 3 -0.043584136 0.322186261 0.262662642 0.297687237 1: 4 -0.006562084 0.402622504 -0.505835728 0.154684072 1: GGA PW91 0 1 Ex -0.560717002 -0.527774641 0.032942361 2 -6: 2 9.600 0.000000313 -0.030299188 -0.030299098 -0.000000090 1: GGA PW91 0 2 Ex -0.609522508 -0.642464848 0.032942340 2 1: GGA PW91 0 3 Ex 0.058072276 0.057480016 0.000592259 2 1: GGA PW91 0 4 Ex 0.008743437 -0.079264319 0.088007756 2 @@ -4296,7 +4390,6 @@ 1: GGA RPBE 0 3 Ex 0.058228843 0.059577210 0.001348367 2 1: GGA RPBE 0 4 Ex 0.008767010 -0.120429022 0.129196032 2 1: GGA revPBE 0 1 Ex -0.521714576 -0.480810383 0.040904193 2 -6: 2 9.800 0.000000193 -0.025795893 -0.025795813 -0.000000081 1: GGA revPBE 0 2 Ex -0.572956507 -0.613860679 0.040904172 2 1: GGA revPBE 0 3 Ex 0.060971308 0.062713031 0.001741723 2 1: GGA revPBE 0 4 Ex 0.009179919 -0.116551019 0.125730938 2 @@ -4313,11 +4406,9 @@ 1: GGA WC 0 3 Ex 0.075117131 0.078830784 0.003713653 2 1: GGA WC 0 4 Ex 0.011309732 -0.082611386 0.093921119 2 1: GGA PBEJsJrLO 0 1 Ex -0.552544596 -0.525016107 0.027528489 2 -6: 2 10.000 0.000000117 -0.021880577 -0.021880500 -0.000000077 1: GGA PBEJsJrLO 0 2 Ex -0.604510868 -0.632039337 0.027528469 2 1: GGA PBEJsJrLO 0 3 Ex 0.061833181 0.062475407 0.000642226 2 1: GGA PBEJsJrLO 0 4 Ex 0.009309684 -0.071787287 0.081096970 2 -7: 1 7.600 0.000034818 -0.153027998 -0.153027990 -0.000000007 1: GGA PBEJsJrHEG 0 1 Ex -0.577948796 -0.554579029 0.023369767 2 1: GGA PBEJsJrHEG 0 2 Ex -0.624157348 -0.647527096 0.023369748 2 1: GGA PBEJsJrHEG 0 3 Ex 0.054982234 0.052833680 0.002148554 2 @@ -4327,7 +4418,6 @@ 1: GGA PBEGcGxLO 0 3 Ex 0.066915455 0.068896644 0.001981189 2 1: GGA PBEGcGxLO 0 4 Ex 0.010074877 -0.070384945 0.080459823 2 1: GGA PBEGcGxHEG 0 1 Ex -0.572178078 -0.551229058 0.020949020 2 -6: 2 10.200 0.000000071 -0.018492378 -0.018492313 -0.000000065 1: GGA PBEGcGxHEG 0 2 Ex -0.622765143 -0.643714144 0.020949002 2 1: GGA PBEGcGxHEG 0 3 Ex 0.060192101 0.059588913 0.000603189 2 1: GGA PBEGcGxHEG 0 4 Ex 0.009062601 -0.045399402 0.054462003 2 @@ -4345,7 +4435,6 @@ 1: GGA AM05 0 4 Ec -0.001410916 -0.001926305 0.000515388 2 1: GGA PW86 0 1 Ex -0.591104470 -0.555753026 0.035351445 2 1: GGA PW86 0 2 Ex -0.624869188 -0.660220612 0.035351424 2 -6: 2 10.400 0.000000042 -0.015573224 -0.015573162 -0.000000061 1: GGA PW86 0 3 Ex 0.040175672 0.033475665 0.006700007 2 1: GGA PW86 0 4 Ex 0.006048901 -0.048116038 0.054164939 2 1: GGA B88 0 1 Ex -0.538739479 -0.503736737 0.035002743 2 @@ -4369,9 +4458,7 @@ 1: GGA PW91 0 1 Ex -0.087580094 -0.167263616 0.079683522 2 1: GGA PW91 0 2 Ex -0.170480045 -0.090796534 0.079683511 2 1: GGA PW91 0 3 Ex -0.075552119 0.049881089 0.125433208 2 -6: 2 10.600 0.000000025 -0.013068736 -0.013068683 -0.000000052 1: GGA PW91 0 4 Ex 0.084847508 0.235466246 0.150618738 2 -7: 1 7.800 0.000023687 -0.138670726 -0.138670683 -0.000000044 1: GGA PBE 0 1 Ex -0.141123783 -0.132841601 0.008282182 2 1: GGA PBE 0 2 Ex -0.151592967 -0.159875167 0.008282199 2 1: GGA PBE 0 3 Ex -0.009541249 -0.022473824 0.012932575 2 @@ -4384,7 +4471,6 @@ 1: GGA revPBE 0 2 Ex -0.176233315 -0.194418852 0.018185537 2 1: GGA revPBE 0 3 Ex -0.006260627 -0.034668850 0.028408223 2 1: GGA revPBE 0 4 Ex 0.007030889 -0.027149132 0.034180021 2 -6: 2 10.800 0.000000015 -0.010928714 -0.010928684 -0.000000030 1: GGA LYP 0 1 Ex -0.145935873 -0.211462318 0.065526444 2 1: GGA LYP 0 1 Ec -0.379882610 -0.076094578 0.303788032 2 1: GGA LYP 0 2 Ex -0.125685929 -0.060159485 0.065526444 2 @@ -4401,7 +4487,6 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.146973435 -0.158145703 0.011172268 2 1: GGA PBEJsJrLO 0 3 Ex -0.007456109 -0.024907372 0.017451263 2 1: GGA PBEJsJrLO 0 4 Ex 0.008373455 -0.012623846 0.020997301 2 -6: 2 11.000 0.000000008 -0.009107337 -0.009107286 -0.000000051 1: GGA PBEJsJrHEG 0 1 Ex -0.122521219 -0.116854471 0.005666747 2 1: GGA PBEJsJrHEG 0 2 Ex -0.132630047 -0.138296809 0.005666762 2 1: GGA PBEJsJrHEG 0 3 Ex -0.009212833 -0.018061403 0.008848570 2 @@ -4414,11 +4499,9 @@ 1: GGA PBEGcGxHEG 0 2 Ex -0.130997329 -0.137694187 0.006696858 2 1: GGA PBEGcGxHEG 0 3 Ex -0.008475190 -0.018933982 0.010458791 2 1: GGA PBEGcGxHEG 0 4 Ex 0.009517917 -0.003066626 0.012584543 2 -6: 2 11.200 0.000000005 -0.007563161 -0.007563175 0.000000014 1: GGA PBESOL 0 1 Ex -0.137258541 -0.124247272 0.013011268 2 1: GGA PBESOL 0 2 Ex -0.143944598 -0.156955883 0.013011285 2 1: GGA PBESOL 0 3 Ex -0.006093439 -0.026422399 0.020328960 2 -7: 1 8.000 0.000015954 -0.119748941 -0.119748847 -0.000000094 1: GGA PBESOL 0 4 Ex 0.006843132 -0.017615004 0.024458136 2 1: GGA AM05 0 1 Ex -0.122721929 -0.158288635 0.035566706 2 1: GGA AM05 0 1 Ec -0.026069708 -0.026134108 0.000064400 2 @@ -4435,7 +4518,6 @@ 1: GGA B88 0 1 Ex -0.145935377 -0.211461922 0.065526544 2 1: GGA B88 0 2 Ex -0.125685596 -0.060159090 0.065526506 2 1: GGA B88 0 3 Ex 0.018454944 -0.053919188 0.072374132 2 -6: 2 11.400 0.000000003 -0.006258998 -0.006258990 -0.000000008 1: GGA B88 0 4 Ex -0.020725507 -0.053159460 0.032433953 2 1: GGA C09 0 1 Ex -0.172347863 -0.156658783 0.015689080 2 1: GGA C09 0 2 Ex -0.181562064 -0.197251165 0.015689101 2 @@ -4456,15 +4538,11 @@ 1: GGA PW91 0 3 Ex 0.000132176 -0.006092578 0.006224754 2 1: GGA PW91 0 4 Ex 0.004092851 0.014751277 0.010658426 2 1: GGA PBE 0 1 Ex -0.228533484 -0.228305882 0.000227602 2 -6: 2 11.600 0.000000002 -0.005161710 -0.005161565 -0.000000145 -6: avgDiffVxc, maxDiffVxc = 0.000000027 0.000000145 1: GGA PBE 0 2 Ex -0.204809531 -0.205037139 0.000227608 2 1: GGA PBE 0 3 Ex -0.000268871 -0.000036708 0.000232163 2 1: GGA PBE 0 4 Ex -0.008325657 -0.008657448 0.000331791 2 -7: 1 8.200 0.000010638 -0.100010797 -0.100010654 -0.000000143 1: GGA revPBE 0 1 Ex -0.279293907 -0.278743711 0.000550196 2 1: GGA revPBE 0 2 Ex -0.249252826 -0.249803029 0.000550204 2 -3/9 Test #6: libgridxc_test_libxc ............. Passed 0.15 sec 1: GGA revPBE 0 3 Ex -0.000340465 0.000202770 0.000543235 2 1: GGA revPBE 0 4 Ex -0.010542583 -0.011344040 0.000801457 2 1: GGA LYP 0 1 Ex -0.185458678 -0.098780893 0.086677785 2 @@ -4501,7 +4579,6 @@ 1: GGA PBESOL 0 4 Ex -0.008441355 -0.009037343 0.000595988 2 1: GGA AM05 0 1 Ex -0.152767127 -0.095932929 0.056834197 2 1: GGA AM05 0 2 Ex -0.132152156 -0.188986354 0.056834197 2 -7: 1 8.400 0.000007022 -0.082462504 -0.082462335 -0.000000169 1: GGA AM05 0 3 Ex -0.000233636 0.011772024 0.012005660 2 1: GGA AM05 0 3 Ec 0.000058232 0.000056316 0.000001916 2 1: GGA AM05 0 4 Ex -0.007234595 -0.088596805 0.081362210 2 @@ -4531,7 +4608,6 @@ 1: GGA LYP 0 1 Ec -0.000399843 -0.001206934 0.000807091 2 1: GGA LYP 0 2 Ex 0.000000000 -0.004009514 0.004009514 2 1: GGA LYP 0 2 Ec -0.000399843 -0.001206934 0.000807091 2 -7: 1 8.600 0.000004589 -0.068350286 -0.068350135 -0.000000151 1: GGA AM05 0 1 Ex -0.023038960 0.811771855 0.834810816 2 1: GGA AM05 0 2 Ex -0.022981484 -0.857792300 0.834810816 2 1: GGA AM05 0 3 Ex 0.000794355 0.319393863 0.318599507 2 @@ -4544,7 +4620,6 @@ 1: GGA B88 0 2 Ex -0.030043534 -1.639630781 1.609587247 2 1: GGA B88 0 3 Ex 0.001147841 0.615551749 0.614403908 2 1: GGA B88 0 4 Ex 0.000535940 -1.190627776 1.191163716 2 -7: 1 8.800 0.000002969 -0.057583471 -0.057583442 -0.000000030 1: GGA BH 0 1 Ex -0.009998714 0.027050666 0.037049380 2 1: GGA BH 0 2 Ex -0.009991657 -0.047041108 0.037049451 2 1: GGA BH 0 3 Ex 0.000097533 0.014195138 0.014097606 2 @@ -4591,7 +4666,6 @@ 1: GGA PBEJsJrHEG 0 2 Ex -1.480418114 -1.163851721 0.316566393 2 1: GGA PBEJsJrHEG 0 3 Ex -0.002463379 0.000416443 0.002879821 2 1: GGA PBEJsJrHEG 0 4 Ex 0.006887867 0.166188330 0.159300463 2 -7: 1 9.000 0.000001902 -0.049506694 -0.049507028 0.000000334 1: GGA PBEGcGxLO 0 1 Ex -1.395490287 -1.785640210 0.390149924 2 1: GGA PBEGcGxLO 0 2 Ex -1.374497135 -0.984347210 0.390149926 2 1: GGA PBEGcGxLO 0 3 Ex 0.007508601 0.028954741 0.021446140 2 @@ -4621,6 +4695,43 @@ 1: GGA B88 0 3 Ex 0.014246255 0.057003524 0.042757270 2 1: GGA B88 0 4 Ex -0.039834029 0.263539553 0.303373582 2 1: GGA C09 0 1 Ex -1.290712272 -1.776998006 0.486285734 2 +7: 2 4.600 0.002254159 -0.381911080 -0.381911077 -0.000000003 +7: 2 4.800 0.001782061 -0.352568553 -0.352568554 0.000000002 +7: 2 5.000 0.001394815 -0.324805491 -0.324805492 0.000000001 +7: 2 5.200 0.001080853 -0.298841517 -0.298841517 -0.000000000 +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 -0.000000000 +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 -0.180551191 0.000000003 +7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 +7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000015 +7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 +7: 2 7.400 0.000033779 -0.163293898 -0.163293895 -0.000000004 +7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 +7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 +7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 +7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 +7: 2 8.400 0.000004681 -0.075347142 -0.075346959 -0.000000183 +7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000078 +7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 +7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 +7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 +7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 +7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002250 +7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 +7: 2 10.000 0.000000117 -0.029088011 -0.029090107 0.000002095 +7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 +7: 2 10.400 0.000000042 -0.024899792 -0.024901679 0.000001887 +7: 2 10.600 0.000000025 -0.023159554 -0.023161332 0.000001778 +7: 2 10.800 0.000000015 -0.021608555 -0.021610227 0.000001672 +7: 2 11.000 0.000000008 -0.020221667 -0.020223270 0.000001603 +7: 2 11.200 0.000000005 -0.018978407 -0.018979872 0.000001465 +7: 2 11.400 0.000000003 -0.017861495 -0.017862944 0.000001448 +7: 2 11.600 0.000000002 -0.016855994 -0.016857324 0.000001330 +7: avgDiffVxc, maxDiffVxc = 0.000000680 0.000002261 1: GGA C09 0 2 Ex -1.201674897 -0.715389161 0.486285736 2 1: GGA C09 0 3 Ex 0.031845913 0.090979633 0.059133720 2 1: GGA C09 0 4 Ex -0.089044531 0.175227448 0.264271979 2 @@ -4645,7 +4756,6 @@ 1: GGA RPBE 0 1 Ex -0.885339959 0.276106644 1.161446602 2 1: GGA RPBE 0 2 Ex -0.528846749 -1.690293355 1.161446606 2 1: GGA RPBE 0 3 Ex 0.052975235 9.650442400 9.597467165 2 -7: 1 9.200 0.000001206 -0.043402831 -0.043404135 0.000001304 1: GGA RPBE 0 4 Ex 0.059321087 -5.021572574 5.080893661 2 1: GGA revPBE 0 1 Ex -0.737826416 1.257261074 1.995087490 2 1: GGA revPBE 0 2 Ex -0.507984056 -2.503071551 1.995087495 2 @@ -4687,7 +4797,6 @@ 1: GGA AM05 0 1 Ec -0.053664064 -0.062379197 0.008715133 2 1: GGA AM05 0 2 Ex -0.459260243 -2.431508548 1.972248305 2 1: GGA AM05 0 2 Ec -0.056084232 -0.047369099 0.008715133 2 -7: 1 9.400 0.000000757 -0.038686660 -0.038688834 0.000002175 1: GGA AM05 0 3 Ex -0.000774662 13.006759704 13.007534366 2 1: GGA AM05 0 3 Ec -0.000359639 -0.070913214 0.070553575 2 1: GGA AM05 0 4 Ex -0.000867458 -5.690760215 5.689892757 2 @@ -4744,7 +4853,6 @@ 1: GGA WC 0 4 Ex -0.032837400 -0.118385782 0.085548382 2 1: GGA PBEJsJrLO 0 1 Ex -1.344090312 -1.396101232 0.052010919 2 1: GGA PBEJsJrLO 0 2 Ex -1.258591780 -1.206580860 0.052010920 2 -7: 1 9.600 0.000000470 -0.034934582 -0.034936830 0.000002248 1: GGA PBEJsJrLO 0 3 Ex 0.041346188 -0.081295846 0.122642034 2 1: GGA PBEJsJrLO 0 4 Ex -0.030011058 -0.124887812 0.094876755 2 1: GGA PBEJsJrHEG 0 1 Ex -1.337859738 -1.370989720 0.033129982 2 @@ -4800,7 +4908,6 @@ 1: GGA PBE 0 1 Ex -0.366718905 -0.367611549 0.000892645 2 1: GGA PBE 0 2 Ex -0.336289036 -0.335396385 0.000892651 2 1: GGA PBE 0 3 Ex 0.051502808 0.044621789 0.006881018 2 -7: 1 9.800 0.000000289 -0.031858263 -0.031860487 0.000002224 1: GGA PBE 0 4 Ex 0.021551326 0.037365235 0.015813909 2 1: GGA RPBE 0 1 Ex -0.398068185 -0.398070767 0.000002582 2 1: GGA RPBE 0 2 Ex -0.355195924 -0.355193335 0.000002589 2 @@ -4853,7 +4960,6 @@ 1: GGA PW86 0 1 Ex -0.351966084 -0.348600767 0.003365317 2 1: GGA PW86 0 2 Ex -0.353773124 -0.357138438 0.003365314 2 1: GGA PW86 0 3 Ex -0.003058431 -0.027497868 0.024439438 2 -7: 1 10.000 0.000000176 -0.029267821 -0.029269965 0.000002144 1: GGA PW86 0 4 Ex -0.001279799 0.059500839 0.060780638 2 1: GGA B88 0 1 Ex -0.284603582 -0.261880259 0.022723323 2 1: GGA B88 0 2 Ex -0.295943875 -0.318667204 0.022723329 2 @@ -4909,7 +5015,6 @@ 1: GGA PBEJsJrHEG 0 2 Ex -1.185098097 -1.101893290 0.083204807 2 1: GGA PBEJsJrHEG 0 3 Ex -0.013357375 -0.067921323 0.054563949 2 1: GGA PBEJsJrHEG 0 4 Ex -0.053293691 0.051325263 0.104618955 2 -7: 1 10.200 0.000000106 -0.027039672 -0.027041720 0.000002048 1: GGA PBEGcGxLO 0 1 Ex -1.304935024 -1.384291943 0.079356919 2 1: GGA PBEGcGxLO 0 2 Ex -1.185211952 -1.105855043 0.079356909 2 1: GGA PBEGcGxLO 0 3 Ex -0.013726861 -0.065732060 0.052005199 2 @@ -4974,7 +5079,6 @@ 1: GGA LYP 0 2 Ec -0.088346506 -0.063543023 0.024803483 2 1: GGA LYP 0 3 Ex -0.022268858 -0.333018512 0.310749653 2 1: GGA LYP 0 3 Ec 0.007957043 0.088261844 0.080304802 2 -7: 1 10.400 0.000000063 -0.025092806 -0.025094749 0.000001943 1: GGA LYP 0 4 Ex 0.074357428 -0.115275916 0.189633344 2 1: GGA LYP 0 4 Ec -0.026569177 -0.008312428 0.018256748 2 1: GGA WC 0 1 Ex -0.761155658 -1.058627299 0.297471641 2 @@ -5035,7 +5139,6 @@ 1: GGA PW91 0 2 Ex -0.449937796 -0.513799694 0.063861898 2 1: GGA PW91 0 3 Ex 0.310065530 0.310371118 0.000305588 2 1: GGA PW91 0 4 Ex 0.031076196 -0.019476547 0.050552743 2 -7: 1 10.600 0.000000037 -0.023372816 -0.023374647 0.000001831 1: GGA PBE 0 1 Ex -0.720046901 -0.657737937 0.062308964 2 1: GGA PBE 0 2 Ex -0.723317623 -0.785626587 0.062308964 2 1: GGA PBE 0 3 Ex 0.021935815 0.022326020 0.000390205 2 @@ -5104,7 +5207,6 @@ 1: GGA BH 0 2 Ex -0.721882842 -0.786591373 0.064708531 2 1: GGA BH 0 3 Ex -0.091511306 -0.090504576 0.001006730 2 1: GGA BH 0 4 Ex -0.009171685 -0.067349891 0.058178207 2 -7: 1 10.800 0.000000022 -0.021841709 -0.021843441 0.000001733 1: 1: iSpin dens gradDens 1: 1 0.286281650 -0.072187357 -0.718784944 2.589793422 @@ -5168,7 +5270,6 @@ 1: GGA AM05 0 4 Ex 0.005778471 2.204136473 2.198358002 2 1: GGA AM05 0 4 Ec -0.000742119 -0.008610031 0.007867912 2 1: GGA PW86 0 1 Ex -0.960317271 -2.927100843 1.966783572 2 -7: 1 11.000 0.000000013 -0.020471625 -0.020473272 0.000001647 1: GGA PW86 0 2 Ex -0.945733471 1.021050110 1.966783581 2 1: GGA PW86 0 3 Ex 0.003845894 -1.327218608 1.331064502 2 1: GGA PW86 0 4 Ex -0.004854981 1.894731505 1.899586486 2 @@ -5229,7 +5330,6 @@ 1: GGA PBEGcGxLO 0 1 Ex -0.743478852 -0.676046838 0.067432014 2 1: GGA PBEGcGxLO 0 2 Ex -0.457783415 -0.525215420 0.067432005 2 1: GGA PBEGcGxLO 0 3 Ex -0.176559560 -0.231219610 0.054660049 2 -7: 1 11.200 0.000000007 -0.019241059 -0.019242611 0.000001551 1: GGA PBEGcGxLO 0 4 Ex -0.009872786 -0.008025002 0.001847783 2 1: GGA PBEGcGxHEG 0 1 Ex -0.745807745 -0.686383326 0.059424419 2 1: GGA PBEGcGxHEG 0 2 Ex -0.418096195 -0.477520605 0.059424410 2 @@ -5279,7 +5379,6 @@ 1: GGA PBE 0 4 Ex 0.003159713 -0.144850414 0.148010127 2 1: GGA RPBE 0 1 Ex -1.010149243 -1.080492028 0.070342785 2 1: GGA RPBE 0 2 Ex -0.948070596 -0.877727812 0.070342784 2 -7: 1 11.400 0.000000004 -0.018132612 -0.018133954 0.000001342 1: GGA RPBE 0 3 Ex 0.065559446 0.051253188 0.014306259 2 1: GGA RPBE 0 4 Ex 0.006254600 -0.192876787 0.199131387 2 1: GGA revPBE 0 1 Ex -0.891008443 -1.027454212 0.136445769 2 @@ -5350,7 +5449,6 @@ 1: 4 0.181246445 0.997097041 -0.203648005 0.244254264 1: GGA PW91 0 1 Ex -1.140850937 -1.119123626 0.021727311 2 1: GGA PW91 0 2 Ex -1.521246537 -1.542973846 0.021727309 2 -7: 1 11.600 0.000000002 -0.017131679 -0.017133099 0.000001420 1: GGA PW91 0 3 Ex 0.112009517 0.116128374 0.004118858 2 1: GGA PW91 0 4 Ex 0.149678351 0.118986954 0.030691397 2 1: GGA PBE 0 1 Ex -1.053398703 -1.077719598 0.024320894 2 @@ -5410,7 +5508,6 @@ 1: GGA PW86 0 3 Ex -0.023126269 -0.052665465 0.029539197 2 1: GGA PW86 0 4 Ex -0.030903640 0.052953644 0.083857284 2 1: GGA B88 0 1 Ex -1.010290260 -1.088030219 0.077739959 2 -7: 1 11.800 0.000000001 -0.016225680 -0.016226796 0.000001116 1: GGA B88 0 2 Ex -0.758587365 -0.680847405 0.077739960 2 1: GGA B88 0 3 Ex -0.074115263 -0.115286750 0.041171487 2 1: GGA B88 0 4 Ex -0.099040248 0.030554764 0.129595012 2 @@ -5452,6 +5549,7 @@ 1: GGA LYP 0 3 Ec -0.061923873 -0.003392451 0.058531422 2 1: GGA LYP 0 4 Ex -0.129321014 -0.420088800 0.290767785 2 1: GGA LYP 0 4 Ec 0.053536269 0.113329599 0.059793330 2 +4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.14 sec 1: GGA WC 0 1 Ex -1.041307650 -1.083439177 0.042131527 2 1: GGA WC 0 2 Ex -1.091086860 -1.048955332 0.042131528 2 1: GGA WC 0 3 Ex 0.042360987 -0.018888633 0.061249620 2 @@ -5475,9 +5573,6 @@ 1: GGA PBESOL 0 1 Ex -0.981394895 -1.006201464 0.024806569 2 1: GGA PBESOL 0 2 Ex -1.067081475 -1.042274907 0.024806569 2 1: GGA PBESOL 0 3 Ex 0.072917352 0.007303871 0.065613481 2 -7: iSpin r dens Vxc dExc/dDens diff -7: 2 0.000 0.031746818 -0.900701729 -7: 2 0.200 0.031588480 -0.903820205 -0.903820034 -0.000000171 1: GGA PBESOL 0 4 Ex -0.063040679 -0.155792786 0.092752107 2 1: GGA AM05 0 1 Ex -0.760583717 -0.763246094 0.002662378 2 1: GGA AM05 0 1 Ec -0.091812485 -0.085098834 0.006713651 2 @@ -5546,7 +5641,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex 0.015450186 -0.106291607 0.121741793 2 1: GGA PBEJsJrHEG 0 4 Ex -0.039149036 -0.164221603 0.125072567 2 1: GGA PBEGcGxLO 0 1 Ex -1.380485170 -1.413705003 0.033219834 2 -7: 2 0.400 0.031118189 -0.913175632 -0.913175738 0.000000106 1: GGA PBEGcGxLO 0 2 Ex -1.662854641 -1.629634811 0.033219831 2 1: GGA PBEGcGxLO 0 3 Ex 0.022478749 -0.120863886 0.143342635 2 1: GGA PBEGcGxLO 0 4 Ex -0.056958623 -0.195871682 0.138913060 2 @@ -5622,7 +5716,6 @@ 1: GGA PBEJsJrLO 0 4 Ex 0.349254133 0.399211689 0.049957557 2 1: GGA PBEJsJrHEG 0 1 Ex -0.588175428 -0.609788981 0.021613553 2 1: GGA PBEJsJrHEG 0 2 Ex -1.758649642 -1.737036089 0.021613553 2 -7: 2 0.600 0.030349878 -0.898888840 -0.898888780 -0.000000059 1: GGA PBEJsJrHEG 0 3 Ex 0.235606306 0.214221345 0.021384961 2 1: GGA PBEJsJrHEG 0 4 Ex 0.368333417 0.416353722 0.048020306 2 1: GGA PBEGcGxLO 0 1 Ex -0.653584522 -0.672227238 0.018642715 2 @@ -5685,7 +5778,6 @@ 1: GGA revPBE 0 4 Ex -0.024058694 -0.032751425 0.008692731 2 1: GGA LYP 0 1 Ex -0.201930091 -0.008106654 0.193823437 2 1: GGA LYP 0 1 Ec 0.031415619 0.176342440 0.144926821 2 -7: 2 0.800 0.029306007 -0.900387339 -0.900387336 -0.000000003 1: GGA LYP 0 2 Ex -0.223718148 -0.417541585 0.193823437 2 1: GGA LYP 0 2 Ec 0.116437960 -0.028488861 0.144926821 2 1: GGA LYP 0 3 Ex -0.017796908 0.130844841 0.148641749 2 @@ -5750,7 +5842,6 @@ 1: GGA PW91 0 2 Ex -0.526425191 -0.638213862 0.111788671 2 1: GGA PW91 0 3 Ex -0.004899057 0.036621140 0.041520198 2 1: GGA PW91 0 4 Ex -0.012978556 -0.108900289 0.095921733 2 -7: 2 1.000 0.028016469 -0.881655824 -0.881655835 0.000000011 1: GGA PBE 0 1 Ex -0.487022156 -0.473796473 0.013225683 2 1: GGA PBE 0 2 Ex -0.451554230 -0.464779899 0.013225668 2 1: GGA PBE 0 3 Ex -0.009325036 0.146281732 0.155606768 2 @@ -5828,7 +5919,6 @@ 1: GGA PW91 0 1 Ex -1.630441679 -1.567890698 0.062550981 2 1: GGA PW91 0 2 Ex -1.731667621 -1.794218595 0.062550974 2 1: GGA PW91 0 3 Ex -0.055744691 -0.032419899 0.023324792 2 -7: 2 1.200 0.026517171 -0.869787130 -0.869787138 0.000000008 1: GGA PW91 0 4 Ex -0.319025454 -0.313177472 0.005847982 2 1: GGA PBE 0 1 Ex -1.320404874 -1.209496420 0.110908454 2 1: GGA PBE 0 2 Ex -1.315376626 -1.426285074 0.110908448 2 @@ -5882,7 +5972,6 @@ 1: GGA AM05 0 3 Ec -0.006331244 -0.006186915 0.000144329 2 1: GGA AM05 0 4 Ex 0.314205395 0.333537540 0.019332145 2 1: GGA AM05 0 4 Ec -0.036233550 -0.036480291 0.000246742 2 -7: 2 1.400 0.024848378 -0.849409711 -0.849409715 0.000000004 1: GGA PW86 0 1 Ex -1.260844232 -1.128629197 0.132215035 2 1: GGA PW86 0 2 Ex -1.220652182 -1.352867212 0.132215030 2 1: GGA PW86 0 3 Ex 0.022133589 -0.007377547 0.029511136 2 @@ -5949,7 +6038,6 @@ 1: GGA PBEGcGxHEG 0 2 Ex -0.585174065 -0.506794408 0.078379657 2 1: GGA PBEGcGxHEG 0 3 Ex 0.016862123 -0.100669077 0.117531200 2 1: GGA PBEGcGxHEG 0 4 Ex -0.017614728 0.054860530 0.072475258 2 -7: 2 1.600 0.023052921 -0.829194760 -0.829194765 0.000000006 1: GGA PBESOL 0 1 Ex -0.689628726 -0.780825996 0.091197270 2 1: GGA PBESOL 0 2 Ex -0.570825594 -0.479628317 0.091197276 2 1: GGA PBESOL 0 3 Ex 0.024093598 -0.139276883 0.163370481 2 @@ -6002,7 +6090,6 @@ 1: GGA revPBE 0 4 Ex -0.091984399 -0.112020605 0.020036206 2 1: GGA LYP 0 1 Ex -1.221420392 -1.324782352 0.103361960 2 1: GGA LYP 0 1 Ec -0.195495246 -0.196061477 0.000566230 2 -7: 2 1.800 0.021174391 -0.806916840 -0.806916837 -0.000000003 1: GGA LYP 0 2 Ex -1.281764130 -1.178402170 0.103361960 2 1: GGA LYP 0 2 Ec -0.153248686 -0.152682456 0.000566230 2 1: GGA LYP 0 3 Ex 0.113726390 0.147672076 0.033945686 2 @@ -6078,7 +6165,6 @@ 1: GGA revPBE 0 1 Ex -0.400160668 -0.533257703 0.133097035 2 1: GGA revPBE 0 2 Ex -0.306529107 -0.173432081 0.133097026 2 1: GGA revPBE 0 3 Ex 0.030487858 0.175510883 0.145023025 2 -7: 2 2.000 0.019255418 -0.783153757 -0.783153759 0.000000001 1: GGA revPBE 0 4 Ex -0.099259765 0.008059471 0.107319236 2 1: GGA LYP 0 1 Ex -0.319484205 -0.505223809 0.185739604 2 1: GGA LYP 0 1 Ec -1.272232680 -1.090496453 0.181736226 2 @@ -6154,7 +6240,6 @@ 1: GGA PBE 0 2 Ex -1.202605243 -0.921034505 0.281570737 2 1: GGA PBE 0 3 Ex -0.011003386 -0.646993551 0.635990165 2 1: GGA PBE 0 4 Ex -0.022625262 0.438268390 0.460893652 2 -7: 2 2.200 0.017336125 -0.757597743 -0.757597747 0.000000005 1: GGA RPBE 0 1 Ex -1.140546303 -1.497151326 0.356605023 2 1: GGA RPBE 0 2 Ex -1.095316958 -0.738711942 0.356605015 2 1: GGA RPBE 0 3 Ex -0.020428493 -0.871126350 0.850697857 2 @@ -6212,7 +6297,6 @@ 1: GGA B88 0 3 Ex -0.026367504 -0.722493309 0.696125805 2 1: GGA B88 0 4 Ex -0.054217099 0.438394177 0.492611276 2 1: GGA C09 0 1 Ex -1.192274418 -1.381403164 0.189128746 2 -7: 2 2.400 0.015452834 -0.730277351 -0.730277355 0.000000003 1: GGA C09 0 2 Ex -1.100533089 -0.911404350 0.189128739 2 1: GGA C09 0 3 Ex -0.041436308 -0.556466730 0.515030423 2 1: GGA C09 0 4 Ex -0.085201708 0.267096686 0.352298394 2 @@ -6286,7 +6370,6 @@ 1: GGA PW86 0 4 Ex -0.004442607 -0.128881168 0.124438561 2 1: GGA B88 0 1 Ex -0.276758606 -0.571979082 0.295220475 2 1: GGA B88 0 2 Ex -0.253197559 0.042022967 0.295220526 2 -7: 2 2.600 0.013637077 -0.701421448 -0.701421450 0.000000002 1: GGA B88 0 3 Ex 0.016531087 -0.339012350 0.355543437 2 1: GGA B88 0 4 Ex -0.007487505 -0.327977131 0.320489626 2 1: GGA C09 0 1 Ex -0.419483994 -0.423787673 0.004303680 2 @@ -6351,7 +6434,6 @@ 1: GGA PBESOL 0 2 Ex -1.084928458 -1.144954748 0.060026290 2 1: GGA PBESOL 0 3 Ex -0.046320985 -0.173920351 0.127599366 2 1: GGA PBESOL 0 4 Ex -0.008197213 0.423520208 0.431717421 2 -7: 2 2.800 0.011914930 -0.671294327 -0.671294326 -0.000000000 1: GGA AM05 0 1 Ex -1.160770277 -1.099293617 0.061476660 2 1: GGA AM05 0 1 Ec -0.078195728 -0.078431292 0.000235564 2 1: GGA AM05 0 2 Ex -0.974883379 -1.036360038 0.061476659 2 @@ -6415,7 +6497,6 @@ 1: GGA PBEJsJrLO 0 3 Ex 0.000305692 0.063532665 0.063226973 2 1: GGA PBEJsJrLO 0 4 Ex -0.005620739 -0.012132028 0.006511289 2 1: GGA PBEJsJrHEG 0 1 Ex -0.415054915 -0.423420560 0.008365644 2 -7: 2 3.000 0.010306678 -0.640127830 -0.640127830 -0.000000000 1: GGA PBEJsJrHEG 0 2 Ex -0.482418148 -0.474052482 0.008365665 2 1: GGA PBEJsJrHEG 0 3 Ex 0.002237355 0.045594097 0.043356742 2 1: GGA PBEJsJrHEG 0 4 Ex -0.041138082 -0.045629416 0.004491335 2 @@ -6489,7 +6570,6 @@ 1: GGA WC 0 2 Ex -1.283429538 -2.489420694 1.205991156 2 1: GGA WC 0 3 Ex 0.037554430 0.172162884 0.134608454 2 1: GGA WC 0 4 Ex -0.007556228 1.833655108 1.841211336 2 -7: 2 3.200 0.008826792 -0.608140908 -0.608140905 -0.000000003 1: GGA PBEJsJrLO 0 1 Ex -1.286132618 -0.318513367 0.967619251 2 1: GGA PBEJsJrLO 0 2 Ex -1.306730125 -2.274349386 0.967619261 2 1: GGA PBEJsJrLO 0 3 Ex 0.052659932 0.156969757 0.104309825 2 @@ -6551,7 +6631,6 @@ 1: GGA RPBE 0 1 Ex -0.527138315 -0.464862696 0.062275620 2 1: GGA RPBE 0 2 Ex -0.426166954 -0.488442564 0.062275610 2 1: GGA RPBE 0 3 Ex -0.049760400 -0.037039600 0.012720800 2 -7: 2 3.400 0.007484177 -0.575559240 -0.575559243 0.000000003 1: GGA RPBE 0 4 Ex -0.033290876 -0.146745948 0.113455071 2 1: GGA revPBE 0 1 Ex -0.551736460 -0.492866131 0.058870329 2 1: GGA revPBE 0 2 Ex -0.507670438 -0.566540757 0.058870319 2 @@ -6620,7 +6699,6 @@ 1: 3 -0.001008224 0.010295642 0.016023992 -0.013439095 1: 4 0.001818805 -0.001009244 0.008687477 -0.036314443 1: GGA PW91 0 1 Ex -0.112481908 -0.076254549 0.036227359 2 -7: 2 3.600 0.006282640 -0.542620903 -0.542620903 0.000000000 1: GGA PW91 0 2 Ex -0.465839528 -0.502066902 0.036227374 2 1: GGA PW91 0 3 Ex 0.099299853 0.183675898 0.084376045 2 1: GGA PW91 0 4 Ex -0.179133860 -0.096630541 0.082503319 2 @@ -6672,7 +6750,6 @@ 1: GGA AM05 0 1 Ec -0.051967425 -0.051941356 0.000026068 2 1: GGA AM05 0 2 Ex -0.208672234 -0.186109804 0.022562430 2 1: GGA AM05 0 2 Ec -0.028803896 -0.028829964 0.000026068 2 -7: 2 3.800 0.005221523 -0.509578436 -0.509578435 -0.000000001 1: GGA AM05 0 3 Ex -0.005307579 -0.047834757 0.042527178 2 1: GGA AM05 0 3 Ec -0.006509369 -0.006448556 0.000060812 2 1: GGA AM05 0 4 Ex 0.009574709 -0.036252729 0.045827438 2 @@ -6753,7 +6830,6 @@ 1: GGA AM05 0 2 Ec -0.077843082 -0.086288202 0.008445120 2 1: GGA AM05 0 3 Ex -0.083599984 -0.337403451 0.253803467 2 1: GGA AM05 0 3 Ec 0.000825344 0.004451759 0.003626415 2 -7: 2 4.000 0.004296443 -0.476699712 -0.476699713 0.000000001 1: GGA AM05 0 4 Ex 0.013645256 -0.644394178 0.658039434 2 1: GGA AM05 0 4 Ec -0.000134713 -0.001748072 0.001613358 2 1: GGA PW86 0 1 Ex -1.036754124 -1.584001919 0.547247795 2 @@ -6800,6 +6876,7 @@ 1: GGA LYP 0 2 Ec -1.966929740 -1.825014729 0.141915010 2 1: GGA LYP 0 3 Ex 1.206790247 1.207170773 0.000380526 2 1: GGA LYP 0 3 Ec 0.585324905 0.678786285 0.093461380 2 +5/9 Test #5: libgridxc_test6 .................. Passed 0.19 sec 1: GGA LYP 0 4 Ex -0.106373198 -0.195132938 0.088759740 2 1: GGA LYP 0 4 Ec -0.051593790 -0.198445131 0.146851341 2 1: GGA WC 0 1 Ex -0.654899042 -0.693896865 0.038997824 2 @@ -6819,7 +6896,6 @@ 1: GGA PBEGcGxLO 0 3 Ex -0.211355318 -0.196665808 0.014689510 2 1: GGA PBEGcGxLO 0 4 Ex 0.018630032 -0.041326410 0.059956442 2 1: GGA PBEGcGxHEG 0 1 Ex -0.653478673 -0.679369897 0.025891225 2 -7: 2 4.200 0.003500077 -0.444266875 -0.444266877 0.000000001 1: GGA PBEGcGxHEG 0 2 Ex -0.316316750 -0.290425534 0.025891215 2 1: GGA PBEGcGxHEG 0 3 Ex -0.224839225 -0.210562700 0.014276526 2 1: GGA PBEGcGxHEG 0 4 Ex 0.019818579 -0.038452232 0.058270811 2 @@ -6888,7 +6964,6 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.698444287 -0.709808851 0.011364564 2 1: GGA PBEJsJrLO 0 2 Ex -0.791081069 -0.779716503 0.011364567 2 1: GGA PBEJsJrLO 0 3 Ex -0.026772622 -0.072109812 0.045337190 2 -7: 2 4.400 0.002822947 -0.412572354 -0.412572352 -0.000000002 1: GGA PBEJsJrLO 0 4 Ex -0.007560837 0.083356040 0.090916877 2 1: GGA PBEJsJrHEG 0 1 Ex -0.700767273 -0.713748145 0.012980872 2 1: GGA PBEJsJrHEG 0 2 Ex -0.711699385 -0.698718510 0.012980875 2 @@ -6956,7 +7031,6 @@ 1: GGA LYP 0 3 Ec 0.318183011 0.278575290 0.039607721 2 1: GGA LYP 0 4 Ex -0.004438699 -1.112865273 1.108426574 2 1: GGA LYP 0 4 Ec -0.068371688 0.076307061 0.144678749 2 -7: 2 4.600 0.002254159 -0.381911080 -0.381911077 -0.000000003 1: GGA WC 0 1 Ex -0.153274973 -0.163264622 0.009989649 2 1: GGA WC 0 2 Ex -0.157495186 -0.147505543 0.009989643 2 1: GGA WC 0 3 Ex 0.006074947 0.007711139 0.001636192 2 @@ -6978,7 +7052,6 @@ 1: GGA PBEGcGxHEG 0 3 Ex 0.004977128 0.006114310 0.001137182 2 1: GGA PBEGcGxHEG 0 4 Ex -0.001069493 -0.006700136 0.005630643 2 1: GGA PBESOL 0 1 Ex -0.152012240 -0.166044143 0.014031903 2 -4/9 Test #5: libgridxc_test6 .................. Passed 0.27 sec 1: GGA PBESOL 0 2 Ex -0.156722297 -0.142690399 0.014031897 2 1: GGA PBESOL 0 3 Ex 0.006780073 0.009137000 0.002356927 2 1: GGA PBESOL 0 4 Ex -0.001456913 -0.013170665 0.011713751 2 @@ -7022,7 +7095,6 @@ 1: GGA PBE 0 4 Ex 0.110964658 0.351362064 0.240397406 2 1: GGA RPBE 0 1 Ex -0.926117117 -1.426362803 0.500245686 2 1: GGA RPBE 0 2 Ex -1.087271246 -0.587025565 0.500245681 2 -7: 2 4.800 0.001782061 -0.352568553 -0.352568554 0.000000002 1: GGA RPBE 0 3 Ex 0.088241336 0.173735655 0.085494319 2 1: GGA RPBE 0 4 Ex 0.116735364 0.397406067 0.280670703 2 1: GGA revPBE 0 1 Ex -0.879428582 -1.406047887 0.526619305 2 @@ -7093,7 +7165,6 @@ 1: 4 -0.070696107 -2.802495840 -1.782432508 6.488356113 1: GGA PW91 0 1 Ex -1.458770750 -1.203963963 0.254806787 2 1: GGA PW91 0 2 Ex -1.235484546 -1.490291341 0.254806795 2 -7: 2 5.000 0.001394815 -0.324805491 -0.324805492 0.000000001 1: GGA PW91 0 3 Ex 0.210181753 0.571570907 0.361389154 2 1: GGA PW91 0 4 Ex -0.121743519 0.268503005 0.390246524 2 1: GGA PBE 0 1 Ex -1.274768032 -1.027179635 0.247588397 2 @@ -7157,7 +7228,6 @@ 1: GGA B88 0 3 Ex -0.060803475 0.413334339 0.474137814 2 1: GGA B88 0 4 Ex 0.035219180 0.664520371 0.629301191 2 1: GGA C09 0 1 Ex -0.971081783 -0.879751583 0.091330199 2 -7: 2 5.200 0.001080853 -0.298841517 -0.298841517 -0.000000000 1: GGA C09 0 2 Ex -1.049186995 -1.140517202 0.091330207 2 1: GGA C09 0 3 Ex -0.073521293 0.208871447 0.282392740 2 1: GGA C09 0 4 Ex 0.042585718 0.446364208 0.403778490 2 @@ -7210,7 +7280,6 @@ 1: GGA PBEGcGxHEG 0 1 Ex -0.168411057 -0.165916796 0.002494260 2 1: GGA PBEGcGxHEG 0 2 Ex -0.220084467 -0.222578715 0.002494247 2 1: GGA PBEGcGxHEG 0 3 Ex -0.001155738 0.012840469 0.013996207 2 -7: 2 5.400 0.000829225 -0.274842954 -0.274842954 -0.000000000 1: GGA PBEGcGxHEG 0 4 Ex -0.005965636 0.002125249 0.008090885 2 1: GGA PBESOL 0 1 Ex -0.192532226 -0.187524210 0.005008016 2 1: GGA PBESOL 0 2 Ex -0.242098123 -0.247106124 0.005008001 2 @@ -7280,7 +7349,6 @@ 1: GGA PBEJsJrLO 0 4 Ex 0.008630981 0.453969415 0.445338434 2 1: GGA PBEJsJrHEG 0 1 Ex -0.734341450 -0.422074663 0.312266787 2 1: GGA PBEJsJrHEG 0 2 Ex -0.696320179 -1.008586975 0.312266797 2 -7: 2 5.600 0.000629844 -0.252923338 -0.252923338 -0.000000000 1: GGA PBEJsJrHEG 0 3 Ex 0.031714236 0.174745381 0.143031145 2 1: GGA PBEJsJrHEG 0 4 Ex 0.004753485 0.299330519 0.294577035 2 1: GGA PBEGcGxLO 0 1 Ex -0.708513902 -0.221799645 0.486714257 2 @@ -7347,7 +7415,6 @@ 1: GGA LYP 0 2 Ec -0.430644920 -0.462761684 0.032116763 2 1: GGA LYP 0 3 Ex -0.020736406 -0.175305220 0.154568814 2 1: GGA LYP 0 3 Ec 0.143191233 0.216611200 0.073419966 2 -7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000000 1: GGA LYP 0 4 Ex -0.034880540 0.063107974 0.097988513 2 1: GGA LYP 0 4 Ec 0.240860812 0.206909473 0.033951339 2 1: GGA WC 0 1 Ex -0.977459250 -0.955427488 0.022031763 2 @@ -7418,7 +7485,6 @@ 1: GGA RPBE 0 4 Ex 0.049581041 0.156603522 0.107022481 2 1: GGA revPBE 0 1 Ex -0.915045050 -0.759720459 0.155324590 2 1: GGA revPBE 0 2 Ex -0.886847484 -1.042172066 0.155324582 2 -7: 2 6.000 0.000352629 -0.215702309 -0.215702310 0.000000001 1: GGA revPBE 0 3 Ex -0.056191408 0.121725912 0.177917320 2 1: GGA revPBE 0 4 Ex 0.110059185 0.220793344 0.110734159 2 1: GGA LYP 0 1 Ex -0.680225983 -0.440100747 0.240125235 2 @@ -7489,7 +7555,6 @@ 1: GGA PW91 0 2 Ec -0.133753156 -0.133757365 0.000004209 2 1: GGA PW91 0 3 Ex 0.505927932 0.482621691 0.023306241 2 1: GGA PW91 0 3 Ec -0.057365006 -0.057368580 0.000003574 2 -7: 2 6.200 0.000259921 -0.200780146 -0.200780147 0.000000001 1: GGA PW91 0 4 Ex -0.396317952 -0.426876631 0.030558679 2 1: GGA PW91 0 4 Ec 0.044936799 0.044939598 0.000002799 2 1: GGA PBE 0 1 Ex -1.561382500 -1.482035079 0.079347420 2 @@ -7544,7 +7609,6 @@ 1: GGA AM05 0 3 Ec -0.067940905 -0.067427827 0.000513078 2 1: GGA AM05 0 4 Ex -0.351281757 -0.294186990 0.057094767 2 1: GGA AM05 0 4 Ec 0.053221415 0.053926994 0.000705579 2 -7: 2 6.400 0.000189678 -0.188871729 -0.188871731 0.000000002 1: GGA PW86 0 1 Ex -1.541164740 -1.414077264 0.127087476 2 1: GGA PW86 0 2 Ex -1.535813682 -1.662901172 0.127087490 2 1: GGA PW86 0 3 Ex 0.272282346 0.281786476 0.009504130 2 @@ -7609,7 +7673,6 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.051537297 0.046900885 0.004636412 2 1: GGA PBEGcGxHEG 0 1 Ex -0.543739564 -0.537782235 0.005957329 2 1: GGA PBEGcGxHEG 0 2 Ex -0.543757506 -0.549714843 0.005957337 2 -7: 2 6.600 0.000137039 -0.180551188 -0.180551191 0.000000003 1: GGA PBEGcGxHEG 0 3 Ex 0.000015652 0.055895370 0.055879719 2 1: GGA PBEGcGxHEG 0 4 Ex 0.000279735 -0.003037886 0.003317621 2 1: GGA PBESOL 0 1 Ex -0.561313320 -0.553585817 0.007727503 2 @@ -7677,7 +7740,6 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.875592284 -0.924048689 0.048456404 2 1: GGA PBEJsJrLO 0 2 Ex -0.784621491 -0.736165091 0.048456400 2 1: GGA PBEJsJrLO 0 3 Ex -0.017951103 0.109575589 0.127526692 2 -7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 1: GGA PBEJsJrLO 0 4 Ex 0.021745877 0.025663216 0.003917338 2 1: GGA PBEJsJrHEG 0 1 Ex -0.842775352 -0.874361002 0.031585650 2 1: GGA PBEJsJrHEG 0 2 Ex -0.828313140 -0.796727493 0.031585647 2 @@ -7745,7 +7807,6 @@ 1: GGA LYP 0 1 Ec -0.078245539 -0.031046095 0.047199443 2 1: GGA LYP 0 2 Ex -0.719727096 -0.842269400 0.122542304 2 1: GGA LYP 0 2 Ec -0.122366862 -0.169566306 0.047199443 2 -7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000015 1: GGA LYP 0 3 Ex 0.136742788 0.181412473 0.044669686 2 1: GGA LYP 0 3 Ec -0.057694964 -0.039067770 0.018627194 2 1: GGA LYP 0 4 Ex 0.003263603 0.094875337 0.091611734 2 @@ -7809,7 +7870,6 @@ 1: GGA PW91 0 3 Ex -0.001682343 0.092948018 0.094630361 2 1: GGA PW91 0 4 Ex 0.063426060 0.054236223 0.009189837 2 1: GGA PBE 0 1 Ex -1.271512500 -1.334738677 0.063226177 2 -7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 1: GGA PBE 0 2 Ex -1.261783112 -1.198556947 0.063226165 2 1: GGA PBE 0 3 Ex -0.000715096 0.093445190 0.094160286 2 1: GGA PBE 0 4 Ex 0.026959871 0.018048778 0.008911092 2 @@ -7864,7 +7924,6 @@ 1: GGA PW86 0 1 Ex -1.246623097 -1.304164182 0.057541084 2 1: GGA PW86 0 2 Ex -1.268154072 -1.210612999 0.057541072 2 1: GGA PW86 0 3 Ex 0.001582496 0.094570397 0.092987901 2 -7: 2 7.400 0.000033779 -0.163293898 -0.163293895 -0.000000004 1: GGA PW86 0 4 Ex -0.059661743 -0.067578102 0.007916359 2 1: GGA B88 0 1 Ex -1.031509566 -1.102056428 0.070546862 2 1: GGA B88 0 2 Ex -1.075875340 -1.005328489 0.070546851 2 @@ -7927,7 +7986,6 @@ 1: GGA PBEGcGxHEG 0 1 Ex -0.805229369 -0.806341790 0.001112421 2 1: GGA PBEGcGxHEG 0 2 Ex -0.801657253 -0.800544828 0.001112426 2 1: GGA PBEGcGxHEG 0 3 Ex -0.007186975 -0.006985746 0.000201229 2 -7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 1: GGA PBEGcGxHEG 0 4 Ex -0.013894512 -0.013855605 0.000038907 2 1: GGA PBESOL 0 1 Ex -0.799557710 -0.797796304 0.001761406 2 1: GGA PBESOL 0 2 Ex -0.787661753 -0.789423155 0.001761401 2 @@ -7993,7 +8051,6 @@ 1: GGA WC 0 4 Ex 0.063326058 -0.103449279 0.166775337 2 1: GGA PBEJsJrLO 0 1 Ex -0.508797994 -0.383808488 0.124989506 2 1: GGA PBEJsJrLO 0 2 Ex -0.486798282 -0.611787775 0.124989493 2 -7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 1: GGA PBEJsJrLO 0 3 Ex -0.042387143 -0.274780407 0.232393264 2 1: GGA PBEJsJrLO 0 4 Ex 0.055299444 -0.097968262 0.153267706 2 1: GGA PBEJsJrHEG 0 1 Ex -0.481447184 -0.392249473 0.089197711 2 @@ -8053,7 +8110,6 @@ 1: GGA RPBE 0 1 Ex -0.296174098 -0.296156773 0.000017325 2 1: GGA RPBE 0 2 Ex -0.326644146 -0.326661487 0.000017341 2 1: GGA RPBE 0 3 Ex -0.011300229 -0.011333632 0.000033404 2 -7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 1: GGA RPBE 0 4 Ex -0.023491554 -0.023464242 0.000027312 2 1: GGA revPBE 0 1 Ex -0.342153685 -0.320161539 0.021992146 2 1: GGA revPBE 0 2 Ex -0.345790884 -0.367783048 0.021992164 2 @@ -8124,7 +8180,6 @@ 1: GGA PW91 0 1 Ex -1.460003308 -1.160796258 0.299207051 2 1: GGA PW91 0 2 Ex -1.363673908 -1.662880969 0.299207060 2 1: GGA PW91 0 3 Ex -0.056600799 -0.307116581 0.250515782 2 -7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 1: GGA PW91 0 4 Ex 0.000604671 0.383997657 0.383392986 2 1: GGA PBE 0 1 Ex -1.451918247 -1.161169620 0.290748627 2 1: GGA PBE 0 2 Ex -1.401272689 -1.692021326 0.290748637 2 @@ -8179,7 +8234,6 @@ 1: GGA AM05 0 4 Ex 0.002072379 0.185889366 0.183816986 2 1: GGA AM05 0 4 Ec -0.000093877 -0.007944285 0.007850408 2 1: GGA PW86 0 1 Ex -1.432824768 -1.098704715 0.334120052 2 -7: 2 8.400 0.000004681 -0.075347142 -0.075346959 -0.000000183 1: GGA PW86 0 2 Ex -1.389096520 -1.723216582 0.334120062 2 1: GGA PW86 0 3 Ex -0.025693649 -0.305245595 0.279551947 2 1: GGA PW86 0 4 Ex 0.000274487 0.446683866 0.446409379 2 @@ -8243,7 +8297,6 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.007895010 -0.052937361 0.060832371 2 1: GGA PBEGcGxHEG 0 1 Ex -1.242312218 -1.247519366 0.005207149 2 1: GGA PBEGcGxHEG 0 2 Ex -1.217074080 -1.211866932 0.005207148 2 -7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000078 1: GGA PBEGcGxHEG 0 3 Ex -0.006782164 0.232312167 0.239094331 2 1: GGA PBEGcGxHEG 0 4 Ex -0.031429133 -0.080933136 0.049504003 2 1: GGA PBESOL 0 1 Ex -1.253287503 -1.253862893 0.000575389 2 @@ -8321,7 +8374,6 @@ 1: GGA PBEGcGxLO 0 3 Ex -0.026000472 0.340225767 0.366226239 2 1: GGA PBEGcGxLO 0 4 Ex -0.038089908 -0.149249893 0.111159985 2 1: GGA PBEGcGxHEG 0 1 Ex -0.840117741 -1.026089767 0.185972026 2 -7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA PBEGcGxHEG 0 2 Ex -0.793435762 -0.607463729 0.185972033 2 1: GGA PBEGcGxHEG 0 3 Ex -0.029436920 0.254942209 0.284379129 2 1: GGA PBEGcGxHEG 0 4 Ex -0.043124201 -0.136586182 0.093461981 2 @@ -8392,7 +8444,6 @@ 1: GGA PBEJsJrLO 0 3 Ex -0.007503874 -0.086157109 0.078653235 2 1: GGA PBEJsJrLO 0 4 Ex -0.014089786 -0.041507889 0.027418103 2 1: GGA PBEJsJrHEG 0 1 Ex -0.200352441 -0.134879481 0.065472960 2 -7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: GGA PBEJsJrHEG 0 2 Ex -0.191728072 -0.257201051 0.065472980 2 1: GGA PBEJsJrHEG 0 3 Ex -0.004301343 -0.044119650 0.039818307 2 1: GGA PBEJsJrHEG 0 4 Ex -0.008076495 -0.021827323 0.013750828 2 @@ -8456,7 +8507,6 @@ 1: GGA revPBE 0 4 Ex 0.046148948 0.085755020 0.039606071 2 1: GGA LYP 0 1 Ex -0.392797164 -0.346084074 0.046713090 2 1: GGA LYP 0 1 Ec -0.866977007 -0.844403812 0.022573195 2 -7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA LYP 0 2 Ex -0.601186864 -0.647899954 0.046713090 2 1: GGA LYP 0 2 Ec -1.180830013 -1.203403208 0.022573195 2 1: GGA LYP 0 3 Ex 0.158083681 0.260224443 0.102140762 2 @@ -8523,7 +8573,6 @@ 1: GGA PW91 0 4 Ex 0.021917651 1.320462486 1.298544834 2 1: GGA PBE 0 1 Ex -0.880063482 5.896798198 6.776861680 2 1: GGA PBE 0 2 Ex -0.739697670 -7.516559353 6.776861683 2 -7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 1: GGA PBE 0 3 Ex 0.037659547 11.849748019 11.812088472 2 1: GGA PBE 0 4 Ex 0.014040023 2.206475030 2.192435006 2 1: GGA RPBE 0 1 Ex -1.013094792 6.556895101 7.569989893 2 @@ -8582,7 +8631,6 @@ 1: GGA B88 0 2 Ex -0.607875386 -16.524214708 15.916339321 2 1: GGA B88 0 3 Ex 0.006044613 26.640957386 26.634912773 2 1: GGA B88 0 4 Ex 0.002253519 8.121618584 8.119365065 2 -7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002250 1: GGA C09 0 1 Ex -0.547558800 14.764393083 15.311951883 2 1: GGA C09 0 2 Ex -0.520160939 -15.832112825 15.311951886 2 1: GGA C09 0 3 Ex 0.007350729 25.635273418 25.627922688 2 @@ -8644,7 +8692,6 @@ 1: GGA PBESOL 0 1 Ex -1.259811846 -1.290314168 0.030502322 2 1: GGA PBESOL 0 2 Ex -1.222216199 -1.191713888 0.030502311 2 1: GGA PBESOL 0 3 Ex 0.012342614 -0.037500242 0.049842856 2 -7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: GGA PBESOL 0 4 Ex 0.001386729 0.031539493 0.030152765 2 1: GGA AM05 0 1 Ex -1.246024563 -1.300253436 0.054228873 2 1: GGA AM05 0 1 Ec -0.064979526 -0.063870983 0.001108543 2 @@ -8713,7 +8760,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex 0.134424503 0.122820401 0.011604102 2 1: GGA PBEJsJrHEG 0 4 Ex -0.055622354 -0.106220090 0.050597736 2 1: GGA PBEGcGxLO 0 1 Ex -1.307427142 -1.251364307 0.056062835 2 -7: 2 10.000 0.000000117 -0.029088011 -0.029090107 0.000002095 1: GGA PBEGcGxLO 0 2 Ex -1.249673051 -1.305735878 0.056062827 2 1: GGA PBEGcGxLO 0 3 Ex 0.149978913 0.134003000 0.015975912 2 1: GGA PBEGcGxLO 0 4 Ex -0.062058479 -0.126755190 0.064696711 2 @@ -8780,7 +8826,6 @@ 1: GGA LYP 0 4 Ex 0.000096291 -0.475357347 0.475453638 2 1: GGA LYP 0 4 Ec 0.052991770 0.167129298 0.114137528 2 1: GGA WC 0 1 Ex -0.472250449 -0.566722067 0.094471618 2 -7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA WC 0 2 Ex -0.467983777 -0.373512166 0.094471611 2 1: GGA WC 0 3 Ex 0.001700883 -0.035639754 0.037340637 2 1: GGA WC 0 4 Ex 0.003034085 -0.042458281 0.045492366 2 @@ -8847,7 +8892,6 @@ 1: GGA RPBE 0 3 Ex 0.032962905 0.008037508 0.024925396 2 1: GGA RPBE 0 4 Ex 0.096226191 0.007581249 0.088644942 2 1: GGA revPBE 0 1 Ex -1.222597159 -1.150518780 0.072078380 2 -7: 2 10.400 0.000000042 -0.024899792 -0.024901679 0.000001887 1: GGA revPBE 0 2 Ex -1.286349527 -1.358427912 0.072078385 2 1: GGA revPBE 0 3 Ex 0.009472212 -0.045496540 0.054968752 2 1: GGA revPBE 0 4 Ex 0.027651533 -0.036609227 0.064260761 2 @@ -8916,7 +8960,6 @@ 1: GGA PW91 0 1 Ex -0.387738769 -0.410864128 0.023125359 2 1: GGA PW91 0 2 Ex -0.460120689 -0.436995326 0.023125363 2 1: GGA PW91 0 3 Ex 0.358813874 0.415706952 0.056893078 2 -7: 2 10.600 0.000000025 -0.023159554 -0.023161332 0.000001778 1: GGA PW91 0 4 Ex -0.194199283 -0.093389990 0.100809293 2 1: GGA PBE 0 1 Ex -0.691872148 -0.715945092 0.024072944 2 1: GGA PBE 0 2 Ex -0.712866985 -0.688794038 0.024072948 2 @@ -8976,7 +9019,6 @@ 1: GGA PW86 0 4 Ex 0.030295263 0.137976096 0.107680833 2 1: GGA B88 0 1 Ex -0.876267868 -0.891339144 0.015071275 2 1: GGA B88 0 2 Ex -0.867948362 -0.852877089 0.015071273 2 -7: 2 10.800 0.000000015 -0.021608555 -0.021610227 0.000001672 1: GGA B88 0 3 Ex -0.041241711 0.006105872 0.047347583 2 1: GGA B88 0 4 Ex 0.022321073 0.106994511 0.084673437 2 1: GGA C09 0 1 Ex -0.775298902 -0.790783568 0.015484667 2 @@ -9040,7 +9082,6 @@ 1: GGA PBESOL 0 1 Ex -1.063477398 -1.011749549 0.051727849 2 1: GGA PBESOL 0 2 Ex -1.133784750 -1.185512600 0.051727850 2 1: GGA PBESOL 0 3 Ex 0.082481654 -0.017115241 0.099596896 2 -7: 2 11.000 0.000000008 -0.020221667 -0.020223270 0.000001603 1: GGA PBESOL 0 4 Ex 0.175463762 0.211918538 0.036454776 2 1: GGA AM05 0 1 Ex -0.882518196 -0.772488671 0.110029524 2 1: GGA AM05 0 1 Ec -0.103746338 -0.104533580 0.000787242 2 @@ -9109,7 +9150,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex 0.087391747 0.062723003 0.024668744 2 1: GGA PBEJsJrHEG 0 4 Ex -0.030572731 -0.064971933 0.034399202 2 1: GGA PBEGcGxLO 0 1 Ex -0.646299397 -0.682515863 0.036216466 2 -7: 2 11.200 0.000000005 -0.018978407 -0.018979872 0.000001465 1: GGA PBEGcGxLO 0 2 Ex -0.620411574 -0.584195106 0.036216469 2 1: GGA PBEGcGxLO 0 3 Ex 0.028853093 -0.002867334 0.031720427 2 1: GGA PBEGcGxLO 0 4 Ex -0.010093835 -0.054323736 0.044229901 2 @@ -9180,7 +9220,6 @@ 1: GGA WC 0 3 Ex 0.008202378 0.092476468 0.084274090 2 1: GGA WC 0 4 Ex -0.074787783 0.017401745 0.092189528 2 1: GGA PBEJsJrLO 0 1 Ex -1.612766817 -1.640363293 0.027596476 2 -7: 2 11.400 0.000000003 -0.017861495 -0.017862944 0.000001448 1: GGA PBEJsJrLO 0 2 Ex -1.199923862 -1.172327403 0.027596459 2 1: GGA PBEJsJrLO 0 3 Ex 0.009415144 0.075093256 0.065678112 2 1: GGA PBEJsJrLO 0 4 Ex -0.085845562 -0.012284714 0.073560849 2 @@ -9240,8 +9279,6 @@ 1: GGA PBE 0 4 Ex -0.053025817 -0.039041990 0.013983827 2 1: GGA RPBE 0 1 Ex -1.405122386 -1.268349550 0.136772836 2 1: GGA RPBE 0 2 Ex -1.313233697 -1.450006543 0.136772847 2 -7: 2 11.600 0.000000002 -0.016855994 -0.016857324 0.000001330 -7: avgDiffVxc, maxDiffVxc = 0.000000680 0.000002261 1: GGA RPBE 0 3 Ex 0.033141589 0.287738666 0.254597077 2 1: GGA RPBE 0 4 Ex -0.173266237 -0.160835576 0.012430661 2 1: GGA revPBE 0 1 Ex -1.259855544 -1.163219625 0.096635918 2 @@ -9261,7 +9298,6 @@ 1: GGA WC 0 3 Ex -0.008013993 0.176126741 0.184140734 2 1: GGA WC 0 4 Ex 0.041897640 0.064363328 0.022465688 2 1: GGA PBEJsJrLO 0 1 Ex -1.257863262 -1.190315844 0.067547418 2 -5/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.37 sec 1: GGA PBEJsJrLO 0 2 Ex -1.261909329 -1.329456757 0.067547428 2 1: GGA PBEJsJrLO 0 3 Ex -0.001459299 0.188726266 0.190185565 2 1: GGA PBEJsJrLO 0 4 Ex 0.007629304 0.026095859 0.018466555 2 @@ -9460,7 +9496,7 @@ 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 0.40 sec +6/9 Test #1: libgridxc_test1 .................. Passed 0.30 sec 2: 2: funcs= VDW 2: auths= BH @@ -9535,26 +9571,35 @@ 2: 2 1.000 0.028016469 -0.884545454 -0.884543780 -0.000001674 2: 2 1.200 0.026517171 -0.871612702 -0.871612014 -0.000000689 2: 2 1.400 0.024848378 -0.853952605 -0.853955606 0.000003001 +3: Ex, Ec = -3.716289981 -0.771674483 +3: Dx, Dc = 1.192543612 0.121155159 2: 2 1.600 0.023052921 -0.835057592 -0.835056076 -0.000001515 2: 2 1.800 0.021174391 -0.813963082 -0.813962301 -0.000000781 +3: i1 i2 i3 iSpin Vxc dExc/dDens diff +3: 2 8 13 2 -0.313847006 -0.313847001 -0.000000004 2: 2 2.000 0.019255418 -0.791103995 -0.791104834 0.000000839 2: 2 2.200 0.017336125 -0.766590785 -0.766590764 -0.000000021 2: 2 2.400 0.015452834 -0.740674175 -0.740673952 -0.000000223 2: 2 2.600 0.013637077 -0.713633471 -0.713633829 0.000000357 +3: 4 2 23 2 -0.524218962 -0.524218971 0.000000009 2: 2 2.800 0.011914930 -0.685564496 -0.685564172 -0.000000325 2: 2 3.000 0.010306678 -0.656691901 -0.656690677 -0.000001224 2: 2 3.200 0.008826792 -0.627334141 -0.627338572 0.000004431 +3: 5 6 2 1 -0.626312320 -0.626312307 -0.000000013 2: 2 3.400 0.007484177 -0.597534542 -0.597529532 -0.000005011 2: 2 3.600 0.006282640 -0.567562765 -0.567563909 0.000001145 2: 2 3.800 0.005221523 -0.537678412 -0.537680207 0.000001795 +3: 4 2 9 2 -0.561691010 -0.561691012 0.000000002 2: 2 4.000 0.004296443 -0.507860006 -0.507858937 -0.000001069 2: 2 4.200 0.003500077 -0.478500307 -0.478499491 -0.000000816 2: 2 4.400 0.002822947 -0.449602251 -0.449606558 0.000004307 2: 2 4.600 0.002254159 -0.421308745 -0.421297662 -0.000011082 +3: 7 3 21 1 -0.491741169 -0.491741166 -0.000000003 2: 2 4.800 0.001782061 -0.394081537 -0.394097552 0.000016014 2: 2 5.000 0.001394815 -0.368503162 -0.368493534 -0.000009629 2: 2 5.200 0.001080853 -0.338654863 -0.338650607 -0.000004256 2: 2 5.400 0.000829225 -0.277895720 -0.277905487 0.000009767 +3: 1 2 0 2 -0.680189858 -0.680189865 0.000000007 2: 2 5.600 0.000629844 -0.196381546 -0.196376297 -0.000005249 2: 2 5.800 0.000473640 -0.161618667 -0.161619714 0.000001047 2: 2 6.000 0.000352629 -0.182070066 -0.182070669 0.000000602 @@ -9563,8 +9608,6 @@ 2: 2 6.600 0.000137039 -0.206427971 -0.206427295 -0.000000676 2: 2 6.800 0.000098022 -0.195576084 -0.195575020 -0.000001064 2: 2 7.000 0.000069415 -0.184792808 -0.184794315 0.000001508 -3: Ex, Ec = -3.716289981 -0.771674483 -3: Dx, Dc = 1.192543612 0.121155159 2: 2 7.200 0.000048666 -0.176119925 -0.176118834 -0.000001092 2: 2 7.400 0.000033779 -0.169045503 -0.169046254 0.000000751 2: 2 7.600 0.000023212 -0.161554180 -0.161553078 -0.000001102 @@ -9572,15 +9615,12 @@ 2: 2 8.000 0.000010636 -0.138751509 -0.138752581 0.000001072 2: 2 8.200 0.000007092 -0.123406831 -0.123402998 -0.000003833 2: 2 8.400 0.000004681 -0.107833248 -0.107835424 0.000002176 -3: i1 i2 i3 iSpin Vxc dExc/dDens diff -3: 2 8 13 2 -0.313847006 -0.313847001 -0.000000004 2: 2 8.600 0.000003059 -0.093844217 -0.093845341 0.000001124 2: 2 8.800 0.000001979 -0.082118108 -0.082117784 -0.000000324 2: 2 9.000 0.000001268 -0.072533230 -0.072536399 0.000003169 2: 2 9.200 0.000000804 -0.064613896 -0.064617440 0.000003544 2: 2 9.400 0.000000504 -0.057796389 -0.057800205 0.000003816 2: 2 9.600 0.000000313 -0.051913010 -0.051915902 0.000002892 -3: 4 2 23 2 -0.524218962 -0.524218971 0.000000009 2: 2 9.800 0.000000193 -0.046631823 -0.046634643 0.000002819 2: 2 10.000 0.000000117 -0.041859516 -0.041862069 0.000002552 2: 2 10.200 0.000000071 -0.037586671 -0.037588905 0.000002235 @@ -9588,15 +9628,11 @@ 2: 2 10.600 0.000000025 -0.030139120 -0.030140870 0.000001750 2: 2 10.800 0.000000015 -0.026918806 -0.026920318 0.000001512 2: 2 11.000 0.000000008 -0.023998661 -0.023999995 0.000001334 -3: 5 6 2 1 -0.626312320 -0.626312307 -0.000000013 2: 2 11.200 0.000000005 -0.021355613 -0.021356855 0.000001243 2: 2 11.400 0.000000003 -0.018968230 -0.018969162 0.000000932 2: 2 11.600 0.000000002 -0.016816386 -0.016817171 0.000000786 2: avgDiffVxc, maxDiffVxc = 0.000088744 0.000834790 -7/9 Test #2: libgridxc_test2 .................. Passed 21.86 sec -3: 4 2 9 2 -0.561691010 -0.561691012 0.000000002 -3: 7 3 21 1 -0.491741169 -0.491741166 -0.000000003 -3: 1 2 0 2 -0.680189858 -0.680189865 0.000000007 +7/9 Test #2: libgridxc_test2 .................. Passed 14.30 sec 4: 4: funcs= VDW 4: auths= BH @@ -9607,7 +9643,7 @@ 4: atomDx, cellDx, diff = 1.349799036 1.349797201 0.000001835 4: atomDc, cellDc, diff = 0.155982425 0.155866069 0.000116356 4: avgDiffVxc, maxDiffVxc = 0.000006161 0.038047291 -8/9 Test #4: libgridxc_test4 .................. Passed 28.95 sec +8/9 Test #4: libgridxc_test4 .................. Passed 18.29 sec 3: xc stress * volume = 3: -4.405894836 -0.011039400 0.003122993 3: -0.011039400 -4.442866097 0.004079677 @@ -9620,11 +9656,11 @@ 3: 0.000022309 -0.000006705 0.000059142 3: -0.000006704 0.000002015 -0.000017774 3: 0.000059142 -0.000017774 0.000156789 -9/9 Test #3: libgridxc_test3 .................. Passed 34.76 sec +9/9 Test #3: libgridxc_test3 .................. Passed 20.77 sec 100% tests passed, 0 tests failed out of 9 -Total Test time (real) = 34.76 sec +Total Test time (real) = 20.78 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary @@ -9632,7 +9668,7 @@ dh_testroot -O--buildsystem=cmake dh_prep -O--buildsystem=cmake dh_auto_install --destdir=debian/libgridxc-dev/ -O--buildsystem=cmake - cd obj-i686-linux-gnu && make -j11 install DESTDIR=/build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-i686-linux-gnu && make -j21 install DESTDIR=/build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.0.2 -B/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -9653,15 +9689,15 @@ make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend +make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' @@ -9669,65 +9705,65 @@ make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-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-2.0.2/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-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 -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[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. +make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.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_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test6.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build [ 68%] Built target libgridxc-test1 -[ 78%] Built target libgridxc-test2 -[ 82%] Built target libgridxc-test6 -[ 82%] Built target libgridxc-test4 -[ 84%] Built target libgridxc-test3 -[ 90%] Built target libgridxc-test_libxc -[ 92%] Built target libgridxc-test_libxc2 make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_hse06.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' -[ 96%] Built target libgridxc-test_hse06 -[100%] Built target libgridxc-test_match +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +[ 72%] Built target libgridxc-test2 +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_hse06.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' +[ 76%] Built target libgridxc-test3 +[ 84%] Built target libgridxc-test_libxc +[ 84%] Built target libgridxc-test6 +[ 92%] Built target libgridxc-test4 +[ 92%] Built target libgridxc-test_match +[ 96%] Built target libgridxc-test_libxc2 +[100%] Built target libgridxc-test_hse06 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall @@ -9744,40 +9780,40 @@ -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-targets.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-targets-relwithdebinfo.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0 --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fftr.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vdwxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_minvec.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_hybrids.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sorting.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_array.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_walltime.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_sp.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xwpbe.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_chkgmx.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_minvec.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_chkgmx.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_lda.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vdwxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft3d.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xwpbe.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_array.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_walltime.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_lda.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sorting.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/share/licenses/libgridxc/COPYING make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' dh_installdocs -O--buildsystem=cmake @@ -9807,12 +9843,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/77580/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/77580/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/40412 and its subdirectories -I: Current time: Tue Nov 19 19:49:17 -12 2024 -I: pbuilder-time-stamp: 1732088957 +I: removing directory /srv/workspace/pbuilder/77580 and its subdirectories +I: Current time: Wed Dec 24 04:14:35 +14 2025 +I: pbuilder-time-stamp: 1766499276