Wed Nov 20 05:27:30 UTC 2024 I: starting to build libgridxc/trixie/amd64 on jenkins on '2024-11-20 05:27' Wed Nov 20 05:27:30 UTC 2024 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/amd64_3/36787/console.log Wed Nov 20 05:27:30 UTC 2024 I: Downloading source for trixie/libgridxc=2.0.2-1 --2024-11-20 05:27:30-- http://deb.debian.org/debian/pool/main/libg/libgridxc/libgridxc_2.0.2-1.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 1986 (1.9K) [text/prs.lines.tag] Saving to: ‘libgridxc_2.0.2-1.dsc’ 0K . 100% 307M=0s 2024-11-20 05:27:30 (307 MB/s) - ‘libgridxc_2.0.2-1.dsc’ saved [1986/1986] Wed Nov 20 05:27:31 UTC 2024 I: libgridxc_2.0.2-1.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: libgridxc Binary: libgridxc-dev Architecture: any Version: 2.0.2-1 Maintainer: Debichem Team Uploaders: Michael Banck Homepage: https://gitlab.com/siesta-project/libraries/libgridxc Standards-Version: 4.1.3 Vcs-Browser: https://salsa.debian.org/debichem-team/libgridxc Vcs-Git: https://salsa.debian.org/debichem-team/libgridxc.git Build-Depends: cmake, debhelper-compat (= 12), gfortran, libxc-dev, pkg-config Package-List: libgridxc-dev deb libdevel optional arch=any Checksums-Sha1: 40c05e8d88e923497c1a696ea618d9b30f888e40 301412 libgridxc_2.0.2.orig.tar.bz2 6c4e660fc949f977abc352104ad9f6ed279390ef 2720 libgridxc_2.0.2-1.debian.tar.xz Checksums-Sha256: e9a83eae350d3a66a854165cef07bc03cf487e7fd4120940ebf57aa306d715ed 301412 libgridxc_2.0.2.orig.tar.bz2 2db7b6250b888dc522f0366816063acf7a8ca8ab689835da763940c020a5e733 2720 libgridxc_2.0.2-1.debian.tar.xz Files: b19946859685369913a05784582110db 301412 libgridxc_2.0.2.orig.tar.bz2 53eb6536b24dc81440e631455f0300d2 2720 libgridxc_2.0.2-1.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQIzBAEBCgAdFiEEnKh3dJ+rLk+paGLs3GhqJ7Q0gbAFAmc2UdAACgkQ3GhqJ7Q0 gbCADw//Rc7XfaxPCUggBOYFsPv/cXXCocVnLHpe5JRINXmTdRTKRlDzMe6HY5Fu GaYo2yMooEd8fPS+E1a7vXGDoUpZci8OkHzsz76YLO5fjEqfS9IZX0pbX1kWROgm DN0lXlf2zba7Kt5s8mYTyaQJxBwEiylZ50vjzJN74OMqeqnCuwXO6gZglnBh7Zxs Z+rQ+H0ZJFQ/CdJ4n1Olc5yvSG2T/aw5GJ/irIeN6UlxPoDSjD7I4YMwDidinYu+ baX+ooBlqSN8SmLYJvDW85IHajfAzsqrCPKiLLfe4V18lkbgUv/iLIAfrMsO4cIX ZNf04yUhQZ+lEbi3ZN1aazi5kBfd5D/PNhfmbmekdEBrs/RipVf2Czn3nrEObd2T naD6NWFKdYOISfz0IijaWkUHRqz8yH80+NW5P1jU3WEPeeKTnFvxL+bS6LSUnVAV KZFGlX436j3YljUrA88jQHzCni7uq0VlUBWvq5SGFQc3KWgG+xssEP9UlqQzg50B B54biY8aLscLtJDO1tFmMYsbH03204SQ0vg6NUJSzo34/8+r1jnIOc5IqOQkVBbw b9ccz91f9bB/y3kfi3ugylik1rZojZgFk+thMx9Qogim0gQDGLMx3pt4ytUhjN08 29/5Evx4CH0FkwELcwpw2l/bOz/uvFfUQehm4noZ5UYtButAZ2Q= =T9tk -----END PGP SIGNATURE----- Wed Nov 20 05:27:31 UTC 2024 I: Checking whether the package is not for us Wed Nov 20 05:27:31 UTC 2024 I: Starting 1st build on remote node ionos1-amd64.debian.net. Wed Nov 20 05:27:31 UTC 2024 I: Preparing to do remote build '1' on ionos1-amd64.debian.net. Wed Nov 20 05:29:48 UTC 2024 I: Deleting $TMPDIR on ionos1-amd64.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Tue Nov 19 17:27:34 -12 2024 I: pbuilder-time-stamp: 1732080454 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [libgridxc_2.0.2-1.dsc] I: copying [./libgridxc_2.0.2.orig.tar.bz2] I: copying [./libgridxc_2.0.2-1.debian.tar.xz] I: Extracting source gpgv: Signature made Thu Nov 14 19:38:56 2024 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./libgridxc_2.0.2-1.dsc: no acceptable signature found dpkg-source: info: extracting libgridxc in libgridxc-2.0.2 dpkg-source: info: unpacking libgridxc_2.0.2.orig.tar.bz2 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/2553569/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='amd64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' DISTRIBUTION='trixie' HOME='/root' HOST_ARCH='amd64' IFS=' ' INVOCATION_ID='e327eb95f0c245d0a176787c619811ba' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='2553569' PS1='# ' PS2='> ' 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.TryT3hOb/pbuilderrc_1Yw3 --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.TryT3hOb/b1 --logfile b1/build.log libgridxc_2.0.2-1.dsc' SUDO_GID='110' SUDO_UID='105' 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' I: uname -a Linux ionos1-amd64 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/2553569/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: amd64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: cmake, debhelper-compat (= 12), gfortran, libxc-dev, pkg-config dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19969 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on cmake; however: Package cmake is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 12); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on libxc-dev; however: Package libxc-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bsdextrautils{a} cmake{a} cmake-data{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} dwz{a} file{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-x86-64-linux-gnu{a} gfortran-x86-64-linux-gnu{a} groff-base{a} intltool-debian{a} libarchive-zip-perl{a} libarchive13t64{a} libbrotli1{a} libcom-err2{a} libcurl4t64{a} libdebhelper-perl{a} libelf1t64{a} libexpat1{a} libfile-stripnondeterminism-perl{a} libgfortran-14-dev{a} libgfortran5{a} libgssapi-krb5-2{a} libicu72{a} libjsoncpp26{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} libldap-2.5-0{a} libmagic-mgc{a} libmagic1t64{a} libnghttp2-14{a} libpipeline1{a} libpkgconf3{a} libproc2-0{a} libpsl5t64{a} librhash1{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libssh2-1t64{a} libtool{a} libuchardet0{a} libuv1t64{a} libxc-dev{a} libxc9{a} libxml2{a} m4{a} man-db{a} pkg-config{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} procps{a} sensible-utils{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl krb5-locales libarchive-cpio-perl libldap-common libltdl-dev libmail-sendmail-perl libsasl2-modules linux-sysctl-defaults lynx psmisc publicsuffix wget 0 packages upgraded, 65 newly installed, 0 to remove and 0 not upgraded. Need to get 62.4 MB of archives. After unpacking 227 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main amd64 libproc2-0 amd64 2:4.0.4-6 [64.8 kB] Get: 2 http://deb.debian.org/debian trixie/main amd64 procps amd64 2:4.0.4-6 [879 kB] Get: 3 http://deb.debian.org/debian trixie/main amd64 sensible-utils all 0.0.24 [24.8 kB] Get: 4 http://deb.debian.org/debian trixie/main amd64 libmagic-mgc amd64 1:5.45-3+b1 [314 kB] Get: 5 http://deb.debian.org/debian trixie/main amd64 libmagic1t64 amd64 1:5.45-3+b1 [108 kB] Get: 6 http://deb.debian.org/debian trixie/main amd64 file amd64 1:5.45-3+b1 [43.3 kB] Get: 7 http://deb.debian.org/debian trixie/main amd64 gettext-base amd64 0.22.5-2 [200 kB] Get: 8 http://deb.debian.org/debian trixie/main amd64 libuchardet0 amd64 0.0.8-1+b2 [68.9 kB] Get: 9 http://deb.debian.org/debian trixie/main amd64 groff-base amd64 1.23.0-5 [1181 kB] Get: 10 http://deb.debian.org/debian trixie/main amd64 bsdextrautils amd64 2.40.2-11 [91.5 kB] Get: 11 http://deb.debian.org/debian trixie/main amd64 libpipeline1 amd64 1.5.8-1 [42.0 kB] Get: 12 http://deb.debian.org/debian trixie/main amd64 man-db amd64 2.13.0-1 [1420 kB] Get: 13 http://deb.debian.org/debian trixie/main amd64 m4 amd64 1.4.19-4 [287 kB] Get: 14 http://deb.debian.org/debian trixie/main amd64 autoconf all 2.72-3 [493 kB] Get: 15 http://deb.debian.org/debian trixie/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 16 http://deb.debian.org/debian trixie/main amd64 automake all 1:1.16.5-1.3 [823 kB] Get: 17 http://deb.debian.org/debian trixie/main amd64 autopoint all 0.22.5-2 [723 kB] Get: 18 http://deb.debian.org/debian trixie/main amd64 cmake-data all 3.30.5-1 [2223 kB] Get: 19 http://deb.debian.org/debian trixie/main amd64 libicu72 amd64 72.1-5+b1 [9423 kB] Get: 20 http://deb.debian.org/debian trixie/main amd64 libxml2 amd64 2.12.7+dfsg+really2.9.14-0.2+b1 [699 kB] Get: 21 http://deb.debian.org/debian trixie/main amd64 libarchive13t64 amd64 3.7.4-1.1 [349 kB] Get: 22 http://deb.debian.org/debian trixie/main amd64 libbrotli1 amd64 1.1.0-2+b6 [302 kB] Get: 23 http://deb.debian.org/debian trixie/main amd64 libkrb5support0 amd64 1.21.3-3 [32.5 kB] Get: 24 http://deb.debian.org/debian trixie/main amd64 libcom-err2 amd64 1.47.1-1+b1 [23.2 kB] Get: 25 http://deb.debian.org/debian trixie/main amd64 libk5crypto3 amd64 1.21.3-3 [79.9 kB] Get: 26 http://deb.debian.org/debian trixie/main amd64 libkeyutils1 amd64 1.6.3-4 [9092 B] Get: 27 http://deb.debian.org/debian trixie/main amd64 libkrb5-3 amd64 1.21.3-3 [324 kB] Get: 28 http://deb.debian.org/debian trixie/main amd64 libgssapi-krb5-2 amd64 1.21.3-3 [136 kB] Get: 29 http://deb.debian.org/debian trixie/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-8 [19.6 kB] Get: 30 http://deb.debian.org/debian trixie/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-8 [57.3 kB] Get: 31 http://deb.debian.org/debian trixie/main amd64 libldap-2.5-0 amd64 2.5.18+dfsg-3+b1 [188 kB] Get: 32 http://deb.debian.org/debian trixie/main amd64 libnghttp2-14 amd64 1.64.0-1 [75.5 kB] Get: 33 http://deb.debian.org/debian trixie/main amd64 libpsl5t64 amd64 0.21.2-1.1+b1 [57.2 kB] Get: 34 http://deb.debian.org/debian trixie/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2+b5 [58.8 kB] Get: 35 http://deb.debian.org/debian trixie/main amd64 libssh2-1t64 amd64 1.11.1-1 [245 kB] Get: 36 http://deb.debian.org/debian trixie/main amd64 libcurl4t64 amd64 8.11.0-1 [351 kB] Get: 37 http://deb.debian.org/debian trixie/main amd64 libexpat1 amd64 2.6.4-1 [106 kB] Get: 38 http://deb.debian.org/debian trixie/main amd64 libjsoncpp26 amd64 1.9.6-2 [81.6 kB] Get: 39 http://deb.debian.org/debian trixie/main amd64 librhash1 amd64 1.4.5-1 [132 kB] Get: 40 http://deb.debian.org/debian trixie/main amd64 libuv1t64 amd64 1.48.0-7 [148 kB] Get: 41 http://deb.debian.org/debian trixie/main amd64 cmake amd64 3.30.5-1 [11.4 MB] Get: 42 http://deb.debian.org/debian trixie/main amd64 libdebhelper-perl all 13.20 [89.7 kB] Get: 43 http://deb.debian.org/debian trixie/main amd64 libtool all 2.4.7-8 [517 kB] Get: 44 http://deb.debian.org/debian trixie/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 45 http://deb.debian.org/debian trixie/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 46 http://deb.debian.org/debian trixie/main amd64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 47 http://deb.debian.org/debian trixie/main amd64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 48 http://deb.debian.org/debian trixie/main amd64 libelf1t64 amd64 0.192-4 [189 kB] Get: 49 http://deb.debian.org/debian trixie/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get: 50 http://deb.debian.org/debian trixie/main amd64 gettext amd64 0.22.5-2 [1601 kB] Get: 51 http://deb.debian.org/debian trixie/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 52 http://deb.debian.org/debian trixie/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 53 http://deb.debian.org/debian trixie/main amd64 debhelper all 13.20 [915 kB] Get: 54 http://deb.debian.org/debian trixie/main amd64 libgfortran5 amd64 14.2.0-8 [836 kB] Get: 55 http://deb.debian.org/debian trixie/main amd64 libgfortran-14-dev amd64 14.2.0-8 [878 kB] Get: 56 http://deb.debian.org/debian trixie/main amd64 gfortran-14-x86-64-linux-gnu amd64 14.2.0-8 [11.7 MB] Get: 57 http://deb.debian.org/debian trixie/main amd64 gfortran-14 amd64 14.2.0-8 [12.2 kB] Get: 58 http://deb.debian.org/debian trixie/main amd64 gfortran-x86-64-linux-gnu amd64 4:14.2.0-1 [1284 B] Get: 59 http://deb.debian.org/debian trixie/main amd64 gfortran amd64 4:14.2.0-1 [1436 B] Get: 60 http://deb.debian.org/debian trixie/main amd64 libpkgconf3 amd64 1.8.1-4 [36.4 kB] Get: 61 http://deb.debian.org/debian trixie/main amd64 libxc9 amd64 5.2.3-1+b2 [3863 kB] Get: 62 http://deb.debian.org/debian trixie/main amd64 libxc-dev amd64 5.2.3-1+b2 [7815 kB] Get: 63 http://deb.debian.org/debian trixie/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB] Get: 64 http://deb.debian.org/debian trixie/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB] Get: 65 http://deb.debian.org/debian trixie/main amd64 pkg-config amd64 1.8.1-4 [14.0 kB] Fetched 62.4 MB in 11s (5853 kB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libproc2-0:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19969 files and directories currently installed.) Preparing to unpack .../00-libproc2-0_2%3a4.0.4-6_amd64.deb ... Unpacking libproc2-0:amd64 (2:4.0.4-6) ... Selecting previously unselected package procps. Preparing to unpack .../01-procps_2%3a4.0.4-6_amd64.deb ... Unpacking procps (2:4.0.4-6) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../02-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../03-libmagic-mgc_1%3a5.45-3+b1_amd64.deb ... Unpacking libmagic-mgc (1:5.45-3+b1) ... Selecting previously unselected package libmagic1t64:amd64. Preparing to unpack .../04-libmagic1t64_1%3a5.45-3+b1_amd64.deb ... Unpacking libmagic1t64:amd64 (1:5.45-3+b1) ... Selecting previously unselected package file. Preparing to unpack .../05-file_1%3a5.45-3+b1_amd64.deb ... Unpacking file (1:5.45-3+b1) ... Selecting previously unselected package gettext-base. Preparing to unpack .../06-gettext-base_0.22.5-2_amd64.deb ... Unpacking gettext-base (0.22.5-2) ... Selecting previously unselected package libuchardet0:amd64. Preparing to unpack .../07-libuchardet0_0.0.8-1+b2_amd64.deb ... Unpacking libuchardet0:amd64 (0.0.8-1+b2) ... Selecting previously unselected package groff-base. Preparing to unpack .../08-groff-base_1.23.0-5_amd64.deb ... Unpacking groff-base (1.23.0-5) ... 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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 dpkg-buildpackage: info: source package libgridxc dpkg-buildpackage: info: source version 2.0.2-1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 fakeroot debian/rules clean dh clean --buildsystem=cmake dh_auto_clean -O--buildsystem=cmake dh_autoreconf_clean -O--buildsystem=cmake dh_clean -O--buildsystem=cmake debian/rules build dh build --buildsystem=cmake dh_update_autotools_config -O--buildsystem=cmake dh_autoreconf -O--buildsystem=cmake libtoolize: putting auxiliary files in AC_CONFIG_AUX_DIR, 'config/gnu'. libtoolize: copying file 'config/gnu/ltmain.sh' libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'config/m4'. libtoolize: copying file 'config/m4/libtool.m4' libtoolize: copying file 'config/m4/ltoptions.m4' libtoolize: copying file 'config/m4/ltsugar.m4' libtoolize: copying file 'config/m4/ltversion.m4' libtoolize: copying file 'config/m4/lt~obsolete.m4' configure.ac:470: warning: AC_OUTPUT should be used without arguments. configure.ac:470: You should run autoupdate. configure.ac:273: installing 'config/gnu/compile' configure.ac:28: installing 'config/gnu/config.guess' configure.ac:28: installing 'config/gnu/config.sub' configure.ac:29: installing 'config/gnu/install-sh' configure.ac:29: installing 'config/gnu/missing' parallel-tests: installing 'config/gnu/test-driver' debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2' dh_auto_configure -- \ -DCMAKE_BUILD_TYPE= \ -DWITH_LIBXC=YES cd obj-x86_64-linux-gnu && DEB_PYTHON_INSTALL_LAYOUT=deb PKG_CONFIG=/usr/bin/pkg-config cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DFETCHCONTENT_FULLY_DISCONNECTED=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu -DCMAKE_BUILD_TYPE= -DWITH_LIBXC=YES .. -- The Fortran compiler identification is GNU 14.2.0 -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Check for working Fortran compiler: /usr/bin/f95 - skipped -- Setting build type to 'RelWithDebInfo' as none was specified. Using a GNU compiler -- Adding '-fallow-argument-mismatch' for GNU >= 10.0 -- Flags for Fortran-compiler (build type: RelWithDebInfo): -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -- Flags for C-compiler (build type: RelWithDebInfo): -g -O2 -- Searching for libXC library -- Checking for module 'libxc' -- Found libxc, version 5.2.3 -- Using pkg-config to search for libxcf03 -- Checking for module 'libxcf03' -- Found libxcf03, version 5.2.3 -- Using pkg-config to search for libxcf03 - found -- Searching for libXC library - found -- Configuring docs -- Configuring libgridxc tests... -- Configuring done (0.7s) -- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: CMAKE_EXPORT_NO_PACKAGE_REGISTRY CMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY FETCHCONTENT_FULLY_DISCONNECTED -- Build files have been written to: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2' dh_auto_build -O--buildsystem=cmake cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.0.2 -B/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles/libgridxc-lib.dir/DependInfo.cmake "--color=" Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles/libgridxc-lib.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles/libgridxc-lib.dir/depend.internal". 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Scanning dependencies of target libgridxc-lib make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o [ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o [ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o [ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/sys.F90 -o 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CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/cellsubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/sorting.F90 -o CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_sys.mod CMakeFiles/libgridxc-lib.dir/gridxc_sys.mod.stamp GNU 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CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o.provides.build [ 47%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o [ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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/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 /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/vv_vdwxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fft3d.mod CMakeFiles/libgridxc-lib.dir/gridxc_fft3d.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/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-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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_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-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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/cellxc.F90.o [ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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 /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o.provides.build [ 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-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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 [ 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" /usr/bin/ranlib libgridxc.a make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [ 64%] Built target libgridxc-lib make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/depend make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 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Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 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/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". Scanning dependencies of target libgridxc-test3 Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Scanning dependencies of target libgridxc-test1 Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Scanning dependencies of target libgridxc-test6 Scanning dependencies of target libgridxc-test2 Scanning dependencies of target libgridxc-test_libxc2 Scanning dependencies of target libgridxc-test4 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' Scanning dependencies of target libgridxc-test_libxc make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' Scanning dependencies of target libgridxc-test_hse06 Scanning dependencies of target libgridxc-test_match make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o [ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o [ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o [ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o [ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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 [ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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 [ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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 [ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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 [ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -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 [ 84%] Linking Fortran executable libgridxc-test_hse06 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1 [ 86%] Linking Fortran executable libgridxc-test_match cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.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 -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so [ 88%] Linking Fortran executable libgridxc-test_libxc2 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 [ 90%] Linking Fortran executable libgridxc-test_libxc cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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 -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so [ 92%] Linking Fortran executable libgridxc-test2 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so [ 94%] Linking Fortran executable libgridxc-test6 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so [ 94%] Built target libgridxc-test_hse06 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [ 94%] Built target libgridxc-test_match make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [ 94%] Built target libgridxc-test_libxc2 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [ 94%] Built target libgridxc-test_libxc [ 94%] Built target libgridxc-test2 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [ 96%] Linking Fortran executable libgridxc-test4 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 [ 96%] Built target libgridxc-test6 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so [ 98%] Linking Fortran executable libgridxc-test1 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test1.dir/test1.f90.o" -o libgridxc-test1 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [ 98%] Built target libgridxc-test4 [100%] Linking Fortran executable libgridxc-test3 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test3.dir/link.txt --verbose=1 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test3.dir/test3.F90.o" -o libgridxc-test3 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so [100%] Built target libgridxc-test1 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [100%] Built target libgridxc-test3 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' dh_auto_test -O--buildsystem=cmake cd obj-x86_64-linux-gnu && make -j20 test ARGS\+=--verbose ARGS\+=-j20 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' Running tests... /usr/bin/ctest --force-new-ctest-process --verbose -j20 UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu Constructing a list of tests Done constructing a list of tests Updating test list for fixtures Added 0 tests to meet fixture requirements Checking test dependency graph... Checking test dependency graph end test 1 Start 1: libgridxc_test1 1: Test command: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/libgridxc-test1 1: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 1: Test timeout computed to be: 10000000 test 2 Start 2: libgridxc_test2 2: Test command: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/libgridxc-test2 2: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 2: Test timeout computed to be: 10000000 test 3 Start 3: libgridxc_test3 3: Test command: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/libgridxc-test3 3: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 3: Test timeout computed to be: 10000000 test 4 Start 4: libgridxc_test4 4: Test command: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/libgridxc-test4 4: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 4: Test timeout computed to be: 10000000 test 5 Start 5: libgridxc_test6 5: Test command: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/libgridxc-test6 5: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 5: Test timeout computed to be: 10000000 test 6 Start 6: libgridxc_test_libxc 6: Test command: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/libgridxc-test_libxc 6: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 6: Test timeout computed to be: 10000000 test 7 Start 7: libgridxc_test_libxc2 7: Test command: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/libgridxc-test_libxc2 7: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 7: Test timeout computed to be: 10000000 test 8 Start 8: libgridxc_test_match 8: Test command: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/libgridxc-test_match 8: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 8: Test timeout computed to be: 10000000 test 9 Start 9: libgridxc_test_hse06 9: Test command: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/libgridxc-test_hse06 9: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 9: Test timeout computed to be: 10000000 1: 1: iSpin dens gradDens 1: 1 0.012454543 -0.061346294 -0.068923405 -0.106577679 1: 2 0.009313792 -0.097071676 0.032777474 0.040672409 1: 3 -0.001792404 -0.094792515 0.005206488 0.032900796 1: 4 0.000126122 -0.028726647 0.033749071 0.070134047 1: 1: func auth xyz iSpin Ex|Ec deriv(anal) deriv(num) diff err 1: LDA PZ 0 1 Ex -0.286794975 -0.286794983 0.000000008 0 1: LDA PZ 0 1 Ec -0.045318233 -0.045318233 0.000000000 0 1: LDA PZ 0 2 Ex -0.260107171 -0.260107171 0.000000000 0 1: LDA PZ 0 2 Ec 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0.058648797 0.567879039 0.509230242 2 1: GGA PBE 0 4 Ex 0.016268297 -0.762055140 0.778323437 2 1: GGA RPBE 0 1 Ex -0.200278503 -1.226031290 1.025752786 2 1: GGA RPBE 0 2 Ex -0.257619121 0.768133639 1.025752760 2 1: GGA RPBE 0 3 Ex 0.068086291 0.806401916 0.738315626 2 1: GGA RPBE 0 4 Ex 0.018886116 -1.085656677 1.104542794 2 1: GGA revPBE 0 1 Ex -0.212525140 -1.262082218 1.049557078 2 1: GGA revPBE 0 2 Ex -0.291614011 0.757943039 1.049557050 2 1: GGA revPBE 0 3 Ex 0.093910182 0.867635082 0.773724900 2 1: GGA revPBE 0 4 Ex 0.026049277 -1.170010983 1.196060260 2 1: GGA LYP 0 1 Ex -0.166437270 -1.025876176 0.859438906 2 1: GGA LYP 0 1 Ec -0.028853965 0.053756282 0.082610247 2 1: GGA LYP 0 2 Ex -0.196591832 0.662847074 0.859438906 2 1: GGA LYP 0 2 Ec -0.378919007 -0.461529254 0.082610247 2 1: GGA LYP 0 3 Ex 0.035805548 1.216473042 1.180667493 2 1: GGA LYP 0 3 Ec 0.415667479 0.322339453 0.093328027 2 1: GGA LYP 0 4 Ex 0.009931922 -2.941807317 2.951739239 2 1: GGA LYP 0 4 Ec 0.115299928 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0.712424249 0.198908135 1.091344844 1: 3 -0.123753557 -0.075154913 0.541295157 2.165300558 1: 4 -0.050229497 -0.851333141 -0.585276623 -0.334468044 1: GGA PW91 0 1 Ex -0.780073130 -0.772260478 0.007812652 2 1: GGA PW91 0 2 Ex -0.596114837 -0.603927490 0.007812653 2 1: GGA PW91 0 3 Ex 0.101898856 0.139724998 0.037826142 2 1: GGA PW91 0 4 Ex 0.041359039 -0.034460967 0.075820006 2 1: GGA PBE 0 1 Ex -0.820946335 -0.811640640 0.009305695 2 1: GGA PBE 0 2 Ex -0.812564005 -0.821869700 0.009305695 2 1: GGA PBE 0 3 Ex 0.004643171 0.054137133 0.049493962 2 1: GGA PBE 0 4 Ex 0.001884586 -0.099361750 0.101246335 2 1: GGA RPBE 0 1 Ex -0.773638611 -0.761464745 0.012173866 2 1: GGA RPBE 0 2 Ex -0.817663017 -0.829836882 0.012173865 2 1: GGA RPBE 0 3 Ex -0.024386161 0.040190459 0.064576620 2 1: GGA RPBE 0 4 Ex -0.009897935 -0.141925785 0.132027850 2 1: GGA revPBE 0 1 Ex -0.813244674 -0.801671098 0.011573576 2 1: GGA revPBE 0 2 Ex -0.948502716 -0.960076291 0.011573576 2 1: GGA revPBE 0 3 Ex -0.074922633 -0.013220761 0.061701872 2 1: GGA revPBE 0 4 Ex -0.030409842 -0.156689989 0.126280147 2 1: GGA LYP 0 1 Ex -0.783986073 -0.769573155 0.014412918 2 1: GGA LYP 0 1 Ec 0.048196058 0.054715747 0.006519688 2 1: GGA LYP 0 2 Ex -0.667927584 -0.682340502 0.014412918 2 1: GGA LYP 0 2 Ec 0.096989685 0.090469997 0.006519688 2 1: GGA LYP 0 3 Ex 0.064287546 0.154855020 0.090567474 2 1: GGA LYP 0 3 Ec 0.027027946 0.051805048 0.024777102 2 1: GGA LYP 0 4 Ex 0.026093238 -0.164990361 0.191083599 2 1: GGA LYP 0 4 Ec 0.010970191 -0.035575450 0.046545641 2 1: GGA WC 0 1 Ex -0.847233200 -0.840378707 0.006854493 2 1: GGA WC 0 2 Ex -0.813579879 -0.820434372 0.006854492 2 1: GGA WC 0 3 Ex 0.018641371 0.055164859 0.036523488 2 1: GGA WC 0 4 Ex 0.007566221 -0.067175217 0.074741438 2 1: GGA PBEJsJrLO 0 1 Ex -0.819183502 -0.811428502 0.007755000 2 1: GGA PBEJsJrLO 0 2 Ex -0.805526232 -0.813281231 0.007755000 2 1: GGA PBEJsJrLO 0 3 Ex 0.007565085 0.048889585 0.041324500 2 1: GGA PBEJsJrLO 0 4 Ex 0.003070542 -0.081496796 0.084567337 2 1: GGA PBEJsJrHEG 0 1 Ex -0.824461685 -0.818061653 0.006400032 2 1: GGA PBEJsJrHEG 0 2 Ex -0.727587561 -0.733987592 0.006400032 2 1: GGA PBEJsJrHEG 0 3 Ex 0.053660872 0.087700037 0.034039164 2 1: GGA PBEJsJrHEG 0 4 Ex 0.021780049 -0.047851290 0.069631339 2 1: GGA PBEGcGxLO 0 1 Ex -0.822000728 -0.815116888 0.006883840 2 1: GGA PBEGcGxLO 0 2 Ex -0.801416078 -0.808299917 0.006883839 2 1: GGA PBEGcGxLO 0 3 Ex 0.011402325 0.048145484 0.036743158 2 1: GGA PBEGcGxLO 0 4 Ex 0.004628013 -0.070589374 0.075217387 2 1: GGA PBEGcGxHEG 0 1 Ex -0.822803343 -0.816973594 0.005829749 2 1: GGA PBEGcGxHEG 0 2 Ex -0.724929648 -0.730759397 0.005829748 2 1: GGA PBEGcGxHEG 0 3 Ex 0.054214558 0.085248079 0.031033521 2 1: GGA PBEGcGxHEG 0 4 Ex 0.022004781 -0.041489628 0.063494409 2 1: GGA PBESOL 0 1 Ex -0.822000728 -0.815116888 0.006883840 2 6: 1 4.200 0.005250115 -0.520082870 -0.520082870 0.000000001 6: 1 4.400 0.004234421 -0.487004137 -0.487004139 0.000000002 6: 1 4.600 0.003381238 -0.453240679 -0.453240680 0.000000001 6: 1 4.800 0.002673091 -0.418441530 -0.418441528 -0.000000002 9: Built-in Ex, Ec, sum: -4.35557595 -0.64530376 -5.00087971 9: -0.96381 -0.96241 -0.95818 -0.95085 -0.94096 -0.92821 9: -0.91301 -0.89533 -0.87543 -0.85345 -0.82960 -0.80409 9: -0.77712 -0.74892 -0.71968 -0.68963 -0.65894 -0.62781 9: -0.59638 -0.56477 -0.53302 -0.50110 -0.46885 -0.43600 9: -0.40231 -0.36779 -0.33297 -0.29914 -0.26803 -0.24125 9: -0.21962 -0.20283 -0.18970 -0.17872 -0.16848 -0.15809 9: -0.14712 -0.13555 -0.12361 -0.11161 -0.09987 -0.08863 9: -0.07810 -0.06838 -0.05953 -0.05157 -0.04446 -0.03816 9: -0.03262 -0.02778 -0.02356 -0.01992 -0.01677 -0.01408 9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00036 9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 9: libxc Ex, Ec, sum: -2.09822342 -2.09822342 -4.19644685 9: -0.77367 -0.77146 -0.76482 -0.76250 -0.75239 -0.74512 9: -0.73278 -0.72042 -0.70583 -0.69001 -0.67289 -0.65467 9: -0.63545 -0.61533 -0.59429 -0.57225 -0.54897 -0.52411 9: -0.49730 -0.46848 -0.43849 -0.40992 -0.38698 -0.37290 9: -0.36315 -0.34398 -0.30778 -0.26529 -0.23213 -0.21168 9: -0.19843 -0.18753 -0.17708 -0.16672 -0.15639 -0.14595 9: -0.13516 -0.12347 -0.11059 -0.10133 -0.09618 -0.08875 9: -0.07873 -0.06891 -0.05991 -0.05182 -0.04462 -0.03827 9: -0.03269 -0.02782 -0.02359 -0.01993 -0.01678 -0.01408 9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00033 9: -0.00026 -0.00020 -0.00016 -0.00012 0.00000 0.00000 9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 9: 0.00000 0.00000 0.00000 0.00000 0.00000 1/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec 2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec 1: GGA PBESOL 0 2 Ex -0.801416078 -0.808299917 0.006883839 2 1: GGA PBESOL 0 3 Ex 0.011402325 0.048145484 0.036743158 2 1: GGA PBESOL 0 4 Ex 0.004628013 -0.070589374 0.075217387 2 1: GGA AM05 0 1 Ex -0.769725783 -0.762130340 0.007595443 2 1: GGA AM05 0 1 Ec -0.055638723 -0.055761491 0.000122767 2 1: GGA AM05 0 2 Ex -0.577227642 -0.584823085 0.007595443 2 1: GGA AM05 0 2 Ec -0.103081638 -0.102958871 0.000122767 2 1: GGA AM05 0 3 Ex 0.106629280 0.156286337 0.049657057 2 1: GGA AM05 0 3 Ec -0.026279754 -0.026931430 0.000651675 2 1: GGA AM05 0 4 Ex 0.043279039 -0.062172516 0.105451555 2 1: GGA AM05 0 4 Ec -0.010666512 -0.009333963 0.001332549 2 1: GGA PW86 0 1 Ex -0.845514408 -0.834970521 0.010543887 2 1: GGA PW86 0 2 Ex -0.787945884 -0.798489770 0.010543886 2 1: GGA PW86 0 3 Ex 0.031888569 0.092291723 0.060403154 2 1: GGA PW86 0 4 Ex 0.012943036 -0.112427325 0.125370361 2 1: GGA B88 0 1 Ex -0.783633438 -0.769223615 0.014409823 2 1: GGA B88 0 2 Ex -0.667757041 -0.682166861 0.014409821 2 1: GGA B88 0 3 Ex 0.064186681 0.154736672 0.090549990 2 1: GGA B88 0 4 Ex 0.026052299 -0.164995176 0.191047476 2 1: GGA C09 0 1 Ex -0.841332841 -0.834378491 0.006954351 2 1: GGA C09 0 2 Ex -0.957977822 -0.964932171 0.006954350 2 1: GGA C09 0 3 Ex -0.064612418 -0.027339866 0.037272551 2 1: GGA C09 0 4 Ex -0.026225098 -0.102589972 0.076364874 2 1: GGA BH 0 1 Ex -0.785994404 -0.776770198 0.009224205 2 1: GGA BH 0 2 Ex -0.783073213 -0.792297417 0.009224204 2 1: GGA BH 0 3 Ex 0.001618117 0.054853184 0.053235067 2 1: GGA BH 0 4 Ex 0.000656767 -0.109987983 0.110644750 2 1: 1: iSpin dens gradDens 1: 1 0.083363325 1.002659819 0.090232260 0.687805719 1: 2 0.184753956 1.067178857 -0.359815306 0.338178942 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 -0.347230050 0.070831003 2 1: GGA PW91 0 2 Ex -0.557771408 -0.486940374 0.070831034 2 1: GGA PW91 0 3 Ex -0.109780436 -0.043736692 0.066043744 2 1: GGA PW91 0 4 Ex -0.273552008 -0.336484310 0.062932302 2 1: GGA PBE 0 1 Ex -0.622324831 -0.689098162 0.066773331 2 1: GGA PBE 0 2 Ex -0.709155656 -0.642382292 0.066773364 2 1: GGA PBE 0 3 Ex -0.033877975 0.024033291 0.057911266 2 1: GGA PBE 0 4 Ex -0.084417484 -0.141999267 0.057581783 2 1: GGA RPBE 0 1 Ex -0.604261697 -0.702161719 0.097900022 2 1: GGA RPBE 0 2 Ex -0.658774971 -0.560874914 0.097900057 2 1: GGA RPBE 0 3 Ex -0.021268937 0.063871572 0.085140508 2 1: GGA RPBE 0 4 Ex -0.052998153 -0.137515705 0.084517552 2 1: GGA revPBE 0 1 Ex -0.695936158 -0.792265285 0.096329127 2 1: GGA revPBE 0 2 Ex -0.690862326 -0.594533165 0.096329162 2 1: GGA revPBE 0 3 Ex 0.001979610 0.085373635 0.083394025 2 1: GGA revPBE 0 4 Ex 0.004932812 -0.078075949 0.083008760 2 1: GGA LYP 0 1 Ex -0.611305494 -0.740243758 0.128938265 2 1: GGA LYP 0 1 Ec -0.404519962 -0.543493572 0.138973610 2 1: GGA LYP 0 2 Ex -0.657800833 -0.528862568 0.128938265 2 1: GGA LYP 0 2 Ec -0.172763747 -0.033790137 0.138973610 2 1: GGA LYP 0 3 Ex -0.018140654 -0.034051660 0.015911006 2 1: GGA LYP 0 3 Ec 0.090422166 0.304960954 0.214538788 2 1: GGA LYP 0 4 Ex -0.045203066 -0.105129934 0.059926867 2 1: GGA LYP 0 4 Ec 0.225314873 0.067744002 0.157570871 2 1: GGA WC 0 1 Ex -0.603434592 -0.671343346 0.067908754 2 1: GGA WC 0 2 Ex -0.664515247 -0.596606462 0.067908785 2 1: GGA WC 0 3 Ex -0.023831271 0.034982032 0.058813303 2 1: GGA WC 0 4 Ex -0.059383003 -0.117910727 0.058527724 2 1: GGA PBEJsJrLO 0 1 Ex -0.609783107 -0.673020089 0.063236983 2 1: GGA PBEJsJrLO 0 2 Ex -0.679854633 -0.616617619 0.063237014 2 1: GGA PBEJsJrLO 0 3 Ex -0.027339155 0.027425762 0.054764918 2 1: GGA PBEJsJrLO 0 4 Ex -0.068123985 -0.122624369 0.054500384 2 1: GGA PBEJsJrHEG 0 1 Ex -0.567880959 -0.613735514 0.045854556 2 1: GGA PBEJsJrHEG 0 2 Ex -0.690869749 -0.645015164 0.045854585 2 1: GGA PBEJsJrHEG 0 3 Ex -0.047985392 -0.008216114 0.039769278 2 1: GGA PBEJsJrHEG 0 4 Ex -0.119570488 -0.159113221 0.039542733 2 1: GGA PBEGcGxLO 0 1 Ex -0.605405491 -0.665104568 0.059699077 2 1: GGA PBEGcGxLO 0 2 Ex -0.670457583 -0.610758475 0.059699107 2 1: GGA PBEGcGxLO 0 3 Ex -0.025380769 0.026256150 0.051636920 2 1: GGA PBEGcGxLO 0 4 Ex -0.063244059 -0.114669608 0.051425548 2 1: GGA PBEGcGxHEG 0 1 Ex -0.562619565 -0.607519438 0.044899873 2 1: GGA PBEGcGxHEG 0 2 Ex -0.678408306 -0.633508405 0.044899902 2 1: GGA PBEGcGxHEG 0 3 Ex -0.045176216 -0.006261541 0.038914675 2 1: GGA PBEGcGxHEG 0 4 Ex -0.112570554 -0.151279335 0.038708781 2 1: GGA PBESOL 0 1 Ex -0.605405491 -0.665104568 0.059699077 2 1: GGA PBESOL 0 2 Ex -0.670457583 -0.610758475 0.059699107 2 1: GGA PBESOL 0 3 Ex -0.025380769 0.026256150 0.051636920 2 1: GGA PBESOL 0 4 Ex -0.063244059 -0.114669608 0.051425548 2 1: GGA AM05 0 1 Ex -0.532952749 -0.610444210 0.077491461 2 1: GGA AM05 0 1 Ec -0.103322251 -0.102927903 0.000394347 2 1: GGA AM05 0 2 Ex -0.609191692 -0.531700230 0.077491461 2 1: GGA AM05 0 2 Ec -0.061824918 -0.062219265 0.000394347 2 1: GGA AM05 0 3 Ex -0.029745439 -0.044520706 0.014775267 2 1: GGA AM05 0 3 Ec 0.016190628 0.015848324 0.000342305 2 1: GGA AM05 0 4 Ex -0.074119987 -0.108043856 0.033923869 2 1: GGA AM05 0 4 Ec 0.040343972 0.040684154 0.000340182 2 1: GGA PW86 0 1 Ex -0.706663540 -0.778927683 0.072264143 2 1: GGA PW86 0 2 Ex -0.766255431 -0.693991253 0.072264178 2 1: GGA PW86 0 3 Ex -0.023250414 0.008601684 0.031852098 2 1: GGA PW86 0 4 Ex -0.057935617 -0.107883367 0.049947750 2 1: GGA B88 0 1 Ex -0.611187717 -0.740105956 0.128918239 2 1: GGA B88 0 2 Ex -0.657594234 -0.528675957 0.128918277 2 1: GGA B88 0 3 Ex -0.018105999 -0.034029912 0.015923913 2 1: GGA B88 0 4 Ex -0.045116712 -0.105028116 0.059911404 2 1: GGA C09 0 1 Ex -0.683027079 -0.761684208 0.078657129 2 1: GGA C09 0 2 Ex -0.646519460 -0.567862300 0.078657160 2 1: GGA C09 0 3 Ex 0.014243838 0.082649420 0.068405582 2 1: GGA C09 0 4 Ex 0.035492941 -0.032412132 0.067905073 2 1: GGA BH 0 1 Ex -0.629508995 -0.742361164 0.112852169 2 1: GGA BH 0 2 Ex -0.575659151 -0.462806949 0.112852202 2 1: GGA BH 0 3 Ex 0.021010093 0.088872585 0.067862493 2 1: GGA BH 0 4 Ex 0.052353163 -0.032920267 0.085273430 2 1: 1: iSpin dens gradDens 1: 1 0.011823007 0.127642734 0.171177896 -0.100851757 1: 2 0.027207346 0.041356974 0.048934977 -0.051651237 1: 3 -0.014279048 -0.184287664 0.056846076 0.057698292 1: 4 0.010158580 0.043352789 -0.160691567 -0.112515261 1: GGA PW91 0 1 Ex -0.150869746 -0.198919837 0.048050091 2 1: GGA PW91 0 2 Ex -0.353640786 -0.305590701 0.048050085 2 1: GGA PW91 0 3 Ex 0.188202919 0.207301600 0.019098681 2 1: GGA PW91 0 4 Ex -0.133893687 -0.143432257 0.009538569 2 1: GGA PBE 0 1 Ex -0.264156111 -0.309026617 0.044870506 2 1: GGA PBE 0 2 Ex -0.401821508 -0.356951006 0.044870502 2 1: GGA PBE 0 3 Ex 0.127774803 0.145609670 0.017834867 2 1: GGA PBE 0 4 Ex -0.090903157 -0.099810551 0.008907394 2 1: GGA RPBE 0 1 Ex -0.277886236 -0.329504450 0.051618214 2 1: GGA RPBE 0 2 Ex -0.434005865 -0.382387657 0.051618208 2 1: GGA RPBE 0 3 Ex 0.144903187 0.165420094 0.020516907 2 1: GGA RPBE 0 4 Ex -0.103088848 -0.113335751 0.010246904 2 1: GGA revPBE 0 1 Ex -0.281578849 -0.359719952 0.078141103 2 1: GGA revPBE 0 2 Ex -0.389520430 -0.311379333 0.078141098 2 1: GGA revPBE 0 3 Ex 0.100186499 0.131245571 0.031059072 2 1: GGA revPBE 0 4 Ex -0.071275939 -0.086787996 0.015512057 2 1: GGA LYP 0 1 Ex -1.306499143 -1.420595160 0.114096017 2 1: GGA LYP 0 1 Ec -0.901594362 -1.245351146 0.343756784 2 1: GGA LYP 0 2 Ex -0.773404752 -0.659308735 0.114096017 2 1: GGA LYP 0 2 Ec -0.602245670 -0.258488886 0.343756784 2 1: GGA LYP 0 3 Ex -0.494794132 -0.468997738 0.025796394 2 1: GGA LYP 0 3 Ec -0.277841933 -0.062025326 0.215816607 2 1: GGA LYP 0 4 Ex 0.352012663 0.301877907 0.050134756 2 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 1: GGA WC 0 3 Ex 0.106240018 0.129007014 0.022766997 2 1: GGA WC 0 4 Ex -0.075582609 -0.086953294 0.011370685 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 1: GGA PBEJsJrLO 0 3 Ex 0.110988760 0.130809854 0.019821094 2 1: GGA PBEJsJrLO 0 4 Ex -0.078961019 -0.088860410 0.009899390 2 1: GGA PBEJsJrHEG 0 1 Ex -0.240479693 -0.271239648 0.030759955 2 1: GGA PBEJsJrHEG 0 2 Ex -0.376688399 -0.345928448 0.030759951 2 1: GGA PBEJsJrHEG 0 3 Ex 0.126422768 0.138649055 0.012226287 2 1: GGA PBEJsJrHEG 0 4 Ex -0.089941275 -0.096047535 0.006106260 2 1: GGA PBEGcGxLO 0 1 Ex -0.244204747 -0.295594030 0.051389283 2 1: GGA PBEGcGxLO 0 2 Ex -0.355053692 -0.303664414 0.051389278 2 1: GGA PBEGcGxLO 0 3 Ex 0.102884984 0.123310897 0.020425913 2 1: GGA PBEGcGxLO 0 4 Ex -0.073195729 -0.083397189 0.010201460 2 1: GGA PBEGcGxHEG 0 1 Ex -0.235287479 -0.268147844 0.032860365 2 1: GGA PBEGcGxHEG 0 2 Ex -0.364517345 -0.331656984 0.032860361 2 1: GGA PBEGcGxHEG 0 3 Ex 0.119945324 0.133006470 0.013061146 2 1: GGA PBEGcGxHEG 0 4 Ex 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GGA revPBE 0 2 Ex -1.074332967 -0.880751405 0.193581562 2 1: GGA revPBE 0 3 Ex 0.042969319 0.252885459 0.209916140 2 1: GGA revPBE 0 4 Ex -0.127331614 0.111163249 0.238494863 2 1: GGA LYP 0 1 Ex -0.863844163 -1.119812533 0.255968370 2 1: GGA LYP 0 1 Ec -0.253251010 -0.231216198 0.022034813 2 1: GGA LYP 0 2 Ex -0.996344646 -0.740376275 0.255968370 2 1: GGA LYP 0 2 Ec -0.113415508 -0.135450320 0.022034813 2 1: GGA LYP 0 3 Ex -0.025813870 0.219727558 0.245541428 2 1: GGA LYP 0 3 Ec 0.027242885 0.027406344 0.000163458 2 1: GGA LYP 0 4 Ex 0.076494619 0.381043371 0.304548752 2 1: GGA LYP 0 4 Ec -0.080729242 -0.099757929 0.019028687 2 1: GGA WC 0 1 Ex -1.209330901 -1.335326543 0.125995642 2 1: GGA WC 0 2 Ex -1.093288063 -0.967292439 0.125995624 2 1: GGA WC 0 3 Ex 0.022607576 0.161364832 0.138757256 2 1: GGA WC 0 4 Ex -0.066993361 0.088953594 0.155946955 2 1: GGA PBEJsJrLO 0 1 Ex -1.159767487 -1.289668575 0.129901088 2 1: GGA PBEJsJrLO 0 2 Ex -1.069583293 -0.939682222 0.129901071 2 1: GGA PBEJsJrLO 0 3 Ex 0.017569770 0.159205929 0.141636159 2 1: GGA PBEJsJrLO 0 4 Ex -0.052064758 0.108236129 0.160300887 2 1: GGA PBEJsJrHEG 0 1 Ex -1.113167924 -1.224855984 0.111688060 2 1: GGA PBEJsJrHEG 0 2 Ex -1.066066288 -0.954378244 0.111688043 2 1: GGA PBEJsJrHEG 0 3 Ex 0.009176386 0.134033208 0.124856822 2 1: GGA PBEJsJrHEG 0 4 Ex -0.027192518 0.111672129 0.138864647 2 1: GGA PBEGcGxLO 0 1 Ex -1.123170186 -1.238615490 0.115445304 2 1: GGA PBEGcGxLO 0 2 Ex -1.068682229 -0.953236942 0.115445287 2 1: GGA PBEGcGxLO 0 3 Ex 0.010615396 0.134214133 0.123598738 2 1: GGA PBEGcGxLO 0 4 Ex -0.031456757 0.110237398 0.141694156 2 1: GGA PBEGcGxHEG 0 1 Ex -1.092090300 -1.190926644 0.098836344 2 1: GGA PBEGcGxHEG 0 2 Ex -1.066666302 -0.967829975 0.098836327 2 1: GGA PBEGcGxHEG 0 3 Ex 0.004953127 0.114105059 0.109151931 2 1: GGA PBEGcGxHEG 0 4 Ex -0.014677675 0.107756623 0.122434298 2 1: GGA PBESOL 0 1 Ex -1.123170186 -1.238615490 0.115445304 2 1: GGA PBESOL 0 2 Ex -1.068682229 -0.953236942 0.115445287 2 1: GGA PBESOL 0 3 Ex 0.010615396 0.134214133 0.123598738 2 1: GGA PBESOL 0 4 Ex -0.031456757 0.110237398 0.141694156 2 1: GGA AM05 0 1 Ex -0.774045081 -0.885458176 0.111413095 2 1: GGA AM05 0 1 Ec -0.082798175 -0.076898025 0.005900150 2 1: GGA AM05 0 2 Ex -1.008120349 -0.896707254 0.111413095 2 1: GGA AM05 0 2 Ec -0.068136885 -0.074037035 0.005900150 2 1: GGA AM05 0 3 Ex -0.045602766 0.048900587 0.094503353 2 1: GGA AM05 0 3 Ec 0.002856326 -0.003975501 0.006831827 2 1: GGA AM05 0 4 Ex 0.135135345 0.263518777 0.128383432 2 1: GGA AM05 0 4 Ec -0.008464194 -0.015879647 0.007415453 2 1: GGA PW86 0 1 Ex -1.066620130 -1.301644842 0.235024712 2 1: GGA PW86 0 2 Ex -1.009992828 -0.774968135 0.235024693 2 1: GGA PW86 0 3 Ex 0.011032185 0.261669442 0.250637257 2 1: GGA PW86 0 4 Ex -0.032691835 0.255437723 0.288129558 2 1: GGA B88 0 1 Ex -0.863366688 -1.119247290 0.255880602 2 1: GGA B88 0 2 Ex -0.995680782 -0.739800201 0.255880581 2 1: GGA B88 0 3 Ex -0.025777557 0.219674428 0.245451985 2 1: GGA B88 0 4 Ex 0.076387013 0.380829555 0.304442542 2 1: GGA C09 0 1 Ex -1.136146237 -1.267915024 0.131768787 2 1: GGA C09 0 2 Ex -1.076184699 -0.944415931 0.131768768 2 1: GGA C09 0 3 Ex 0.011681764 0.139540504 0.127858740 2 1: GGA C09 0 4 Ex -0.034616742 0.122652384 0.157269127 2 1: GGA BH 0 1 Ex -1.105824030 -1.234500979 0.128676949 2 1: GGA BH 0 2 Ex -1.066137590 -0.937460660 0.128676930 2 1: GGA BH 0 3 Ex 0.007731750 0.135726757 0.127995007 2 1: GGA BH 0 4 Ex -0.022911608 0.131725736 0.154637343 2 1: 1: iSpin dens gradDens 1: 1 0.522511616 3.348348518 -1.948929348 7.294121393 1: 2 1.451975989 -8.618380343 1.281225316 -5.697190800 1: 3 0.168447636 7.968499108 -1.664332427 9.140289364 1: 4 -0.121690566 -8.299458434 -5.002063811 1.266576824 1: GGA PW91 0 1 Ex -0.931258491 -0.804007936 0.127250555 2 1: GGA PW91 0 2 Ex -1.362544995 -1.489795538 0.127250542 2 1: GGA PW91 0 3 Ex -0.078162428 0.331774953 0.409937381 2 1: GGA PW91 0 4 Ex 0.056466391 0.137948100 0.081481709 2 1: GGA PBE 0 1 Ex -0.953146068 -0.836211977 0.116934091 2 1: GGA PBE 0 2 Ex -1.364472804 -1.481406882 0.116934079 2 1: GGA PBE 0 3 Ex -0.074545102 0.304705127 0.379250228 2 1: GGA PBE 0 4 Ex 0.053853149 0.132255034 0.078401885 2 1: GGA RPBE 0 1 Ex -0.864712493 -0.734551468 0.130161025 2 1: GGA RPBE 0 2 Ex -1.358884455 -1.489045467 0.130161012 2 1: GGA RPBE 0 3 Ex -0.089559214 0.374736147 0.464295361 2 1: GGA RPBE 0 4 Ex 0.064699700 0.210310325 0.145610625 2 1: GGA revPBE 0 1 Ex -0.863768077 -0.735477071 0.128291006 2 1: GGA revPBE 0 2 Ex -1.359294926 -1.487585919 0.128290993 2 1: GGA revPBE 0 3 Ex -0.089804761 0.364926893 0.454731654 2 1: GGA revPBE 0 4 Ex 0.064877089 0.204390893 0.139513804 2 1: GGA LYP 0 1 Ex -0.876247866 -0.743890909 0.132356956 2 1: GGA LYP 0 1 Ec -0.121279256 -0.102906103 0.018373153 2 1: GGA LYP 0 2 Ex -1.361264612 -1.493621569 0.132356957 2 1: GGA LYP 0 2 Ec -0.035817283 -0.054190436 0.018373153 2 1: GGA LYP 0 3 Ex -0.087900006 0.358734346 0.446634352 2 1: GGA LYP 0 3 Ec 0.015488348 0.037360693 0.021872345 2 1: GGA LYP 0 4 Ex 0.063501049 0.176278588 0.112777540 2 1: GGA LYP 0 4 Ec -0.011189150 -0.051079264 0.039890115 2 1: GGA WC 0 1 Ex -0.897072577 -0.788700804 0.108371773 2 1: GGA WC 0 2 Ex -1.365979036 -1.474350797 0.108371761 2 1: GGA WC 0 3 Ex -0.084980325 0.271980367 0.356960691 2 1: GGA WC 0 4 Ex 0.061391802 0.141639063 0.080247262 2 1: GGA PBEJsJrLO 0 1 Ex -0.912659716 -0.825376843 0.087282872 2 1: GGA PBEJsJrLO 0 2 Ex -1.371888845 -1.459171705 0.087282860 2 1: GGA PBEJsJrLO 0 3 Ex -0.083226494 0.222363018 0.305589512 2 1: GGA PBEJsJrLO 0 4 Ex 0.060124793 0.149800368 0.089675575 2 1: GGA PBEJsJrHEG 0 1 Ex -0.964864754 -0.884324303 0.080540451 2 1: GGA PBEJsJrHEG 0 2 Ex -1.374943001 -1.455483439 0.080540438 2 1: GGA PBEJsJrHEG 0 3 Ex -0.074318837 0.186662801 0.260981637 2 1: GGA PBEJsJrHEG 0 4 Ex 0.053689690 0.107366826 0.053677137 2 1: GGA PBEGcGxLO 0 1 Ex -0.901149359 -0.827021353 0.074128006 2 1: GGA PBEGcGxLO 0 2 Ex -1.375318817 -1.449446810 0.074127993 2 1: GGA PBEGcGxLO 0 3 Ex -0.085934143 0.183401279 0.269335421 2 1: GGA PBEGcGxLO 0 4 Ex 0.062080862 0.151810464 0.089729602 2 1: GGA PBEGcGxHEG 0 1 Ex -0.947280285 -0.878595496 0.068684789 2 1: GGA PBEGcGxHEG 0 2 Ex -1.377877435 -1.446562212 0.068684777 2 1: GGA PBEGcGxHEG 0 3 Ex -0.078037495 0.154342658 0.232380154 2 1: GGA PBEGcGxHEG 0 4 Ex 0.056376137 0.115738635 0.059362498 2 1: GGA PBESOL 0 1 Ex -0.901149359 -0.827021353 0.074128006 2 1: GGA PBESOL 0 2 Ex -1.375318817 -1.449446810 0.074127993 2 1: GGA PBESOL 0 3 Ex -0.085934143 0.183401279 0.269335421 2 1: GGA PBESOL 0 4 Ex 0.062080862 0.151810464 0.089729602 2 1: GGA AM05 0 1 Ex -0.848553718 -0.827630908 0.020922809 2 1: GGA AM05 0 1 Ec -0.107174657 -0.116444198 0.009269541 2 1: GGA AM05 0 2 Ex -1.390522842 -1.411445652 0.020922810 2 1: GGA AM05 0 2 Ec -0.069334428 -0.060064886 0.009269541 2 1: GGA AM05 0 3 Ex -0.098221535 0.036740664 0.134962199 2 1: GGA AM05 0 3 Ec 0.006857818 -0.014586824 0.021444641 2 1: GGA AM05 0 4 Ex 0.070957566 0.177872677 0.106915111 2 1: GGA AM05 0 4 Ec -0.004954250 0.000761518 0.005715768 2 1: GGA PW86 0 1 Ex -1.003132451 -0.875517937 0.127614515 2 1: GGA PW86 0 2 Ex -1.351446158 -1.479060661 0.127614502 2 1: GGA PW86 0 3 Ex -0.063125196 0.330727831 0.393853027 2 1: GGA PW86 0 4 Ex 0.045603138 0.103430466 0.057827328 2 1: GGA B88 0 1 Ex -0.875703545 -0.743426937 0.132276608 2 1: GGA B88 0 2 Ex -1.359816324 -1.492092920 0.132276596 2 1: GGA B88 0 3 Ex -0.087736179 0.358671112 0.446407291 2 1: GGA B88 0 4 Ex 0.063382696 0.176152791 0.112770095 2 1: GGA C09 0 1 Ex -0.808993768 -0.742571384 0.066422383 2 1: GGA C09 0 2 Ex -1.375345706 -1.441768076 0.066422371 2 1: GGA C09 0 3 Ex -0.102640454 0.178280710 0.280921164 2 1: GGA C09 0 4 Ex 0.074149897 0.209344334 0.135194437 2 1: GGA BH 0 1 Ex -0.718784573 -0.643378841 0.075405732 2 1: GGA BH 0 2 Ex -1.370662366 -1.446068086 0.075405720 2 1: GGA BH 0 3 Ex -0.118140379 0.223528846 0.341669224 2 1: GGA BH 0 4 Ex 0.085347411 0.270323979 0.184976568 2 1: 1: iSpin dens gradDens 1: 1 0.036487630 0.366673642 0.275484249 0.057500763 1: 2 0.045163246 -0.392901074 0.379663696 0.072582468 1: 3 -0.010202296 0.055585690 0.082666738 0.396233963 1: 4 -0.006548443 0.325943013 -0.364291968 -0.266720325 1: GGA PW91 0 1 Ex -0.883408966 -1.010839277 0.127430311 2 1: GGA PW91 0 2 Ex -0.818971287 -0.691540979 0.127430308 2 1: GGA PW91 0 3 Ex -0.075777018 -0.139442947 0.063665929 2 1: GGA PW91 0 4 Ex -0.048638216 0.134963727 0.183601943 2 1: GGA PBE 0 1 Ex -0.624497347 -0.564143567 0.060353780 2 1: GGA PBE 0 2 Ex -0.634058624 -0.694412405 0.060353781 2 1: GGA PBE 0 3 Ex 0.011243810 -0.057760031 0.069003841 2 1: GGA PBE 0 4 Ex 0.007216949 0.074743622 0.067526673 2 1: GGA RPBE 0 1 Ex -0.710782881 -0.686404091 0.024378790 2 1: GGA RPBE 0 2 Ex -0.742907104 -0.767285895 0.024378792 2 1: GGA RPBE 0 3 Ex 0.037777241 0.000677410 0.037099831 2 1: GGA RPBE 0 4 Ex 0.024247690 0.065899270 0.041651580 2 1: GGA revPBE 0 1 Ex -0.682628221 -0.562562240 0.120065980 2 1: GGA revPBE 0 2 Ex -0.663680060 -0.783746041 0.120065981 2 1: GGA revPBE 0 3 Ex -0.022282540 -0.154420728 0.132138188 2 1: GGA revPBE 0 4 Ex -0.014302265 0.112031558 0.126333823 2 1: GGA LYP 0 1 Ex -0.417011701 -0.050161240 0.366850461 2 1: GGA LYP 0 1 Ec -0.186402991 -0.201023201 0.014620209 2 1: GGA LYP 0 2 Ex -0.427774830 -0.794625291 0.366850461 2 1: GGA LYP 0 2 Ec -0.189854800 -0.175234590 0.014620209 2 1: GGA LYP 0 3 Ex 0.012657157 -0.201427472 0.214084628 2 1: GGA LYP 0 3 Ec 0.004059236 -0.288680487 0.292739723 2 1: GGA LYP 0 4 Ex 0.008124119 0.098653725 0.090529606 2 1: GGA LYP 0 4 Ec 0.002605460 0.468370682 0.465765222 2 1: GGA WC 0 1 Ex -0.610625431 -0.540613515 0.070011916 2 1: GGA WC 0 2 Ex -0.610507917 -0.680519834 0.070011917 2 1: GGA WC 0 3 Ex -0.000138193 -0.083477500 0.083339307 2 1: GGA WC 0 4 Ex -0.000088701 0.083374513 0.083463214 2 1: GGA PBEJsJrLO 0 1 Ex -0.591288759 -0.516311251 0.074977509 2 6: 2 2.400 0.015452834 -0.744951774 -0.744951773 -0.000000000 6: 2 2.600 0.013637077 -0.718168689 -0.718168693 0.000000004 6: 2 2.800 0.011914930 -0.690336837 -0.690336838 0.000000001 6: 2 3.000 0.010306678 -0.661632866 -0.661632868 0.000000001 1: GGA PBEJsJrLO 0 2 Ex -0.591474279 -0.666451788 0.074977509 2 1: GGA PBEJsJrLO 0 3 Ex 0.000218166 -0.082854916 0.083073082 2 1: GGA PBEJsJrLO 0 4 Ex 0.000140032 0.079899176 0.079759144 2 1: GGA PBEJsJrHEG 0 1 Ex -0.556509652 -0.515181547 0.041328105 2 1: GGA PBEJsJrHEG 0 2 Ex -0.572814122 -0.614142228 0.041328106 2 1: GGA PBEJsJrHEG 0 3 Ex 0.019173628 -0.028091408 0.047265037 2 1: GGA PBEJsJrHEG 0 4 Ex 0.012306780 0.058567939 0.046261159 2 1: GGA PBEGcGxLO 0 1 Ex -0.571090556 -0.488252411 0.082838145 2 1: GGA PBEGcGxLO 0 2 Ex -0.566858785 -0.649696930 0.082838145 2 1: GGA PBEGcGxLO 0 3 Ex -0.004976451 -0.094731747 0.089755296 2 1: GGA PBEGcGxLO 0 4 Ex -0.003194184 0.081768639 0.084962823 2 1: GGA PBEGcGxHEG 0 1 Ex -0.544495908 -0.497698120 0.046797788 2 1: GGA PBEGcGxHEG 0 2 Ex -0.557184824 -0.603982613 0.046797788 2 1: GGA PBEGcGxHEG 0 3 Ex 0.014921832 -0.037761055 0.052682887 2 1: GGA PBEGcGxHEG 0 4 Ex 0.009577723 0.060656529 0.051078806 2 1: GGA PBESOL 0 1 Ex -0.571090556 -0.488252411 0.082838145 2 1: GGA PBESOL 0 2 Ex -0.566858785 -0.649696930 0.082838145 2 1: GGA PBESOL 0 3 Ex -0.004976451 -0.094731747 0.089755296 2 1: GGA PBESOL 0 4 Ex -0.003194184 0.081768639 0.084962823 2 1: GGA AM05 0 1 Ex -0.355517532 -0.109456574 0.246060958 2 1: GGA AM05 0 1 Ec -0.052709324 -0.053005160 0.000295837 2 1: GGA AM05 0 2 Ex -0.370018450 -0.616079409 0.246060958 2 1: GGA AM05 0 2 Ec -0.046623830 -0.046327993 0.000295837 2 1: GGA AM05 0 3 Ex 0.017052699 -0.124892826 0.141945525 2 1: GGA AM05 0 3 Ec -0.007156381 -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 -0.380577607 0.160936169 2 1: GGA PW86 0 2 Ex -0.557135520 -0.718071688 0.160936169 2 1: GGA PW86 0 3 Ex 0.018370760 -0.091127441 0.109498201 2 1: GGA PW86 0 4 Ex 0.011791451 0.075779636 0.063988185 2 1: GGA B88 0 1 Ex -0.416960685 -0.050133498 0.366827187 2 1: GGA B88 0 2 Ex -0.427716008 -0.794543192 0.366827184 2 1: GGA B88 0 3 Ex 0.012647977 -0.201418423 0.214066400 2 1: GGA B88 0 4 Ex 0.008118227 0.098634872 0.090516645 2 1: GGA C09 0 1 Ex -0.640060181 -0.459500686 0.180559495 2 1: GGA C09 0 2 Ex -0.533342554 -0.713902049 0.180559495 2 1: GGA C09 0 3 Ex -0.125497127 -0.366626590 0.241129464 2 1: GGA C09 0 4 Ex -0.080551551 0.175515712 0.256067263 2 1: GGA BH 0 1 Ex -0.555708994 -0.398736271 0.156972723 2 1: GGA BH 0 2 Ex -0.570991317 -0.727964040 0.156972722 2 1: GGA BH 0 3 Ex 0.017971611 -0.091229044 0.109200654 2 1: GGA BH 0 4 Ex 0.011535253 0.077685325 0.066150072 2 1: 1: iSpin dens gradDens 1: 1 0.114809906 -0.076526103 0.411883642 -0.326220189 1: 2 0.076158073 -0.908755803 0.428484625 0.287613434 1: 3 0.007400638 -0.003694432 0.557169312 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0.054422899 -0.080242561 0.134665461 2 1: GGA PBEJsJrHEG 0 1 Ex -0.785106635 -1.035767783 0.250661147 2 1: GGA PBEJsJrHEG 0 2 Ex -0.764048640 -0.513387477 0.250661163 2 1: GGA PBEJsJrHEG 0 3 Ex -0.013500530 -0.152641717 0.139141188 2 1: GGA PBEJsJrHEG 0 4 Ex 0.045079306 -0.055137184 0.100216490 2 1: GGA PBEGcGxLO 0 1 Ex -0.749931807 -1.032603351 0.282671544 2 6: 2 10.800 0.000000015 -0.010928714 -0.010928690 -0.000000024 1: GGA PBEGcGxLO 0 2 Ex -0.719660210 -0.436988650 0.282671560 2 1: GGA PBEGcGxLO 0 3 Ex -0.019407479 -0.219401610 0.199994132 2 1: GGA PBEGcGxLO 0 4 Ex 0.064803061 -0.061114454 0.125917515 2 1: GGA PBEGcGxHEG 0 1 Ex -0.777707312 -1.009837192 0.232129880 2 1: GGA PBEGcGxHEG 0 2 Ex -0.752391046 -0.520261151 0.232129895 2 1: GGA PBEGcGxHEG 0 3 Ex -0.016230557 -0.157820345 0.141589788 2 1: GGA PBEGcGxHEG 0 4 Ex 0.054195076 -0.042426455 0.096621531 2 1: GGA PBESOL 0 1 Ex -0.749931807 -1.032603351 0.282671544 2 7: 2 3.000 0.010306678 -0.640127830 -0.640127826 -0.000000003 1: GGA PBESOL 0 2 Ex -0.719660210 -0.436988650 0.282671560 2 1: GGA PBESOL 0 3 Ex -0.019407479 -0.219401610 0.199994132 2 1: GGA PBESOL 0 4 Ex 0.064803061 -0.061114454 0.125917515 2 1: GGA AM05 0 1 Ex -0.724512780 -0.927869133 0.203356353 2 1: GGA AM05 0 1 Ec -0.065999373 -0.059829578 0.006169795 2 1: GGA AM05 0 2 Ex -0.680004654 -0.476648301 0.203356353 2 1: GGA AM05 0 2 Ec -0.069949230 -0.076119025 0.006169795 2 1: GGA AM05 0 3 Ex -0.028534686 -0.222758265 0.194223579 2 1: GGA AM05 0 3 Ec 0.002532300 0.003773967 0.001241667 2 1: GGA AM05 0 4 Ex 0.095279507 -0.010384494 0.105664001 2 1: GGA AM05 0 4 Ec -0.008455544 -0.006642630 0.001812914 2 1: GGA PW86 0 1 Ex -0.798312596 -1.159157670 0.360845074 2 1: GGA PW86 0 2 Ex -0.783051778 -0.422206686 0.360845092 2 1: GGA PW86 0 3 Ex -0.009783890 -0.203037965 0.193254075 2 1: GGA PW86 0 4 Ex 0.032669162 -0.109488500 0.142157662 2 1: GGA B88 0 1 Ex -0.730432274 -1.143788660 0.413356387 2 1: GGA B88 0 2 Ex -0.695731368 -0.282374964 0.413356404 2 1: GGA B88 0 3 Ex -0.022247160 -0.332945973 0.310698812 2 1: GGA B88 0 4 Ex 0.074284977 -0.115310364 0.189595341 2 1: GGA C09 0 1 Ex -0.700381174 -1.015288351 0.314907177 2 1: GGA C09 0 2 Ex -0.649691629 -0.334784436 0.314907193 2 1: GGA C09 0 3 Ex -0.032497666 -0.331439322 0.298941656 2 1: GGA C09 0 4 Ex 0.108512203 -0.054567661 0.163079864 2 1: GGA BH 0 1 Ex -0.663295800 -1.037195567 0.373899767 2 6: 2 11.000 0.000000008 -0.009107337 -0.009107277 -0.000000060 1: GGA BH 0 2 Ex -0.601450911 -0.227551127 0.373899784 2 1: GGA BH 0 3 Ex -0.039649489 -0.428075572 0.388426082 2 1: GGA BH 0 4 Ex 0.132392689 -0.071264997 0.203657686 2 1: 1: iSpin dens gradDens 1: 1 0.143587779 -0.817255502 -0.198622860 0.924354616 1: 2 0.161562054 0.253671552 -1.462384510 1.452352356 1: 3 -0.120548433 0.070981119 1.166405009 0.980036192 1: 4 -0.012081919 -0.206745196 -0.271358202 0.001587668 1: GGA PW91 0 1 Ex -0.403705730 -0.339843836 0.063861895 2 1: GGA PW91 0 2 Ex -0.449937796 -0.513799678 0.063861882 2 1: GGA PW91 0 3 Ex 0.310065530 0.310371108 0.000305578 2 1: GGA PW91 0 4 Ex 0.031076196 -0.019476445 0.050552641 2 1: GGA PBE 0 1 Ex -0.720046901 -0.657737940 0.062308961 2 1: GGA PBE 0 2 Ex -0.723317623 -0.785626572 0.062308949 2 1: GGA PBE 0 3 Ex 0.021935815 0.022326009 0.000390194 2 1: GGA PBE 0 4 Ex 0.002198508 -0.048043268 0.050241776 2 1: GGA RPBE 0 1 Ex -0.688420556 -0.601040108 0.087380448 2 1: GGA RPBE 0 2 Ex -0.685974106 -0.773354540 0.087380435 2 1: GGA RPBE 0 3 Ex -0.016407655 -0.015865025 0.000542630 2 1: GGA RPBE 0 4 Ex -0.001644451 -0.072056598 0.070412147 2 1: GGA revPBE 0 1 Ex -0.780533852 -0.697925051 0.082608802 2 7: 2 3.200 0.008826792 -0.608140908 -0.608140904 -0.000000003 1: GGA revPBE 0 2 Ex -0.766904457 -0.849513245 0.082608788 2 1: GGA revPBE 0 3 Ex -0.091408544 -0.090887766 0.000520777 2 1: GGA revPBE 0 4 Ex -0.009161385 -0.075806110 0.066644725 2 1: GGA LYP 0 1 Ex -0.714189180 -0.659700194 0.054488986 2 1: GGA LYP 0 1 Ec -0.745679568 -0.628876485 0.116803083 2 1: GGA LYP 0 2 Ex -0.713901997 -0.768390983 0.054488986 2 1: GGA LYP 0 2 Ec -0.681796910 -0.798599993 0.116803083 2 1: GGA LYP 0 3 Ex -0.001926054 0.000960080 0.002886134 2 1: GGA LYP 0 3 Ec -0.428443114 -0.431350496 0.002907383 2 1: GGA LYP 0 4 Ex -0.000193038 -0.069521345 0.069328307 2 1: GGA LYP 0 4 Ec -0.042940542 -0.100815865 0.057875322 2 6: 2 11.200 0.000000005 -0.007563161 -0.007563174 0.000000013 1: GGA WC 0 1 Ex -0.717043749 -0.664913871 0.052129878 2 1: GGA WC 0 2 Ex -0.720211114 -0.772340980 0.052129866 2 1: GGA WC 0 3 Ex 0.021242634 0.021571353 0.000328719 2 1: GGA WC 0 4 Ex 0.002129035 -0.039927650 0.042056685 2 1: GGA PBEJsJrLO 0 1 Ex -0.711123760 -0.656238364 0.054885397 2 1: GGA PBEJsJrLO 0 2 Ex -0.713264809 -0.768150194 0.054885384 2 1: GGA PBEJsJrLO 0 3 Ex 0.014359416 0.014704960 0.000345544 2 1: GGA PBEJsJrLO 0 4 Ex 0.001439167 -0.042835084 0.044274251 2 1: GGA PBEJsJrHEG 0 1 Ex -0.677035405 -0.634211012 0.042824394 2 1: GGA PBEJsJrHEG 0 2 Ex -0.688930438 -0.731754820 0.042824382 2 1: GGA PBEJsJrHEG 0 3 Ex 0.079776656 0.080044819 0.000268163 2 1: GGA PBEJsJrHEG 0 4 Ex 0.007995584 -0.026535015 0.034530599 2 1: GGA PBEGcGxLO 0 1 Ex -0.709464318 -0.659509815 0.049954503 2 1: GGA PBEGcGxLO 0 2 Ex -0.711554197 -0.761508688 0.049954491 2 1: GGA PBEGcGxLO 0 3 Ex 0.014016237 0.014332207 0.000315970 2 1: GGA PBEGcGxLO 0 4 Ex 0.001404772 -0.038906554 0.040311326 2 1: GGA PBEGcGxHEG 0 1 Ex -0.672907041 -0.632636851 0.040270190 2 1: GGA PBEGcGxHEG 0 2 Ex -0.684244082 -0.724514260 0.040270178 2 1: GGA PBEGcGxHEG 0 3 Ex 0.076034364 0.076287164 0.000252799 2 1: GGA PBEGcGxHEG 0 4 Ex 0.007620514 -0.024856845 0.032477359 2 7: 2 3.400 0.007484177 -0.575559240 -0.575559246 0.000000006 6: 2 11.400 0.000000003 -0.006258998 -0.006258965 -0.000000033 1: GGA PBESOL 0 1 Ex -0.709464318 -0.659509815 0.049954503 2 1: GGA PBESOL 0 2 Ex -0.711554197 -0.761508688 0.049954491 2 1: GGA PBESOL 0 3 Ex 0.014016237 0.014332207 0.000315970 2 1: GGA PBESOL 0 4 Ex 0.001404772 -0.038906554 0.040311326 2 1: GGA AM05 0 1 Ex -0.644397155 -0.617558801 0.026838354 2 1: GGA AM05 0 1 Ec -0.079168571 -0.079756793 0.000588222 2 1: GGA AM05 0 2 Ex -0.652291301 -0.679129655 0.026838354 2 1: GGA AM05 0 2 Ec -0.073563764 -0.072975542 0.000588222 2 1: GGA AM05 0 3 Ex 0.052943829 0.054746244 0.001802415 2 1: GGA AM05 0 3 Ec -0.037589874 -0.037593539 0.000003665 2 1: GGA AM05 0 4 Ex 0.005306274 -0.032641201 0.037947476 2 1: GGA AM05 0 4 Ec -0.003767430 -0.003293314 0.000474116 2 1: GGA PW86 0 1 Ex -0.808387054 -0.754715337 0.053671717 2 1: GGA PW86 0 2 Ex -0.805972673 -0.859644377 0.053671704 2 1: GGA PW86 0 3 Ex -0.016192579 -0.015240074 0.000952505 2 1: GGA PW86 0 4 Ex -0.001622895 -0.051050372 0.049427478 2 1: GGA B88 0 1 Ex -0.713998375 -0.659524159 0.054474215 2 1: GGA B88 0 2 Ex -0.713698711 -0.768172913 0.054474202 2 1: GGA B88 0 3 Ex -0.002009762 0.000876135 0.002885897 2 1: GGA B88 0 4 Ex -0.000201428 -0.069516467 0.069315039 2 1: GGA C09 0 1 Ex -0.785330258 -0.729031197 0.056299061 2 1: GGA C09 0 2 Ex -0.770881198 -0.827180248 0.056299050 2 1: GGA C09 0 3 Ex -0.096905803 -0.096556190 0.000349613 2 1: GGA C09 0 4 Ex -0.009712346 -0.055078755 0.045366409 2 1: GGA BH 0 1 Ex -0.735527560 -0.670819032 0.064708528 2 1: GGA BH 0 2 Ex -0.721882842 -0.786591358 0.064708516 2 1: GGA BH 0 3 Ex -0.091511306 -0.090504586 0.001006720 2 1: GGA BH 0 4 Ex -0.009171685 -0.067349831 0.058178146 2 1: 1: iSpin dens gradDens 1: 1 0.286281650 -0.072187357 -0.718784944 2.589793422 1: 2 0.309308922 -2.062705678 -1.917597497 2.199378001 1: 3 0.006072522 -1.349471578 2.787453200 -2.542064437 1: 4 -0.007665832 2.633900515 -2.895909240 -1.548457717 1: GGA PW91 0 1 Ex -1.102033100 -2.489476588 1.387443489 2 1: GGA PW91 0 2 Ex -0.969458784 0.417984703 1.387443486 2 6: 2 11.600 0.000000002 -0.005161710 -0.005161583 -0.000000127 6: avgDiffVxc, maxDiffVxc = 0.000000036 0.000000274 1: GGA PW91 0 3 Ex 0.034961174 -0.503281511 0.538242685 2 1: GGA PW91 0 4 Ex -0.044134296 1.613354161 1.657488458 2 1: GGA PBE 0 1 Ex -1.040397143 -2.499409642 1.459012499 2 1: GGA PBE 0 2 Ex -0.980374308 0.478638188 1.459012496 2 1: GGA PBE 0 3 Ex 0.015828622 -0.795967940 0.811796563 2 1: GGA PBE 0 4 Ex -0.019981741 1.528302342 1.548284082 2 1: GGA RPBE 0 1 Ex -1.196365778 -2.734500098 1.538134320 2 7: 2 3.600 0.006282640 -0.542620903 -0.542620905 0.000000002 1: GGA RPBE 0 2 Ex -1.038871592 0.499262725 1.538134317 2 1: GGA RPBE 0 3 Ex 0.041532793 -0.519438207 0.560971000 2 1: GGA RPBE 0 4 Ex -0.052430179 1.813382857 1.865813035 2 1: GGA revPBE 0 1 Ex -0.998141979 -3.573990437 2.575848458 2 1: GGA revPBE 0 2 Ex -0.904651480 1.671196976 2.575848456 2 1: GGA revPBE 0 3 Ex 0.024654380 -1.514345922 1.539000302 2 1: GGA revPBE 0 4 Ex -0.031123203 2.618526239 2.649649442 2 1: GGA LYP 0 1 Ex -0.745512341 -4.423523267 3.678010925 2 1: GGA LYP 0 1 Ec -0.194810371 0.315311267 0.510121638 2 1: GGA LYP 0 2 Ex -0.749911503 2.928099424 3.678010927 2 1: GGA LYP 0 2 Ec -0.118532943 -0.628654582 0.510121638 2 1: GGA LYP 0 3 Ex -0.001160103 -2.670384590 2.669224487 2 1: GGA LYP 0 3 Ec 0.020115121 0.637142707 0.617027586 2 1: GGA LYP 0 4 Ex 0.001464491 3.411186248 3.409721757 2 1: GGA LYP 0 4 Ec -0.025392932 -0.302785029 0.277392096 2 1: GGA WC 0 1 Ex -0.949011903 -2.786543226 1.837531322 2 1: GGA WC 0 2 Ex -0.861175119 0.976356201 1.837531320 2 1: GGA WC 0 3 Ex 0.023163439 -0.992257982 1.015421421 2 1: GGA WC 0 4 Ex -0.029241068 1.926254060 1.955495129 2 1: GGA PBEJsJrLO 0 1 Ex -0.949495843 -2.589487144 1.639991301 2 1: GGA PBEJsJrLO 0 2 Ex -0.894735445 0.745255854 1.639991299 2 1: GGA PBEJsJrLO 0 3 Ex 0.014440865 -0.954857528 0.969298393 2 1: GGA PBEJsJrLO 0 4 Ex -0.018229863 1.677108154 1.695338017 2 1: GGA PBEJsJrHEG 0 1 Ex -0.971172900 -1.971259040 1.000086140 2 1: GGA PBEJsJrHEG 0 2 Ex -0.936651165 0.063434973 1.000086138 2 1: GGA PBEJsJrHEG 0 3 Ex 0.009103727 -0.546985503 0.556089230 2 1: GGA PBEJsJrHEG 0 4 Ex -0.011492365 1.050070573 1.061562938 2 3/9 Test #6: libgridxc_test_libxc ............. Passed 0.08 sec 1: GGA PBEGcGxLO 0 1 Ex -0.902610483 -2.605605690 1.702995207 2 1: GGA PBEGcGxLO 0 2 Ex -0.854821526 0.848173679 1.702995205 2 1: GGA PBEGcGxLO 0 3 Ex 0.012602426 -1.028457731 1.041060157 2 1: GGA PBEGcGxLO 0 4 Ex -0.015909054 1.717210792 1.733119846 2 1: GGA PBEGcGxHEG 0 1 Ex -0.936724054 -2.011278780 1.074554726 2 1: GGA PBEGcGxHEG 0 2 Ex -0.903282179 0.171272545 1.074554724 2 1: GGA PBEGcGxHEG 0 3 Ex 0.008818957 -0.608519714 0.617338671 2 1: GGA PBEGcGxHEG 0 4 Ex -0.011132877 1.113758555 1.124891432 2 1: GGA PBESOL 0 1 Ex -0.902610483 -2.605605690 1.702995207 2 1: GGA PBESOL 0 2 Ex -0.854821526 0.848173679 1.702995205 2 1: GGA PBESOL 0 3 Ex 0.012602426 -1.028457731 1.041060157 2 1: GGA PBESOL 0 4 Ex -0.015909054 1.717210792 1.733119846 2 1: GGA AM05 0 1 Ex -0.665199302 -3.062201209 2.397001907 2 1: GGA AM05 0 1 Ec -0.063857721 -0.056928462 0.006929259 2 1: GGA AM05 0 2 Ex -0.682557161 1.714444747 2.397001908 2 1: GGA AM05 0 2 Ec -0.061628481 -0.068557740 0.006929259 2 1: GGA AM05 0 3 Ex -0.004577441 -1.774182241 1.769604800 2 1: GGA AM05 0 3 Ec 0.000587873 0.003793604 0.003205731 2 7: 2 3.800 0.005221523 -0.509578436 -0.509578436 -0.000000000 1: GGA AM05 0 4 Ex 0.005778471 2.204136467 2.198357995 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 1: GGA PW86 0 2 Ex -0.945733471 1.021050099 1.966783570 2 1: GGA PW86 0 3 Ex 0.003845894 -1.327218615 1.331064508 2 1: GGA PW86 0 4 Ex -0.004854981 1.894731507 1.899586487 2 1: GGA B88 0 1 Ex -0.745168927 -4.422308984 3.677140056 2 1: GGA B88 0 2 Ex -0.749558080 2.927581975 3.677140055 2 1: GGA B88 0 3 Ex -0.001157463 -2.669774149 2.668616685 2 1: GGA B88 0 4 Ex 0.001461159 3.410356317 3.408895158 2 1: GGA C09 0 1 Ex -0.644834650 -4.233523433 3.588688784 2 1: GGA C09 0 2 Ex -0.624336394 2.964352388 3.588688781 2 1: GGA C09 0 3 Ex 0.005405595 -2.534258582 2.539664177 2 1: GGA C09 0 4 Ex -0.006823917 3.371372849 3.378196766 2 1: GGA BH 0 1 Ex -0.938332010 -3.302348188 2.364016179 2 1: GGA BH 0 2 Ex -0.819800819 1.544215357 2.364016176 2 1: GGA BH 0 3 Ex 0.031257861 -1.273031931 1.304289792 2 1: GGA BH 0 4 Ex -0.039459307 2.477957264 2.517416571 2 1: 1: iSpin dens gradDens 1: 1 0.314123252 -0.186181541 -0.388126153 1.065785043 1: 2 0.075269373 0.332233948 0.664945420 1.480999946 1: 3 0.147611514 1.496084458 0.970725659 1.005706910 1: 4 0.008254080 -0.791391110 0.713776924 0.226603139 1: GGA PW91 0 1 Ex -0.671184559 -0.577949784 0.093234776 2 1: GGA PW91 0 2 Ex -0.154150782 -0.247385591 0.093234808 2 1: GGA PW91 0 3 Ex -0.319526477 -0.395101876 0.075575399 2 1: GGA PW91 0 4 Ex -0.017867151 -0.015316494 0.002550658 2 1: GGA PBE 0 1 Ex -0.730473123 -0.633370919 0.097102204 2 1: GGA PBE 0 2 Ex -0.454846906 -0.551949143 0.097102238 2 1: GGA PBE 0 3 Ex -0.170336791 -0.249047332 0.078710541 2 1: GGA PBE 0 4 Ex -0.009524823 -0.006864186 0.002660637 2 1: GGA RPBE 0 1 Ex -0.694947651 -0.573607208 0.121340443 2 1: GGA RPBE 0 2 Ex -0.446780199 -0.568120676 0.121340477 2 1: GGA RPBE 0 3 Ex -0.153367295 -0.251725214 0.098357919 2 1: GGA RPBE 0 4 Ex -0.008575930 -0.005251314 0.003324615 2 1: GGA revPBE 0 1 Ex -0.720975416 -0.605999827 0.114975589 2 1: GGA revPBE 0 2 Ex -0.523072162 -0.638047785 0.114975622 2 1: GGA revPBE 0 3 Ex -0.122304059 -0.215502682 0.093198623 2 7: 2 4.000 0.004296443 -0.476699712 -0.476699710 -0.000000003 1: GGA revPBE 0 4 Ex -0.006838949 -0.003688354 0.003150594 2 1: GGA LYP 0 1 Ex -0.854778271 -0.729358797 0.125419474 2 1: GGA LYP 0 1 Ec -0.166154741 -0.051074115 0.115080626 2 1: GGA LYP 0 2 Ex -0.987068545 -1.112488018 0.125419473 2 1: GGA LYP 0 2 Ec -0.498713144 -0.613793770 0.115080626 2 1: GGA LYP 0 3 Ex 0.081755288 -0.021407460 0.103162748 2 1: GGA LYP 0 3 Ec 0.205520838 0.113171659 0.092349179 2 1: GGA LYP 0 4 Ex 0.004571559 0.034804532 0.030232973 2 1: GGA LYP 0 4 Ec 0.011492230 -0.002067719 0.013559949 2 1: GGA WC 0 1 Ex -0.763972907 -0.695404222 0.068568685 2 1: GGA WC 0 2 Ex 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PBEGcGxHEG 0 2 Ex -0.418096195 -0.477520645 0.059424450 2 1: GGA PBEGcGxHEG 0 3 Ex -0.202525486 -0.250694613 0.048169127 2 1: GGA PBEGcGxHEG 0 4 Ex -0.011324738 -0.009696506 0.001628232 2 1: GGA PBESOL 0 1 Ex -0.743478852 -0.676046838 0.067432014 2 7: 2 4.200 0.003500077 -0.444266875 -0.444266874 -0.000000001 1: GGA PBESOL 0 2 Ex -0.457783415 -0.525215460 0.067432045 2 1: GGA PBESOL 0 3 Ex -0.176559560 -0.231219609 0.054660049 2 1: GGA PBESOL 0 4 Ex -0.009872786 -0.008024996 0.001847789 2 1: GGA AM05 0 1 Ex -0.842252402 -0.787122118 0.055130284 2 1: GGA AM05 0 1 Ec -0.064109018 -0.065394808 0.001285790 2 1: GGA AM05 0 2 Ex -0.868216805 -0.923347089 0.055130283 2 1: GGA AM05 0 2 Ec -0.159084148 -0.157798358 0.001285790 2 1: GGA AM05 0 3 Ex 0.016045981 -0.029514161 0.045560142 2 1: GGA AM05 0 3 Ec 0.058694558 0.059736812 0.001042255 2 1: GGA AM05 0 4 Ex 0.000897253 0.017999157 0.017101905 2 1: GGA AM05 0 4 Ec 0.003282058 0.003246826 0.000035232 2 1: GGA PW86 0 1 Ex -0.843291987 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0.005752149 2 1: GGA WC 0 2 Ex -0.341632022 -0.335879847 0.005752175 2 1: GGA WC 0 3 Ex 0.024176431 0.010758437 0.013417994 2 1: GGA WC 0 4 Ex -0.043613533 -0.056724903 0.013111370 2 1: GGA PBEJsJrLO 0 1 Ex -0.253102305 -0.260534991 0.007432686 2 1: GGA PBEJsJrLO 0 2 Ex -0.329198173 -0.321765462 0.007432712 2 1: GGA PBEJsJrLO 0 3 Ex 0.021384309 0.004041076 0.017343233 2 7: 2 11.200 0.000000005 -0.018978407 -0.018979847 0.000001440 1: GGA PBEJsJrLO 0 4 Ex -0.038576632 -0.055521398 0.016944766 2 1: GGA PBEJsJrHEG 0 1 Ex -0.222429297 -0.226261362 0.003832065 2 1: GGA PBEJsJrHEG 0 2 Ex -0.304049821 -0.300217734 0.003832087 2 1: GGA PBEJsJrHEG 0 3 Ex 0.022936837 0.013994677 0.008942159 2 1: GGA PBEJsJrHEG 0 4 Ex -0.041377343 -0.050113838 0.008736495 2 1: GGA PBEGcGxLO 0 1 Ex -0.250873144 -0.259434911 0.008561767 2 1: GGA PBEGcGxLO 0 2 Ex -0.319430077 -0.310868285 0.008561792 2 1: GGA PBEGcGxLO 0 3 Ex 0.019265732 -0.000711237 0.019976969 2 1: GGA PBEGcGxLO 0 4 Ex -0.034754785 -0.054273124 0.019518339 2 1: GGA PBEGcGxHEG 0 1 Ex -0.221203480 -0.225694928 0.004491447 2 1: GGA PBEGcGxHEG 0 2 Ex -0.298612525 -0.294121055 0.004491470 2 1: GGA PBEGcGxHEG 0 3 Ex 0.021753335 0.011272794 0.010480541 2 1: GGA PBEGcGxHEG 0 4 Ex -0.039242343 -0.049481960 0.010239617 2 1: GGA PBESOL 0 1 Ex -0.250873144 -0.259434911 0.008561767 2 1: GGA PBESOL 0 2 Ex -0.319430077 -0.310868285 0.008561792 2 1: GGA PBESOL 0 3 Ex 0.019265732 -0.000711237 0.019976969 2 1: GGA PBESOL 0 4 Ex -0.034754785 -0.054273124 0.019518339 2 1: GGA AM05 0 1 Ex -0.227559206 -0.250121636 0.022562430 2 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 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 1: GGA AM05 0 4 Ec 0.011742699 0.011802121 0.000059421 2 1: GGA PW86 0 1 Ex -0.310988845 -0.329098941 0.018110096 2 1: GGA PW86 0 2 Ex -0.313299826 -0.295189711 0.018110115 2 1: GGA PW86 0 3 Ex 0.000649427 -0.038257139 0.038906566 2 1: GGA PW86 0 4 Ex -0.001171547 -0.040600654 0.039429107 2 1: GGA B88 0 1 Ex -0.271059630 -0.302852231 0.031792601 2 1: GGA B88 0 2 Ex -0.246698263 -0.214905664 0.031792600 2 1: GGA B88 0 3 Ex -0.006845983 -0.064973779 0.058127796 2 1: GGA B88 0 4 Ex 0.012349941 -0.051229100 0.063579041 2 1: GGA C09 0 1 Ex -0.308813310 -0.324601091 0.015787780 2 7: 2 11.400 0.000000003 -0.017861495 -0.017862916 0.000001421 1: GGA C09 0 2 Ex -0.375544496 -0.359756684 0.015787811 2 1: GGA C09 0 3 Ex 0.018752665 -0.018110031 0.036862695 2 1: GGA C09 0 4 Ex -0.033829226 -0.069834868 0.036005642 2 1: GGA BH 0 1 Ex -0.310623723 -0.327861457 0.017237733 2 1: GGA BH 0 2 Ex -0.320655964 -0.303418211 0.017237752 2 1: GGA BH 0 3 Ex 0.002819240 -0.034114184 0.036933425 2 1: GGA BH 0 4 Ex -0.005085822 -0.042560744 0.037474922 2 1: 1: iSpin dens gradDens 1: 1 0.678480034 -0.709316186 6.071384705 0.530054865 1: 2 0.747231618 5.160239309 -2.400052579 5.319757400 1: 3 0.074634053 -5.864042721 1.740641347 -0.820900133 1: 4 -0.012181830 -6.579343287 1.998594083 -4.659238522 1: GGA PW91 0 1 Ex -1.003344105 -1.576336378 0.572992272 2 1: GGA PW91 0 2 Ex -1.044163989 -0.471171702 0.572992288 2 1: GGA PW91 0 3 Ex -0.044312483 -0.457759949 0.413447466 2 1: GGA PW91 0 4 Ex 0.007232719 -0.908901978 0.916134697 2 1: GGA PBE 0 1 Ex -1.003455913 -1.571631833 0.568175920 2 1: GGA PBE 0 2 Ex -1.037609483 -0.469433548 0.568175935 2 1: GGA PBE 0 3 Ex -0.037075791 -0.444243296 0.407167505 2 1: GGA PBE 0 4 Ex 0.006051540 -0.885199133 0.891250673 2 1: GGA RPBE 0 1 Ex -0.930206132 -1.709265823 0.779059691 2 1: GGA RPBE 0 2 Ex -0.995781590 -0.216721883 0.779059707 2 1: GGA RPBE 0 3 Ex -0.071186175 -0.649127254 0.577941079 2 1: GGA RPBE 0 4 Ex 0.011619064 -1.330814019 1.342433083 2 1: GGA revPBE 0 1 Ex -0.942345573 -1.680125456 0.737779883 2 1: GGA revPBE 0 2 Ex -1.004039685 -0.266259787 0.737779898 2 1: GGA revPBE 0 3 Ex -0.066972735 -0.612449454 0.545476719 2 1: GGA revPBE 0 4 Ex 0.010931343 -1.249090441 1.260021784 2 1: GGA LYP 0 1 Ex -0.978477624 -1.614693005 0.636215381 2 1: GGA LYP 0 1 Ec -0.094320862 -0.037809313 0.056511548 2 1: GGA LYP 0 2 Ex -1.032590547 -0.396375166 0.636215381 2 1: GGA LYP 0 2 Ec -0.064731926 -0.121243475 0.056511548 2 1: GGA LYP 0 3 Ex -0.058742890 -0.525038384 0.466295493 2 1: GGA LYP 0 3 Ec 0.032120601 0.082019497 0.049898896 2 1: GGA LYP 0 4 Ex 0.009588061 -1.051920403 1.061508464 2 1: GGA LYP 0 4 Ec -0.005242750 0.141001919 0.146244669 2 1: GGA WC 0 1 Ex -1.012194073 -1.479079428 0.466885355 2 1: GGA WC 0 2 Ex -1.061017324 -0.594131954 0.466885370 2 1: GGA WC 0 3 Ex -0.053000628 -0.393333178 0.340332550 2 1: GGA WC 0 4 Ex 0.008650805 -0.758955039 0.767605844 2 1: GGA PBEJsJrLO 0 1 Ex -0.993968463 -1.485434010 0.491465547 2 7: 2 11.600 0.000000002 -0.016855994 -0.016857266 0.000001272 7: avgDiffVxc, maxDiffVxc = 0.000000680 0.000002261 1: GGA PBEJsJrLO 0 2 Ex -1.044604280 -0.553138719 0.491465561 2 1: GGA PBEJsJrLO 0 3 Ex -0.054968279 -0.416938921 0.361970643 2 1: GGA PBEJsJrLO 0 4 Ex 0.008971966 -0.821840733 0.830812700 2 1: GGA PBEJsJrHEG 0 1 Ex -1.030131670 -1.420725921 0.390594251 2 1: GGA PBEJsJrHEG 0 2 Ex -1.064587172 -0.673992906 0.390594266 2 1: GGA PBEJsJrHEG 0 3 Ex -0.037403556 -0.317210595 0.279807039 2 1: GGA PBEJsJrHEG 0 4 Ex 0.006105038 -0.605966117 0.612071155 2 1: GGA PBEGcGxLO 0 1 Ex -0.995278384 -1.439183595 0.443905211 2 1: GGA PBEGcGxLO 0 2 Ex -1.050729262 -0.606824037 0.443905225 2 1: GGA PBEGcGxLO 0 3 Ex -0.060195323 -0.390813816 0.330618493 2 1: GGA PBEGcGxLO 0 4 Ex 0.009825129 -0.763113350 0.772938478 2 1: GGA PBEGcGxHEG 0 1 Ex -1.024987858 -1.388368652 0.363380794 2 1: GGA PBEGcGxHEG 0 2 Ex -1.066602306 -0.703221497 0.363380809 2 1: GGA PBEGcGxHEG 0 3 Ex -0.045175030 -0.309764802 0.264589772 2 1: GGA PBEGcGxHEG 0 4 Ex 0.007373504 -0.588259883 0.595633388 2 1: GGA PBESOL 0 1 Ex -0.995278384 -1.439183595 0.443905211 2 1: GGA PBESOL 0 2 Ex -1.050729262 -0.606824037 0.443905225 2 1: GGA PBESOL 0 3 Ex -0.060195323 -0.390813816 0.330618493 2 1: GGA PBESOL 0 4 Ex 0.009825129 -0.763113350 0.772938478 2 1: GGA AM05 0 1 Ex -0.982214163 -1.300061594 0.317847431 2 1: GGA AM05 0 1 Ec -0.078603374 -0.070158254 0.008445120 2 1: GGA AM05 0 2 Ex -1.059225005 -0.741377574 0.317847431 2 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 1: GGA AM05 0 4 Ex 0.013645256 -0.644394167 0.658039423 2 1: GGA AM05 0 4 Ec -0.000134713 -0.001748071 0.001613358 2 1: GGA PW86 0 1 Ex -1.036754124 -1.584001919 0.547247795 2 1: GGA PW86 0 2 Ex -1.030764767 -0.483516957 0.547247810 2 1: GGA PW86 0 3 Ex 0.006501813 -0.358663192 0.365165005 2 1: GGA PW86 0 4 Ex -0.001061231 -0.694033317 0.692972086 2 1: GGA B88 0 1 Ex -0.977788614 -1.613753237 0.635964623 2 1: GGA B88 0 2 Ex -1.031841701 -0.395877063 0.635964638 2 1: GGA B88 0 3 Ex -0.058677935 -0.524794145 0.466116211 2 1: GGA B88 0 4 Ex 0.009577459 -1.051540185 1.061117644 2 1: GGA C09 0 1 Ex -0.957702666 -1.444057815 0.486355148 2 1: GGA C09 0 2 Ex -1.038875274 -0.552520112 0.486355162 2 1: GGA C09 0 3 Ex -0.088117835 -0.463879437 0.375761602 2 1: GGA C09 0 4 Ex 0.014382663 -0.915343683 0.929726346 2 1: GGA BH 0 1 Ex -0.917303828 -1.503030819 0.585726991 2 1: GGA BH 0 2 Ex -1.019775400 -0.434048395 0.585727005 2 1: GGA BH 0 3 Ex -0.111239165 -0.570073256 0.458834092 2 1: GGA BH 0 4 Ex 0.018156545 -1.140111066 1.158267611 2 1: 1: iSpin dens gradDens 1: 1 0.202401416 1.135649131 -0.816294153 0.444072950 1: 2 0.051732736 0.543939195 -0.967859465 -0.301889775 1: 3 0.100474659 -0.904089100 0.713069264 0.285336545 1: 4 -0.008856395 0.873774891 0.081494458 1.159089166 1: GGA PW91 0 1 Ex -0.603321935 -0.650428059 0.047106124 2 1: GGA PW91 0 2 Ex -0.151588067 -0.104481951 0.047106115 2 4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.11 sec 1: GGA PW91 0 3 Ex -0.301242477 -0.275267960 0.025974518 2 1: GGA PW91 0 4 Ex 0.026553186 -0.079463772 0.106016957 2 1: GGA PBE 0 1 Ex -0.649805950 -0.694938092 0.045132142 2 1: GGA PBE 0 2 Ex -0.340095684 -0.294963552 0.045132133 2 1: GGA PBE 0 3 Ex -0.206532860 -0.181646805 0.024886055 2 1: GGA PBE 0 4 Ex 0.018204954 -0.083369366 0.101574320 2 1: GGA RPBE 0 1 Ex -0.647653857 -0.695315741 0.047661884 2 1: GGA RPBE 0 2 Ex -0.339555156 -0.291893282 0.047661875 2 1: GGA RPBE 0 3 Ex -0.205458174 -0.179177209 0.026280965 2 1: GGA RPBE 0 4 Ex 0.018110225 -0.089157531 0.107267756 2 1: GGA revPBE 0 1 Ex -0.659868721 -0.706798454 0.046929733 2 1: GGA revPBE 0 2 Ex -0.385851715 -0.338921991 0.046929724 2 1: GGA revPBE 0 3 Ex -0.182730514 -0.156853260 0.025877254 2 1: GGA revPBE 0 4 Ex 0.016106883 -0.089513096 0.105619979 2 1: GGA LYP 0 1 Ex -1.362045302 -1.372987515 0.010942213 2 1: GGA LYP 0 1 Ec -1.089194682 -1.231109693 0.141915011 2 1: GGA LYP 0 2 Ex -3.171710496 -3.160768284 0.010942212 2 1: GGA LYP 0 2 Ec -1.966929740 -1.825014728 0.141915012 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 1: GGA LYP 0 4 Ex -0.106373198 -0.195132935 0.088759737 2 1: GGA LYP 0 4 Ec -0.051593790 -0.198445132 0.146851342 2 1: GGA WC 0 1 Ex -0.654899042 -0.693896865 0.038997823 2 1: GGA WC 0 2 Ex -0.341375175 -0.302377360 0.038997814 2 1: GGA WC 0 3 Ex -0.209075992 -0.187572425 0.021503567 2 1: GGA WC 0 4 Ex 0.018429120 -0.069339301 0.087768421 2 1: GGA PBEJsJrLO 0 1 Ex -0.656500499 -0.688697163 0.032196664 2 1: GGA PBEJsJrLO 0 2 Ex -0.341777598 -0.309580943 0.032196655 2 1: GGA PBEJsJrLO 0 3 Ex -0.209875577 -0.192122198 0.017753380 2 1: GGA PBEJsJrLO 0 4 Ex 0.018499600 -0.053962131 0.072461731 2 1: GGA PBEJsJrHEG 0 1 Ex -0.650809063 -0.681909019 0.031099957 2 1: GGA PBEJsJrHEG 0 2 Ex -0.315646042 -0.284546095 0.031099947 2 1: GGA PBEJsJrHEG 0 3 Ex -0.223506241 -0.206357590 0.017148651 2 1: GGA PBEJsJrHEG 0 4 Ex 0.019701082 -0.050292401 0.069993483 2 1: GGA PBEGcGxLO 0 1 Ex -0.659463984 -0.686104178 0.026640194 2 1: GGA PBEGcGxLO 0 2 Ex -0.342522110 -0.315881925 0.026640185 2 1: GGA PBEGcGxLO 0 3 Ex -0.211355318 -0.196665799 0.014689519 2 1: GGA PBEGcGxLO 0 4 Ex 0.018630032 -0.041326305 0.059956337 2 1: GGA PBEGcGxHEG 0 1 Ex -0.653478673 -0.679369897 0.025891224 2 1: GGA PBEGcGxHEG 0 2 Ex -0.316316750 -0.290425535 0.025891215 2 1: GGA PBEGcGxHEG 0 3 Ex -0.224839225 -0.210562691 0.014276535 2 1: GGA PBEGcGxHEG 0 4 Ex 0.019818579 -0.038452127 0.058270706 2 1: GGA PBESOL 0 1 Ex -0.659463984 -0.686104178 0.026640194 2 1: GGA PBESOL 0 2 Ex -0.342522110 -0.315881925 0.026640185 2 1: GGA PBESOL 0 3 Ex -0.211355318 -0.196665799 0.014689519 2 1: GGA PBESOL 0 4 Ex 0.018630032 -0.041326305 0.059956337 2 1: GGA AM05 0 1 Ex -1.217276162 -1.202629371 0.014646791 2 1: GGA AM05 0 1 Ec -0.070640532 -0.067950138 0.002690394 2 1: GGA AM05 0 2 Ex -2.521685916 -2.536332708 0.014646791 2 1: GGA AM05 0 2 Ec -0.170018091 -0.172708485 0.002690394 2 1: GGA AM05 0 3 Ex 0.869856466 0.858804426 0.011052040 2 1: GGA AM05 0 3 Ec 0.066270750 0.064787255 0.001483494 2 1: GGA AM05 0 4 Ex -0.076673982 -0.077469299 0.000795316 2 1: GGA AM05 0 4 Ec -0.005841472 0.000213529 0.006055001 2 1: GGA PW86 0 1 Ex -0.890660511 -0.950547836 0.059887324 2 1: GGA PW86 0 2 Ex -1.367006473 -1.307119156 0.059887317 2 1: GGA PW86 0 3 Ex 0.317655256 0.350510637 0.032855380 2 1: GGA PW86 0 4 Ex -0.027999899 -0.164673896 0.136673996 2 1: GGA B88 0 1 Ex -1.361816301 -1.372749390 0.010933089 2 1: GGA B88 0 2 Ex -3.171550080 -3.160616981 0.010933099 2 1: GGA B88 0 3 Ex 1.206835984 1.207211511 0.000375527 2 1: GGA B88 0 4 Ex -0.106377230 -0.195115907 0.088738677 2 1: GGA C09 0 1 Ex -0.674026232 -0.694812315 0.020786082 2 1: GGA C09 0 2 Ex -0.389409208 -0.368623134 0.020786074 2 1: GGA C09 0 3 Ex -0.189799224 -0.178337685 0.011461539 2 1: GGA C09 0 4 Ex 0.016729958 -0.030051116 0.046781074 2 1: GGA BH 0 1 Ex -0.916884436 -0.937461978 0.020577542 2 1: GGA BH 0 2 Ex -1.358112380 -1.337534845 0.020577535 2 1: GGA BH 0 3 Ex 0.294236514 0.305418579 0.011182065 2 1: GGA BH 0 4 Ex -0.025935641 -0.074113407 0.048177766 2 1: 1: iSpin dens gradDens 1: 1 0.205807752 0.874068588 1.018240340 0.448668705 1: 2 0.069451807 0.667464062 0.161579197 -0.162143842 1: 3 -0.039407740 1.297265788 0.359092763 0.931484629 1: 4 -0.011129112 0.993679239 -0.418002170 1.116269928 1: GGA PW91 0 1 Ex -0.715129563 -0.834899054 0.119769491 2 1: GGA PW91 0 2 Ex -1.032860125 -0.913090630 0.119769495 2 1: GGA PW91 0 3 Ex -0.091826164 -0.294765954 0.202939790 2 1: GGA PW91 0 4 Ex -0.025932562 -0.041049957 0.015117395 2 1: GGA PBE 0 1 Ex -0.689060364 -0.707883893 0.018823529 2 1: GGA PBE 0 2 Ex -0.808458468 -0.789634942 0.018823526 2 1: GGA PBE 0 3 Ex -0.034506815 -0.099202666 0.064695851 2 1: GGA PBE 0 4 Ex -0.009745045 0.104025659 0.113770704 2 1: GGA RPBE 0 1 Ex -0.673177306 -0.701068106 0.027890800 2 1: GGA RPBE 0 2 Ex -0.851899647 -0.824008851 0.027890797 2 1: GGA RPBE 0 3 Ex -0.051651899 -0.135770584 0.084118684 2 1: GGA RPBE 0 4 Ex -0.014586976 0.112412259 0.126999235 2 1: GGA revPBE 0 1 Ex -0.685635220 -0.701244432 0.015609212 2 1: GGA revPBE 0 2 Ex -0.945417517 -0.929808312 0.015609205 2 1: GGA revPBE 0 3 Ex -0.075078745 -0.140291954 0.065213209 2 1: GGA revPBE 0 4 Ex -0.021202935 0.114090924 0.135293859 2 1: GGA LYP 0 1 Ex -0.677018867 -0.545730797 0.131288069 2 1: GGA LYP 0 1 Ec -0.168947349 -0.321371106 0.152423757 2 1: GGA LYP 0 2 Ex -0.575980592 -0.707268662 0.131288070 2 1: GGA LYP 0 2 Ec -0.638723411 -0.486299654 0.152423757 2 1: GGA LYP 0 3 Ex 0.029200707 0.172702161 0.143501454 2 1: GGA LYP 0 3 Ec -0.135768286 -0.365973926 0.230205640 2 1: GGA LYP 0 4 Ex 0.008246551 0.304396546 0.296149995 2 1: GGA LYP 0 4 Ec -0.038342225 -0.156955347 0.118613122 2 1: GGA WC 0 1 Ex -0.715896561 -0.727754937 0.011858376 2 1: GGA WC 0 2 Ex -0.804630150 -0.792771778 0.011858372 2 1: GGA WC 0 3 Ex -0.025644574 -0.069852017 0.044207442 2 1: GGA WC 0 4 Ex -0.007242266 0.076648980 0.083891246 2 1: GGA PBEJsJrLO 0 1 Ex -0.698444287 -0.709808847 0.011364560 2 1: GGA PBEJsJrLO 0 2 Ex -0.791081069 -0.779716513 0.011364556 2 1: GGA PBEJsJrLO 0 3 Ex -0.026772622 -0.072109834 0.045337211 2 1: GGA PBEJsJrLO 0 4 Ex -0.007560837 0.083356040 0.090916877 2 1: GGA PBEJsJrHEG 0 1 Ex -0.700767273 -0.713748140 0.012980867 2 1: GGA PBEJsJrHEG 0 2 Ex -0.711699385 -0.698718519 0.012980865 2 1: GGA PBEJsJrHEG 0 3 Ex -0.003159450 -0.047729752 0.044570302 2 1: GGA PBEJsJrHEG 0 4 Ex -0.000892258 0.077407368 0.078299626 2 1: GGA PBEGcGxLO 0 1 Ex -0.703683556 -0.711078903 0.007395347 2 1: GGA PBEGcGxLO 0 2 Ex -0.779034457 -0.771639113 0.007395344 2 1: GGA PBEGcGxLO 0 3 Ex -0.021776892 -0.057273864 0.035496972 2 1: GGA PBEGcGxLO 0 4 Ex -0.006149997 0.074238751 0.080388748 2 1: GGA PBEGcGxHEG 0 1 Ex -0.704184106 -0.714342846 0.010158740 2 1: GGA PBEGcGxHEG 0 2 Ex -0.705656148 -0.695497410 0.010158738 2 1: GGA PBEGcGxHEG 0 3 Ex -0.000425430 -0.037581450 0.037156021 2 1: GGA PBEGcGxHEG 0 4 Ex -0.000120145 0.069214419 0.069334564 2 1: GGA PBESOL 0 1 Ex -0.703683556 -0.711078903 0.007395347 2 1: GGA PBESOL 0 2 Ex -0.779034457 -0.771639113 0.007395344 2 1: GGA PBESOL 0 3 Ex -0.021776892 -0.057273864 0.035496972 2 1: GGA PBESOL 0 4 Ex -0.006149997 0.074238751 0.080388748 2 1: GGA AM05 0 1 Ex -0.692862261 -0.596083910 0.096778350 2 1: GGA AM05 0 1 Ec -0.051569701 -0.050729454 0.000840247 2 1: GGA AM05 0 2 Ex -0.487942839 -0.584721189 0.096778350 2 1: GGA AM05 0 2 Ec -0.083605578 -0.084445825 0.000840247 2 1: GGA AM05 0 3 Ex 0.059223023 0.181216472 0.121993448 2 1: GGA AM05 0 3 Ec -0.009258573 -0.006694985 0.002563588 2 1: GGA AM05 0 4 Ex 0.016725132 0.177624369 0.160899237 2 1: GGA AM05 0 4 Ec -0.002614707 -0.006544840 0.003930133 2 1: GGA PW86 0 1 Ex -0.673405718 -0.645299927 0.028105791 2 1: GGA PW86 0 2 Ex -0.714339523 -0.742445322 0.028105798 2 1: GGA PW86 0 3 Ex -0.011830132 -0.018574437 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0.146108528 2 1: GGA PBEGcGxLO 0 2 Ex -1.124226042 -1.270334569 0.146108527 2 1: GGA PBEGcGxLO 0 3 Ex 0.036653651 0.303771169 0.267117519 2 1: GGA PBEGcGxLO 0 4 Ex -0.021230884 0.305942291 0.327173175 2 1: GGA PBEGcGxHEG 0 1 Ex -1.173056764 -1.029849576 0.143207188 2 1: GGA PBEGcGxHEG 0 2 Ex -1.131639675 -1.274846863 0.143207188 2 1: GGA PBEGcGxHEG 0 3 Ex 0.038986360 0.276835612 0.237849251 2 1: GGA PBEGcGxHEG 0 4 Ex -0.022582059 0.256722112 0.279304171 2 1: GGA PBESOL 0 1 Ex -1.163164981 -1.017056454 0.146108528 2 1: GGA PBESOL 0 2 Ex -1.124226042 -1.270334569 0.146108527 2 1: GGA PBESOL 0 3 Ex 0.036653651 0.303771169 0.267117519 2 1: GGA PBESOL 0 4 Ex -0.021230884 0.305942291 0.327173175 2 1: GGA AM05 0 1 Ex -0.899167664 -0.872906032 0.026261631 2 1: GGA AM05 0 1 Ec -0.077036081 -0.088625772 0.011589692 2 1: GGA AM05 0 2 Ex -1.030007151 -1.056268783 0.026261632 2 1: GGA AM05 0 2 Ec -0.074220838 -0.062631147 0.011589691 2 1: GGA AM05 0 3 Ex -0.123160645 0.034888855 0.158049500 2 1: GGA AM05 0 3 Ec 0.002650019 -0.013962352 0.016612371 2 1: GGA AM05 0 4 Ex 0.071338306 0.320116977 0.248778671 2 1: GGA AM05 0 4 Ec -0.001534970 -0.019586921 0.018051952 2 1: GGA PW86 0 1 Ex -1.155139494 -0.840903928 0.314235566 2 1: GGA PW86 0 2 Ex -1.082345143 -1.396580708 0.314235565 2 1: GGA PW86 0 3 Ex 0.068522120 0.601309823 0.532787703 2 1: GGA PW86 0 4 Ex -0.039690049 0.591965869 0.631655918 2 1: GGA B88 0 1 Ex -0.967430355 -0.761042543 0.206387811 2 1: GGA B88 0 2 Ex -1.032024816 -1.238412626 0.206387810 2 1: GGA B88 0 3 Ex -0.060803475 0.413334367 0.474137843 2 1: GGA B88 0 4 Ex 0.035219180 0.664520372 0.629301191 2 1: GGA C09 0 1 Ex -0.971081783 -0.879751583 0.091330200 2 1: GGA C09 0 2 Ex -1.049186995 -1.140517193 0.091330198 2 1: GGA C09 0 3 Ex -0.073521293 0.208871473 0.282392766 2 1: GGA C09 0 4 Ex 0.042585718 0.446364208 0.403778490 2 1: GGA BH 0 1 Ex -1.196576592 -1.077459247 0.119117345 2 1: GGA BH 0 2 Ex -1.139602776 -1.258720120 0.119117344 2 1: GGA BH 0 3 Ex 0.053630078 0.307942697 0.254312620 2 1: GGA BH 0 4 Ex -0.031064135 0.298754131 0.329818266 2 1: 1: iSpin dens gradDens 1: 1 0.000716047 0.000325113 0.009407236 -0.002415466 1: 2 0.001848695 -0.007539778 -0.011265683 -0.009254043 1: 3 0.000025333 0.011903890 0.003420530 0.012593507 1: 4 0.000130763 0.001807606 0.009122915 -0.001312951 1: GGA PW91 0 1 Ex -0.114582158 -0.167723715 0.053141557 2 1: GGA PW91 0 2 Ex -0.366559020 -0.313417462 0.053141557 2 1: GGA PW91 0 3 Ex -0.005635766 -0.276458856 0.270823090 2 1: GGA PW91 0 4 Ex -0.029090440 -0.206775126 0.177684685 2 1: GGA PBE 0 1 Ex -0.195622156 -0.192579084 0.003043072 2 1: GGA PBE 0 2 Ex -0.254938965 -0.257982033 0.003043067 2 1: GGA PBE 0 3 Ex -0.001326692 0.015790865 0.017117557 2 1: GGA PBE 0 4 Ex -0.006848058 0.003015027 0.009863085 2 1: GGA revPBE 0 1 Ex -0.238775961 -0.231868935 0.006907025 2 1: GGA revPBE 0 2 Ex -0.297022649 -0.303929668 0.006907019 2 1: GGA revPBE 0 3 Ex -0.001302757 0.037313337 0.038616095 2 1: GGA revPBE 0 4 Ex -0.006724513 0.015708084 0.022432598 2 1: GGA LYP 0 1 Ex -0.157560481 -0.049001253 0.108559227 2 1: GGA LYP 0 1 Ec 0.081642316 0.126076572 0.044434257 2 1: GGA LYP 0 2 Ex -0.172516690 -0.281075917 0.108559227 2 1: GGA LYP 0 2 Ec -0.163164972 -0.207599229 0.044434257 2 1: GGA LYP 0 3 Ex -0.000334514 0.339794938 0.340129451 2 1: GGA LYP 0 3 Ec -0.005475410 0.643782326 0.649257736 2 1: GGA LYP 0 4 Ex -0.001726677 0.402540724 0.404267401 2 1: GGA LYP 0 4 Ec -0.028262721 0.038396206 0.066658927 2 1: GGA WC 0 1 Ex -0.194249156 -0.191017678 0.003231478 2 1: GGA WC 0 2 Ex -0.253082152 -0.256313625 0.003231473 2 1: GGA WC 0 3 Ex -0.001315871 0.016270675 0.017586546 2 1: GGA WC 0 4 Ex -0.006792202 0.003795994 0.010588196 2 1: GGA PBEJsJrLO 0 1 Ex -0.193816100 -0.189597220 0.004218880 2 1: GGA PBEJsJrLO 0 2 Ex -0.247281863 -0.251500738 0.004218875 2 1: GGA PBEJsJrLO 0 3 Ex -0.001195826 0.022416992 0.023612818 2 1: GGA PBEJsJrLO 0 4 Ex -0.006172561 0.007524511 0.013697072 2 1: GGA PBEJsJrHEG 0 1 Ex -0.169034159 -0.166952594 0.002081565 2 1: GGA PBEJsJrHEG 0 2 Ex -0.222765055 -0.224846616 0.002081561 2 1: GGA PBEJsJrHEG 0 3 Ex -0.001201756 0.010507731 0.011709487 2 1: GGA PBEJsJrHEG 0 4 Ex -0.006203170 0.000543421 0.006746591 2 1: GGA PBEGcGxLO 0 1 Ex -0.192532226 -0.187524242 0.005007984 2 1: GGA PBEGcGxLO 0 2 Ex -0.242098123 -0.247106102 0.005007979 2 1: GGA PBEGcGxLO 0 3 Ex -0.001108601 0.026818637 0.027927238 2 1: GGA PBEGcGxLO 0 4 Ex -0.005722326 0.010556450 0.016278776 2 1: GGA PBEGcGxHEG 0 1 Ex -0.168411057 -0.165916825 0.002494232 2 1: GGA PBEGcGxHEG 0 2 Ex -0.220084467 -0.222578695 0.002494228 2 1: GGA PBEGcGxHEG 0 3 Ex -0.001155738 0.012840065 0.013995803 2 1: GGA PBEGcGxHEG 0 4 Ex -0.005965636 0.002125249 0.008090885 2 1: GGA PBESOL 0 1 Ex -0.192532226 -0.187524242 0.005007984 2 1: GGA PBESOL 0 2 Ex -0.242098123 -0.247106102 0.005007979 2 1: GGA PBESOL 0 3 Ex -0.001108601 0.026818637 0.027927238 2 1: GGA PBESOL 0 4 Ex -0.005722326 0.010556450 0.016278776 2 1: GGA AM05 0 1 Ex -0.129800979 -0.057214295 0.072586684 2 1: GGA AM05 0 1 Ec -0.038160493 -0.038179806 0.000019314 2 1: GGA AM05 0 2 Ex -0.143799587 -0.216386271 0.072586684 2 1: GGA AM05 0 2 Ec -0.022228951 -0.022209637 0.000019314 2 1: GGA AM05 0 3 Ex -0.000313096 0.229797399 0.230110494 2 1: GGA AM05 0 3 Ec 0.000356328 0.000251808 0.000104520 2 1: GGA AM05 0 4 Ex -0.001616123 0.268171250 0.269787373 2 1: GGA AM05 0 4 Ec 0.001839278 0.001775880 0.000063398 2 1: GGA PW86 0 1 Ex -0.190133737 -0.152592669 0.037541067 2 1: GGA PW86 0 2 Ex -0.220601985 -0.258143044 0.037541059 2 1: GGA PW86 0 3 Ex -0.000681459 0.130883585 0.131565044 2 1: GGA PW86 0 4 Ex -0.003517524 0.133581483 0.137099007 2 1: GGA B88 0 1 Ex -0.157559408 -0.049000943 0.108558464 2 1: GGA B88 0 2 Ex -0.172514447 -0.281072897 0.108558450 2 1: GGA B88 0 3 Ex -0.000334487 0.339791387 0.340125875 2 1: GGA B88 0 4 Ex -0.001726542 0.402538251 0.404264794 2 1: GGA C09 0 1 Ex -0.243365756 -0.240512447 0.002853309 2 1: GGA C09 0 2 Ex -0.317800588 -0.320653890 0.002853303 2 1: GGA C09 0 3 Ex -0.001664825 0.012215686 0.013880511 2 1: GGA C09 0 4 Ex -0.008593416 0.001074941 0.009668357 2 1: GGA BH 0 1 Ex -0.192289947 -0.156250374 0.036039573 2 1: GGA BH 0 2 Ex -0.226176554 -0.262216119 0.036039565 2 1: GGA BH 0 3 Ex -0.000757915 0.125057004 0.125814919 2 1: GGA BH 0 4 Ex -0.003912170 0.127797968 0.131710138 2 1: 1: iSpin dens gradDens 1: 1 0.109850863 0.731962723 -1.162481701 0.949302474 1: 2 0.131102345 1.019360785 1.008385552 -0.867600727 1: 3 0.017726249 -0.131584715 0.556583907 -0.126843623 1: 4 0.002656897 -0.509893205 -0.174768288 0.780722192 1: GGA PW91 0 1 Ex -0.977509549 -0.623578546 0.353931003 2 1: GGA PW91 0 2 Ex -0.765668056 -1.119599069 0.353931013 2 1: GGA PW91 0 3 Ex 0.176700852 0.324004160 0.147303308 2 1: GGA PW91 0 4 Ex 0.026484787 0.459187057 0.432702270 2 1: GGA PBE 0 1 Ex -0.798469501 -0.343201571 0.455267930 2 1: GGA PBE 0 2 Ex -0.726524519 -1.181792459 0.455267940 2 1: GGA PBE 0 3 Ex 0.060010622 0.268556023 0.208545401 2 1: GGA PBE 0 4 Ex 0.008994685 0.438380068 0.429385383 2 1: GGA RPBE 0 1 Ex -0.922297607 -0.359616096 0.562681511 2 1: GGA RPBE 0 2 Ex -0.751856451 -1.314537974 0.562681523 2 1: GGA RPBE 0 3 Ex 0.142168076 0.392144115 0.249976039 2 1: GGA RPBE 0 4 Ex 0.021308846 0.603857592 0.582548746 2 1: GGA revPBE 0 1 Ex -0.805536993 -0.054440299 0.751096694 2 1: GGA revPBE 0 2 Ex -0.681509036 -1.432605741 0.751096706 2 1: GGA revPBE 0 3 Ex 0.103453981 0.450351366 0.346897385 2 1: GGA revPBE 0 4 Ex 0.015506188 0.704946212 0.689440025 2 1: GGA LYP 0 1 Ex -0.557346939 0.458730452 1.016077391 2 1: GGA LYP 0 1 Ec -0.228817610 -0.318419724 0.089602114 2 1: GGA LYP 0 2 Ex -0.566098142 -1.582175533 1.016077391 2 1: GGA LYP 0 2 Ec -0.122608595 -0.033006482 0.089602114 2 1: GGA LYP 0 3 Ex -0.007299538 0.481064842 0.488364379 2 1: GGA LYP 0 3 Ec 0.088590876 0.030671996 0.057918880 2 1: GGA LYP 0 4 Ex -0.001094090 0.804246500 0.805340590 2 1: GGA LYP 0 4 Ec 0.013278433 0.041354653 0.028076220 2 1: GGA WC 0 1 Ex -0.757948162 -0.218942107 0.539006055 2 1: GGA WC 0 2 Ex -0.652603737 -1.191609803 0.539006066 2 1: GGA WC 0 3 Ex 0.087869706 0.334339134 0.246469428 2 1: GGA WC 0 4 Ex 0.013170341 0.524429025 0.511258684 2 1: GGA PBEJsJrLO 0 1 Ex -0.740344523 -0.257415458 0.482929066 2 1: GGA PBEJsJrLO 0 2 Ex -0.671308666 -1.154237742 0.482929076 2 1: GGA PBEJsJrLO 0 3 Ex 0.057584068 0.280319378 0.222735310 2 1: GGA PBEJsJrLO 0 4 Ex 0.008630981 0.453969629 0.445338648 2 1: GGA PBEJsJrHEG 0 1 Ex -0.734341450 -0.422074673 0.312266778 2 1: GGA PBEJsJrHEG 0 2 Ex -0.696320179 -1.008586965 0.312266787 2 1: GGA PBEJsJrHEG 0 3 Ex 0.031714236 0.174745381 0.143031145 2 1: GGA PBEJsJrHEG 0 4 Ex 0.004753485 0.299330717 0.294577232 2 1: GGA PBEGcGxLO 0 1 Ex -0.708513902 -0.221799655 0.486714247 2 1: GGA PBEGcGxLO 0 2 Ex -0.646165031 -1.132879288 0.486714257 2 1: GGA PBEGcGxLO 0 3 Ex 0.052006330 0.277493419 0.225487089 2 1: GGA PBEGcGxLO 0 4 Ex 0.007794963 0.449912421 0.442117459 2 1: GGA PBEGcGxHEG 0 1 Ex -0.712630193 -0.387670417 0.324959776 2 1: GGA PBEGcGxHEG 0 2 Ex -0.674616493 -0.999576277 0.324959785 2 1: GGA PBEGcGxHEG 0 3 Ex 0.031707921 0.181078293 0.149370372 2 1: GGA PBEGcGxHEG 0 4 Ex 0.004752538 0.307798972 0.303046434 2 1: GGA PBESOL 0 1 Ex -0.708513902 -0.221799655 0.486714247 2 1: GGA PBESOL 0 2 Ex -0.646165031 -1.132879288 0.486714257 2 1: GGA PBESOL 0 3 Ex 0.052006330 0.277493419 0.225487089 2 1: GGA PBESOL 0 4 Ex 0.007794963 0.449912421 0.442117459 2 1: GGA AM05 0 1 Ex -0.491723928 0.158508433 0.650232362 2 1: GGA AM05 0 1 Ec -0.059363768 -0.062500867 0.003137099 2 1: GGA AM05 0 2 Ex -0.518094245 -1.168326607 0.650232362 2 1: GGA AM05 0 2 Ec -0.054442216 -0.051305116 0.003137099 2 1: GGA AM05 0 3 Ex -0.021995962 0.291774641 0.313770603 2 1: GGA AM05 0 3 Ec 0.004105157 0.002687718 0.001417438 2 1: GGA AM05 0 4 Ex -0.003296862 0.503770249 0.507067111 2 1: GGA AM05 0 4 Ec 0.000615301 -0.002474070 0.003089371 2 1: GGA PW86 0 1 Ex -0.719039589 -0.151441388 0.567598202 2 1: GGA PW86 0 2 Ex -0.705212058 -1.272810271 0.567598213 2 1: GGA PW86 0 3 Ex 0.011533796 0.280209520 0.268675724 2 1: GGA PW86 0 4 Ex 0.001728742 0.479180504 0.477451762 2 1: GGA B88 0 1 Ex -0.557210103 0.458732608 1.015942711 2 1: GGA B88 0 2 Ex -0.565949653 -1.581892377 1.015942723 2 1: GGA B88 0 3 Ex -0.007289818 0.481010538 0.488300356 2 1: GGA B88 0 4 Ex -0.001092634 0.804136992 0.805229625 2 1: GGA C09 0 1 Ex -0.597250043 0.287558920 0.884808963 2 1: GGA C09 0 2 Ex -0.521153899 -1.405962874 0.884808975 2 1: GGA C09 0 3 Ex 0.063473181 0.482092065 0.418618884 2 1: GGA C09 0 4 Ex 0.009513670 0.755199295 0.745685624 2 1: GGA BH 0 1 Ex -0.685789563 0.153359504 0.839149067 2 1: GGA BH 0 2 Ex -0.555436706 -1.394585785 0.839149079 2 1: GGA BH 0 3 Ex 0.108729695 0.496529493 0.387799798 2 1: GGA BH 0 4 Ex 0.016296938 0.784993067 0.768696130 2 1: 1: iSpin dens gradDens 1: 1 0.241634928 -1.316563165 1.288115508 2.591463965 1: 2 0.334731780 -0.654798934 2.771147790 -1.025915685 1: 3 0.091656719 -0.918036709 -2.048603961 -2.061900273 1: 4 0.154175024 -0.946521372 -1.207388824 -1.388310244 1: GGA PW91 0 1 Ex -0.784828052 -0.751595933 0.033232119 2 1: GGA PW91 0 2 Ex -0.825148879 -0.858380988 0.033232109 2 1: GGA PW91 0 3 Ex -0.039697096 -0.069752254 0.030055158 2 1: GGA PW91 0 4 Ex -0.066774164 -0.038873005 0.027901159 2 1: GGA PBE 0 1 Ex -0.965897441 -0.934568053 0.031329389 2 1: GGA PBE 0 2 Ex -0.928147870 -0.959477250 0.031329380 2 1: GGA PBE 0 3 Ex 0.037165616 -0.022698036 0.059863651 2 1: GGA PBE 0 4 Ex 0.062515981 0.107563755 0.045047774 2 1: GGA RPBE 0 1 Ex -0.967229059 -0.928616557 0.038612502 2 1: GGA RPBE 0 2 Ex -0.912646234 -0.951258727 0.038612493 2 1: GGA RPBE 0 3 Ex 0.053738473 -0.018584879 0.072323352 2 1: GGA RPBE 0 4 Ex 0.090393049 0.145047002 0.054653953 2 1: GGA revPBE 0 1 Ex -1.092624724 -1.056198603 0.036426121 2 1: GGA revPBE 0 2 Ex -0.991968100 -1.028394212 0.036426112 2 1: GGA revPBE 0 3 Ex 0.099099548 0.028095604 0.071003944 2 5/9 Test #5: libgridxc_test6 .................. Passed 0.13 sec 1: GGA revPBE 0 4 Ex 0.166694545 0.219904002 0.053209457 2 1: GGA LYP 0 1 Ex -0.825581647 -0.805385239 0.020196408 2 1: GGA LYP 0 1 Ec -0.576086010 -0.543969247 0.032116763 2 1: GGA LYP 0 2 Ex -0.846643868 -0.866840276 0.020196408 2 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 0.073419967 2 1: GGA LYP 0 4 Ex -0.034880540 0.063107974 0.097988514 2 1: GGA LYP 0 4 Ec 0.240860812 0.206909473 0.033951339 2 1: GGA WC 0 1 Ex -0.977459250 -0.955427493 0.022031758 2 1: GGA WC 0 2 Ex -0.952671130 -0.974702879 0.022031749 2 1: GGA WC 0 3 Ex 0.024404668 -0.018315417 0.042720085 2 1: GGA WC 0 4 Ex 0.041050894 0.073099720 0.032048826 2 1: GGA PBEJsJrLO 0 1 Ex -0.963136733 -0.938495397 0.024641336 2 1: GGA PBEJsJrLO 0 2 Ex -0.931158311 -0.955799639 0.024641327 2 1: GGA PBEJsJrLO 0 3 Ex 0.031483741 -0.016356234 0.047839975 2 1: GGA PBEJsJrLO 0 4 Ex 0.052958546 0.088839018 0.035880472 2 1: GGA PBEJsJrHEG 0 1 Ex -0.890574739 -0.869013158 0.021561580 2 1: GGA PBEJsJrHEG 0 2 Ex -0.894960250 -0.916521821 0.021561572 2 1: GGA PBEJsJrHEG 0 3 Ex -0.004317671 -0.045511998 0.041194327 2 1: GGA PBEJsJrHEG 0 4 Ex -0.007262719 0.023737091 0.030999810 2 1: GGA PBEGcGxLO 0 1 Ex -0.961204656 -0.939962149 0.021242508 2 1: GGA PBEGcGxLO 0 2 Ex -0.933337022 -0.954579521 0.021242500 2 1: GGA PBEGcGxLO 0 3 Ex 0.027436545 -0.014392431 0.041828976 2 1: GGA PBEGcGxLO 0 4 Ex 0.046150789 0.077431562 0.031280773 2 1: GGA PBEGcGxHEG 0 1 Ex -0.889533554 -0.870522319 0.019011235 2 1: GGA PBEGcGxHEG 0 2 Ex -0.895852335 -0.914863561 0.019011226 2 1: GGA PBEGcGxHEG 0 3 Ex -0.006221035 -0.042812489 0.036591454 2 1: GGA PBEGcGxHEG 0 4 Ex -0.010464352 0.017029061 0.027493413 2 1: GGA PBESOL 0 1 Ex -0.961204656 -0.939962149 0.021242508 2 1: GGA PBESOL 0 2 Ex -0.933337022 -0.954579521 0.021242500 2 1: GGA PBESOL 0 3 Ex 0.027436545 -0.014392431 0.041828976 2 1: GGA PBESOL 0 4 Ex 0.046150789 0.077431562 0.031280773 2 1: GGA AM05 0 1 Ex -0.747043907 -0.742689865 0.004354042 2 1: GGA AM05 0 1 Ec -0.081569222 -0.082258617 0.000689395 2 1: GGA AM05 0 2 Ex -0.809321849 -0.813675891 0.004354042 2 1: GGA AM05 0 2 Ec -0.068840416 -0.068151022 0.000689395 2 1: GGA AM05 0 3 Ex -0.061314552 -0.147035307 0.085720754 2 1: GGA AM05 0 3 Ec 0.012531901 0.013826846 0.001294945 2 1: GGA AM05 0 4 Ex -0.103136711 -0.050861337 0.052275374 2 1: GGA AM05 0 4 Ec 0.021079810 0.020101826 0.000977984 2 1: GGA PW86 0 1 Ex -0.935126665 -0.904634750 0.030491914 2 1: GGA PW86 0 2 Ex -0.913746246 -0.944238152 0.030491906 2 1: GGA PW86 0 3 Ex 0.021049681 -0.073417144 0.094466825 2 1: GGA PW86 0 4 Ex 0.035407497 0.100773935 0.065366438 2 1: GGA B88 0 1 Ex -0.825254453 -0.805066647 0.020187806 2 1: GGA B88 0 2 Ex -0.846257853 -0.866445654 0.020187801 2 1: GGA B88 0 3 Ex -0.020678495 -0.175217314 0.154538819 2 1: GGA B88 0 4 Ex -0.034783128 0.063184973 0.097968102 2 1: GGA C09 0 1 Ex -1.108926993 -1.089695323 0.019231671 2 1: GGA C09 0 2 Ex -1.020670143 -1.039901806 0.019231663 2 1: GGA C09 0 3 Ex 0.086891588 0.046984402 0.039907186 2 1: GGA C09 0 4 Ex 0.146159636 0.175690799 0.029531163 2 1: GGA BH 0 1 Ex -0.942630940 -0.924644181 0.017986759 2 1: GGA BH 0 2 Ex -0.917049177 -0.935035929 0.017986752 2 1: GGA BH 0 3 Ex 0.025186034 -0.044434726 0.069620760 2 1: GGA BH 0 4 Ex 0.042365223 0.089185179 0.046819956 2 1: 1: iSpin dens gradDens 1: 1 0.192069388 -0.514742816 -0.411513387 0.632467768 1: 2 0.224369444 1.493790096 0.015325904 -1.891682869 1: 3 -0.064366750 -0.948198059 1.733669529 1.987489779 1: 4 0.126071801 0.462184383 0.037738186 -1.707416985 1: GGA PW91 0 1 Ex -0.931880442 -0.874659222 0.057221219 2 1: GGA PW91 0 2 Ex -0.912848416 -0.970069634 0.057221218 2 1: GGA PW91 0 3 Ex -0.037926548 0.023515834 0.061442382 2 1: GGA PW91 0 4 Ex 0.074284753 0.112984697 0.038699943 2 1: GGA PBE 0 1 Ex -0.863626507 -0.758909784 0.104716724 2 1: GGA PBE 0 2 Ex -0.864370736 -0.969087461 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1: GGA RPBE 0 3 Ex 0.266449096 0.256089057 0.010360039 2 1: GGA RPBE 0 4 Ex -0.208722535 -0.222966963 0.014244428 2 1: GGA revPBE 0 1 Ex -1.694603776 -1.612351829 0.082251947 2 1: GGA revPBE 0 2 Ex -1.691281303 -1.773533250 0.082251947 2 1: GGA revPBE 0 3 Ex 0.169060126 0.159835486 0.009224640 2 1: GGA revPBE 0 4 Ex -0.132433018 -0.145240704 0.012807686 2 1: GGA LYP 0 1 Ex -1.456428199 -1.250602578 0.205825621 2 1: GGA LYP 0 1 Ec -0.139434753 -0.114709769 0.024724985 2 1: GGA LYP 0 2 Ex -1.449325151 -1.655150772 0.205825621 2 1: GGA LYP 0 2 Ec -0.141588841 -0.166313825 0.024724985 2 1: GGA LYP 0 3 Ex 0.361430242 0.420298212 0.058867970 2 1: GGA LYP 0 3 Ec -0.109608214 -0.124514999 0.014906785 2 1: GGA LYP 0 4 Ex -0.283125885 -0.210558624 0.072567261 2 1: GGA LYP 0 4 Ec 0.085861444 0.066521728 0.019339716 2 1: GGA WC 0 1 Ex -1.560643867 -1.487994085 0.072649782 2 1: GGA WC 0 2 Ex -1.555103159 -1.627752942 0.072649783 2 1: GGA WC 0 3 Ex 0.281932390 0.273367813 0.008564577 2 1: GGA WC 0 4 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14.402690336 14.360624990 2 1: GGA WC 0 4 Ex 0.015682569 2.858961344 2.843278775 2 1: GGA PBEJsJrLO 0 1 Ex -0.803676677 6.626129105 7.429805781 2 1: GGA PBEJsJrLO 0 2 Ex -0.682939749 -8.112745534 7.429805785 2 1: GGA PBEJsJrLO 0 3 Ex 0.032393201 12.859157011 12.826763809 2 1: GGA PBEJsJrLO 0 4 Ex 0.012076654 2.746776164 2.734699510 2 1: GGA PBEJsJrHEG 0 1 Ex -0.821405932 3.825149933 4.646555865 2 1: GGA PBEJsJrHEG 0 2 Ex -0.723917798 -5.370473666 4.646555868 2 1: GGA PBEJsJrHEG 0 3 Ex 0.026155650 8.125936329 8.099780680 2 1: GGA PBEJsJrHEG 0 4 Ex 0.009751204 1.510797292 1.501046088 2 1: GGA PBEGcGxLO 0 1 Ex -0.764211204 6.855777735 7.619988939 2 1: GGA PBEGcGxLO 0 2 Ex -0.659620263 -8.279609205 7.619988942 2 1: GGA PBEGcGxLO 0 3 Ex 0.028061302 13.111697301 13.083635999 2 1: GGA PBEGcGxLO 0 4 Ex 0.010461659 3.006835610 2.996373951 2 1: GGA PBEGcGxHEG 0 1 Ex -0.792467951 4.130967202 4.923435152 2 1: GGA PBEGcGxHEG 0 2 Ex -0.701067214 -5.624502370 4.923435155 2 1: GGA PBEGcGxHEG 0 3 Ex 0.024522427 8.562889650 8.538367224 2 1: GGA PBEGcGxHEG 0 4 Ex 0.009142315 1.717824996 1.708682681 2 1: GGA PBESOL 0 1 Ex -0.764211204 6.855777735 7.619988939 2 1: GGA PBESOL 0 2 Ex -0.659620263 -8.279609205 7.619988942 2 1: GGA PBESOL 0 3 Ex 0.028061302 13.111697301 13.083635999 2 1: GGA PBESOL 0 4 Ex 0.010461659 3.006835610 2.996373951 2 1: GGA AM05 0 1 Ex -0.562765355 9.722285912 10.285051267 2 1: GGA AM05 0 1 Ec -0.058362081 -0.099091372 0.040729292 2 1: GGA AM05 0 2 Ex -0.565677184 -10.850728451 10.285051267 2 1: GGA AM05 0 2 Ec -0.060137286 -0.019407994 0.040729292 2 1: GGA AM05 0 3 Ex -0.000781231 17.141783327 17.142564558 2 1: GGA AM05 0 3 Ec -0.000476280 -0.073806995 0.073330715 2 1: GGA AM05 0 4 Ex -0.000291254 5.430865496 5.431156751 2 1: GGA AM05 0 4 Ec -0.000177564 -0.007079151 0.006901587 2 1: GGA PW86 0 1 Ex -0.812030077 7.916928479 8.728958555 2 1: GGA PW86 0 2 Ex -0.744759818 -9.473718377 8.728958559 2 1: GGA PW86 0 3 Ex 0.018048323 14.821367249 14.803318926 2 1: GGA PW86 0 4 Ex 0.006728676 3.933886707 3.927158031 2 1: GGA B88 0 1 Ex -0.630405052 15.285934277 15.916339329 2 1: GGA B88 0 2 Ex -0.607875386 -16.524214718 15.916339332 2 1: GGA B88 0 3 Ex 0.006044613 26.640959069 26.634914456 2 1: GGA B88 0 4 Ex 0.002253519 8.121622205 8.119368686 2 1: GGA C09 0 1 Ex -0.547558800 14.764393092 15.311951893 2 1: GGA C09 0 2 Ex -0.520160939 -15.832112835 15.311951896 2 1: GGA C09 0 3 Ex 0.007350729 25.635275006 25.627924277 2 1: GGA C09 0 4 Ex 0.002740458 7.801962137 7.799221679 2 1: GGA BH 0 1 Ex -0.791783293 10.597216288 11.388999582 2 1: GGA BH 0 2 Ex -0.529780247 -11.918779833 11.388999586 2 1: GGA BH 0 3 Ex 0.070294297 20.049052507 19.978758209 2 1: GGA BH 0 4 Ex 0.026206730 3.368230939 3.342024209 2 1: 1: iSpin dens gradDens 1: 1 1.157442854 5.243499041 5.798281355 -0.387231740 1: 2 0.400422679 5.005007517 -7.229430005 -6.531131039 1: 3 -0.248528978 -1.246000562 1.069700836 -0.783946036 1: 4 -0.027922955 3.467743124 -5.628480285 6.276426037 1: GGA 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0.093867124 2 1: GGA LYP 0 1 Ex -0.313413667 -1.296946854 0.983533186 2 1: GGA LYP 0 1 Ec -0.121535013 0.109775898 0.231310911 2 1: GGA LYP 0 2 Ex -0.313278258 0.670254928 0.983533187 2 1: GGA LYP 0 2 Ec -0.047015515 -0.278326426 0.231310911 2 1: GGA LYP 0 3 Ex 0.000053980 -0.385416269 0.385470249 2 1: GGA LYP 0 3 Ec 0.029706754 0.116227041 0.086520287 2 1: GGA LYP 0 4 Ex 0.000096291 -0.475357347 0.475453638 2 1: GGA LYP 0 4 Ec 0.052991770 0.167129297 0.114137527 2 1: GGA WC 0 1 Ex -0.472250449 -0.566722067 0.094471618 2 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 -0.042458266 0.045492351 2 1: GGA PBEJsJrLO 0 1 Ex -0.453032289 -0.573186081 0.120153792 2 1: GGA PBEJsJrLO 0 2 Ex -0.453173275 -0.333019490 0.120153785 2 1: GGA PBEJsJrLO 0 3 Ex -0.000056203 -0.047517900 0.047461697 2 1: GGA PBEJsJrLO 0 4 Ex -0.000100257 -0.057976559 0.057876302 2 1: GGA PBEJsJrHEG 0 1 Ex -0.423453121 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0.053373228 0.001701231 0.051671997 2 1: GGA WC 0 1 Ex -1.303028493 -1.258989943 0.044038550 2 1: GGA WC 0 2 Ex -1.224258421 -1.268297003 0.044038582 2 1: GGA WC 0 3 Ex -0.011703515 -0.043144302 0.031440787 2 1: GGA WC 0 4 Ex -0.034165214 -0.074161822 0.039996609 2 1: GGA PBEJsJrLO 0 1 Ex -1.255862361 -1.206661883 0.049200477 2 1: GGA PBEJsJrLO 0 2 Ex -1.171705755 -1.220906264 0.049200508 2 1: GGA PBEJsJrLO 0 3 Ex -0.012503837 -0.047818684 0.035314847 2 1: GGA PBEJsJrLO 0 4 Ex -0.036501534 -0.081121634 0.044620100 2 1: GGA PBEJsJrHEG 0 1 Ex -1.273686082 -1.228909748 0.044776334 2 1: GGA PBEJsJrHEG 0 2 Ex -1.145079523 -1.189855889 0.044776365 2 1: GGA PBEJsJrHEG 0 3 Ex -0.019108130 -0.042803298 0.023695167 2 1: GGA PBEJsJrHEG 0 4 Ex -0.055780964 -0.099281389 0.043500425 2 1: GGA PBEGcGxLO 0 1 Ex -1.259464446 -1.218332988 0.041131458 2 1: GGA PBEGcGxLO 0 2 Ex -1.128383792 -1.169515280 0.041131489 2 1: GGA PBEGcGxLO 0 3 Ex -0.019475727 -0.055385401 0.035909674 2 1: GGA PBEGcGxLO 0 4 Ex 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1.053392623 -1.541000349 1: 2 0.224452645 1.410275062 1.314779811 -0.813471087 1: 3 -0.166351647 -1.374809239 0.262073029 -0.872320041 1: 4 0.090033783 -1.425364930 -0.779326307 -0.957317739 1: GGA PW91 0 1 Ex -0.387738769 -0.410864110 0.023125341 2 1: GGA PW91 0 2 Ex -0.460120689 -0.436995341 0.023125349 2 1: GGA PW91 0 3 Ex 0.358813874 0.415706952 0.056893078 2 1: GGA PW91 0 4 Ex -0.194199283 -0.093389971 0.100809311 2 1: GGA PBE 0 1 Ex -0.691872148 -0.715945073 0.024072925 2 1: GGA PBE 0 2 Ex -0.712866985 -0.688794052 0.024072933 2 1: GGA PBE 0 3 Ex 0.104076251 0.163327623 0.059251372 2 1: GGA PBE 0 4 Ex -0.056328740 0.048661298 0.104990039 2 1: GGA RPBE 0 1 Ex -0.672665906 -0.702632512 0.029966606 2 1: GGA RPBE 0 2 Ex -0.689828445 -0.659861830 0.029966614 2 1: GGA RPBE 0 3 Ex 0.085078660 0.158835089 0.073756429 2 1: GGA RPBE 0 4 Ex -0.046046756 0.084645324 0.130692080 2 1: GGA revPBE 0 1 Ex -0.754658305 -0.783068189 0.028409884 2 1: GGA revPBE 0 2 Ex -0.760296961 -0.731887068 0.028409893 2 1: GGA revPBE 0 3 Ex 0.027952121 0.097879353 0.069927232 2 1: GGA revPBE 0 4 Ex -0.015128406 0.108778738 0.123907143 2 1: GGA LYP 0 1 Ex -0.876515705 -0.891593431 0.015077725 2 1: GGA LYP 0 1 Ec -1.249485158 -1.289280605 0.039795447 2 1: GGA LYP 0 2 Ex -0.868220647 -0.853142922 0.015077725 2 1: GGA LYP 0 2 Ec -1.124809799 -1.085014352 0.039795447 2 1: GGA LYP 0 3 Ex -0.041120517 0.006243327 0.047363844 2 1: GGA LYP 0 3 Ec -0.618044514 -0.532353952 0.085690562 2 1: GGA LYP 0 4 Ex 0.022255480 0.106957786 0.084702306 2 1: GGA LYP 0 4 Ec 0.334501563 0.485412147 0.150910584 2 1: GGA WC 0 1 Ex -0.710644857 -0.727628815 0.016983958 2 1: GGA WC 0 2 Ex -0.735357763 -0.718373797 0.016983965 2 1: GGA WC 0 3 Ex 0.122507575 0.164311669 0.041804093 2 1: GGA WC 0 4 Ex -0.066304246 0.007770289 0.074074534 2 1: GGA PBEJsJrLO 0 1 Ex -0.695980218 -0.715156021 0.019175802 2 1: GGA PBEJsJrLO 0 2 Ex -0.717820542 -0.698644732 0.019175810 2 1: GGA PBEJsJrLO 0 3 Ex 0.108267521 0.155466111 0.047198590 2 1: GGA PBEJsJrLO 0 4 Ex -0.058597163 0.025036085 0.083633248 2 1: GGA PBEJsJrHEG 0 1 Ex -0.660511572 -0.677076707 0.016565135 2 1: GGA PBEJsJrHEG 0 2 Ex -0.691209652 -0.674644510 0.016565142 2 1: GGA PBEJsJrHEG 0 3 Ex 0.152177466 0.192949710 0.040772244 2 1: GGA PBEJsJrHEG 0 4 Ex -0.082362353 -0.010116272 0.072246081 2 1: GGA PBEGcGxLO 0 1 Ex -0.699293081 -0.715940626 0.016647545 2 1: GGA PBEGcGxLO 0 2 Ex -0.721811289 -0.705163736 0.016647552 2 1: GGA PBEGcGxLO 0 3 Ex 0.111627948 0.152604093 0.040976145 2 1: GGA PBEGcGxLO 0 4 Ex -0.060415912 0.012191550 0.072607462 2 1: GGA PBEGcGxHEG 0 1 Ex -0.661745596 -0.676453935 0.014708339 2 1: GGA PBEGcGxHEG 0 2 Ex -0.692699737 -0.677991390 0.014708347 2 1: GGA PBEGcGxHEG 0 3 Ex 0.153446815 0.189649105 0.036202289 2 1: GGA PBEGcGxHEG 0 4 Ex -0.083049357 -0.018900957 0.064148400 2 1: GGA PBESOL 0 1 Ex -0.699293081 -0.715940626 0.016647545 2 1: GGA PBESOL 0 2 Ex -0.721811289 -0.705163736 0.016647552 2 1: GGA PBESOL 0 3 Ex 0.111627948 0.152604093 0.040976145 2 1: GGA PBESOL 0 4 Ex -0.060415912 0.012191550 0.072607462 2 1: GGA AM05 0 1 Ex -0.810033112 -0.813997803 0.003964691 2 1: GGA AM05 0 1 Ec -0.101920521 -0.101549586 0.000370935 2 1: GGA AM05 0 2 Ex -0.815772352 -0.811807661 0.003964691 2 1: GGA AM05 0 2 Ec -0.091599013 -0.091969948 0.000370935 2 1: GGA AM05 0 3 Ex 0.028450734 0.044477748 0.016027014 2 1: GGA AM05 0 3 Ec -0.051166100 -0.052079082 0.000912982 2 1: GGA AM05 0 4 Ex -0.015398268 0.013475315 0.028873583 2 1: GGA AM05 0 4 Ec 0.027692407 0.026074657 0.001617751 2 1: GGA PW86 0 1 Ex -0.906595269 -0.930583105 0.023987837 2 1: GGA PW86 0 2 Ex -0.895303624 -0.871315779 0.023987845 2 1: GGA PW86 0 3 Ex -0.055975288 0.004723839 0.060699127 2 1: GGA PW86 0 4 Ex 0.030295263 0.137976115 0.107680852 2 1: GGA B88 0 1 Ex -0.876267868 -0.891339116 0.015071247 2 1: GGA B88 0 2 Ex -0.867948362 -0.852877104 0.015071258 2 1: GGA B88 0 3 Ex -0.041241711 0.006105873 0.047347584 2 1: GGA B88 0 4 Ex 0.022321073 0.106994529 0.084673456 2 1: GGA C09 0 1 Ex -0.775298902 -0.790783550 0.015484648 2 1: GGA C09 0 2 Ex -0.784676594 -0.769191938 0.015484656 2 1: GGA C09 0 3 Ex 0.046487382 0.084599571 0.038112190 2 1: GGA C09 0 4 Ex -0.025160165 0.042372405 0.067532570 2 1: GGA BH 0 1 Ex -0.893503986 -0.909104563 0.015600577 2 1: GGA BH 0 2 Ex -0.881838016 -0.866237431 0.015600585 2 1: GGA BH 0 3 Ex -0.057830908 -0.017800715 0.040030194 2 1: GGA BH 0 4 Ex 0.031299573 0.102354352 0.071054779 2 1: 1: iSpin dens gradDens 1: 1 0.642489047 7.433391926 -2.735702945 -4.561664597 1: 2 0.848708044 -5.736509947 -5.730668107 1.931483907 1: 3 -0.241927532 -3.052932435 -5.687600036 -3.109790256 1: 4 -0.514654019 1.084094035 6.465361454 0.523405384 1: GGA PW91 0 1 Ex -1.326687962 -1.354883534 0.028195572 2 1: GGA PW91 0 2 Ex -1.311038570 -1.282842990 0.028195580 2 1: GGA PW91 0 3 Ex -0.018359214 -0.205495809 0.187136595 2 1: GGA PW91 0 4 Ex -0.039055675 0.054562027 0.093617703 2 1: GGA PBE 0 1 Ex -1.114114704 -1.065425696 0.048689008 2 1: GGA PBE 0 2 Ex -1.159188930 -1.207877930 0.048689000 2 1: GGA PBE 0 3 Ex 0.052879203 -0.116259352 0.169138555 2 1: GGA PBE 0 4 Ex 0.112490274 0.182243883 0.069753609 2 1: GGA RPBE 0 1 Ex -1.223450724 -1.194523243 0.028927481 2 1: GGA RPBE 0 2 Ex -1.229357832 -1.258285304 0.028927472 2 1: GGA RPBE 0 3 Ex 0.006929973 -0.190296962 0.197226935 2 1: GGA RPBE 0 4 Ex 0.014742176 0.101658681 0.086916505 2 1: GGA revPBE 0 1 Ex -1.139943689 -1.061444142 0.078499548 2 1: GGA revPBE 0 2 Ex -1.172850337 -1.251349875 0.078499538 2 1: GGA revPBE 0 3 Ex 0.038604707 -0.138201139 0.176805846 2 1: GGA revPBE 0 4 Ex 0.082124045 0.149509420 0.067385376 2 1: GGA LYP 0 1 Ex -0.915541540 -0.737330304 0.178211236 2 1: GGA LYP 0 1 Ec -0.165193999 -0.175890905 0.010696905 2 1: GGA LYP 0 2 Ex -1.023887171 -1.202098408 0.178211237 2 1: GGA LYP 0 2 Ec -0.119404944 -0.108708039 0.010696905 2 1: GGA LYP 0 3 Ex 0.127106577 -0.004982730 0.132089307 2 1: GGA LYP 0 3 Ec -0.053717811 -0.162778917 0.109061106 2 1: GGA LYP 0 4 Ex 0.270394652 0.296782805 0.026388153 2 1: GGA LYP 0 4 Ec -0.114274250 -0.060863928 0.053410322 2 1: GGA WC 0 1 Ex -1.115411232 -1.069226794 0.046184438 2 1: GGA WC 0 2 Ex -1.171043510 -1.217227941 0.046184431 2 1: GGA WC 0 3 Ex 0.065265469 -0.061259503 0.126524972 2 1: GGA WC 0 4 Ex 0.138839659 0.189063343 0.050223684 2 1: GGA PBEJsJrLO 0 1 Ex -1.083033908 -1.032777976 0.050255933 2 1: GGA PBEJsJrLO 0 2 Ex -1.144123703 -1.194379629 0.050255925 2 1: GGA PBEJsJrLO 0 3 Ex 0.071668001 -0.049869758 0.121537759 2 1: GGA PBEJsJrLO 0 4 Ex 0.152459807 0.199523400 0.047063593 2 1: GGA PBEJsJrHEG 0 1 Ex -1.066659007 -1.033235503 0.033423503 2 1: GGA PBEJsJrHEG 0 2 Ex -1.135343486 -1.168766982 0.033423496 2 1: GGA PBEJsJrHEG 0 3 Ex 0.080577769 -0.035945011 0.116522780 2 1: GGA PBEJsJrHEG 0 4 Ex 0.171413613 0.219492105 0.048078491 2 1: GGA PBEGcGxLO 0 1 Ex -1.063477398 -1.011749544 0.051727855 2 1: GGA PBEGcGxLO 0 2 Ex -1.133784750 -1.185512597 0.051727847 2 1: GGA PBEGcGxLO 0 3 Ex 0.082481654 -0.017115237 0.099596892 2 1: GGA PBEGcGxLO 0 4 Ex 0.175463762 0.211918540 0.036454778 2 1: GGA PBEGcGxHEG 0 1 Ex -1.055562381 -1.021706225 0.033856156 2 1: GGA PBEGcGxHEG 0 2 Ex -1.130134935 -1.163991084 0.033856149 2 1: GGA PBEGcGxHEG 0 3 Ex 0.087485411 -0.010287460 0.097772871 2 1: GGA PBEGcGxHEG 0 4 Ex 0.186108287 0.225286178 0.039177891 2 1: GGA PBESOL 0 1 Ex -1.063477398 -1.011749544 0.051727855 2 1: GGA PBESOL 0 2 Ex -1.133784750 -1.185512597 0.051727847 2 1: GGA PBESOL 0 3 Ex 0.082481654 -0.017115237 0.099596892 2 1: GGA PBESOL 0 4 Ex 0.175463762 0.211918540 0.036454778 2 1: GGA AM05 0 1 Ex -0.882518196 -0.772488671 0.110029525 2 1: GGA AM05 0 1 Ec -0.103746338 -0.104533580 0.000787242 2 1: GGA AM05 0 2 Ex -1.016440236 -1.126469761 0.110029525 2 1: GGA AM05 0 2 Ec -0.088421965 -0.087634723 0.000787242 2 1: GGA AM05 0 3 Ex 0.157111756 0.146618871 0.010492884 2 1: GGA AM05 0 3 Ec -0.017977915 -0.012431190 0.005546725 2 1: GGA AM05 0 4 Ex 0.334224864 0.317113229 0.017111634 2 1: GGA AM05 0 4 Ec -0.038244536 -0.040694208 0.002449672 2 1: GGA PW86 0 1 Ex -1.014868067 -0.916072460 0.098795607 2 1: GGA PW86 0 2 Ex -1.075926725 -1.174722324 0.098795599 2 1: GGA PW86 0 3 Ex 0.071631472 -0.141251801 0.212883273 2 1: GGA PW86 0 4 Ex 0.152382099 0.232660420 0.080278321 2 1: GGA B88 0 1 Ex -0.914867463 -0.736695761 0.178171702 2 1: GGA B88 0 2 Ex -1.023019099 -1.201190791 0.178171692 2 1: GGA B88 0 3 Ex 0.126878992 -0.005105639 0.131984630 2 1: GGA B88 0 4 Ex 0.269910507 0.296257378 0.026346870 2 1: GGA C09 0 1 Ex -1.020087562 -0.910700556 0.109387006 2 1: GGA C09 0 2 Ex -1.105933014 -1.215320011 0.109386997 2 1: GGA C09 0 3 Ex 0.100710307 0.037073446 0.063636861 2 1: GGA C09 0 4 Ex 0.214241693 0.222240602 0.007998909 2 1: GGA BH 0 1 Ex -1.065448716 -0.986265023 0.079183693 2 1: GGA BH 0 2 Ex -1.136317658 -1.215501343 0.079183685 2 1: GGA BH 0 3 Ex 0.083140488 0.005579195 0.077561293 2 1: GGA BH 0 4 Ex 0.176865304 0.197460931 0.020595628 2 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0.009986310 0.013631047 0.003644738 2 1: GGA WC 0 1 Ex -0.085866586 -0.085922971 0.000056385 2 1: GGA WC 0 2 Ex -0.113307243 -0.113250828 0.000056415 2 1: GGA WC 0 3 Ex -0.005010610 -0.005506994 0.000496384 2 1: GGA WC 0 4 Ex 0.010323624 0.010157682 0.000165943 2 1: GGA PBEJsJrLO 0 1 Ex -0.085848276 -0.085910505 0.000062229 2 1: GGA PBEJsJrLO 0 2 Ex -0.113011747 -0.112949486 0.000062260 2 1: GGA PBEJsJrLO 0 3 Ex -0.004959996 -0.005519055 0.000559059 2 1: GGA PBEJsJrLO 0 4 Ex 0.010219342 0.010030748 0.000188594 2 1: GGA PBEJsJrHEG 0 1 Ex -0.074079503 -0.074109251 0.000029748 2 1: GGA PBEJsJrHEG 0 2 Ex -0.098591587 -0.098561812 0.000029774 2 1: GGA PBEJsJrHEG 0 3 Ex -0.004475858 -0.004743432 0.000267574 2 1: GGA PBEJsJrHEG 0 4 Ex 0.009221847 0.009131552 0.000090295 2 1: GGA PBEGcGxLO 0 1 Ex -0.085722350 -0.085797858 0.000075508 2 1: GGA PBEGcGxLO 0 2 Ex -0.112246492 -0.112170953 0.000075539 2 1: GGA PBEGcGxLO 0 3 Ex -0.004843256 -0.005521122 0.000677866 2 1: GGA PBEGcGxLO 0 4 Ex 0.009978816 0.009750206 0.000228610 2 1: GGA PBEGcGxHEG 0 1 Ex -0.074018711 -0.074054922 0.000036211 2 1: GGA PBEGcGxHEG 0 2 Ex -0.098220106 -0.098183869 0.000036238 2 1: GGA PBEGcGxHEG 0 3 Ex -0.004419127 -0.004744651 0.000325524 2 1: GGA PBEGcGxHEG 0 4 Ex 0.009104961 0.008995129 0.000109832 2 1: GGA PBESOL 0 1 Ex -0.085722350 -0.085797858 0.000075508 2 1: GGA PBESOL 0 2 Ex -0.112246492 -0.112170953 0.000075539 2 1: GGA PBESOL 0 3 Ex -0.004843256 -0.005521122 0.000677866 2 1: GGA PBESOL 0 4 Ex 0.009978816 0.009750206 0.000228610 2 1: GGA AM05 0 1 Ex -0.102664661 -0.129924120 0.027259459 2 1: GGA AM05 0 2 Ex -0.080181103 -0.052921644 0.027259459 2 1: GGA AM05 0 3 Ex 0.004105453 -0.115572956 0.119678409 2 1: GGA AM05 0 3 Ec 0.001634689 0.001637734 0.000003045 2 1: GGA AM05 0 4 Ex -0.008458682 -0.030316613 0.021857931 2 1: GGA AM05 0 4 Ec -0.003368035 -0.003367019 0.000001016 2 1: GGA PW86 0 1 Ex -0.130039950 -0.138010360 0.007970410 2 1: GGA PW86 0 2 Ex -0.115326619 -0.107356151 0.007970468 2 1: GGA PW86 0 3 Ex 0.002686625 -0.035371471 0.038058096 2 1: GGA PW86 0 4 Ex -0.005535396 -0.013414103 0.007878707 2 1: GGA B88 0 1 Ex -0.121374882 -0.165471982 0.044097101 2 1: GGA B88 0 2 Ex -0.096916702 -0.052819467 0.044097235 2 1: GGA B88 0 3 Ex 0.004466015 -0.187295088 0.191761103 2 1: GGA B88 0 4 Ex -0.009201567 -0.043667324 0.034465756 2 1: GGA C09 0 1 Ex -0.106899743 -0.107006868 0.000107125 2 1: GGA C09 0 2 Ex -0.140083453 -0.139976290 0.000107163 2 1: GGA C09 0 3 Ex -0.006059280 -0.007085951 0.001026672 2 1: GGA C09 0 4 Ex 0.012484255 0.012128381 0.000355874 2 1: GGA BH 0 1 Ex -0.128887475 -0.136704010 0.007816535 2 1: GGA BH 0 2 Ex -0.116463935 -0.108647342 0.007816593 2 1: GGA BH 0 3 Ex 0.002268514 -0.034912091 0.037180605 2 1: GGA BH 0 4 Ex -0.004673939 -0.012331257 0.007657318 2 1: 1: iSpin dens gradDens 1: 1 0.090131550 9.136765653 12.894600537 -5.377247550 1: 2 2.689404788 -10.318649825 -4.406919078 -9.843428604 1: 3 0.352455441 -5.161650824 7.233140006 -0.289378751 1: 4 -0.181541545 12.425197346 9.004719472 12.801056282 1: GGA PW91 0 1 Ex -0.037394385 -0.058461986 0.021067602 2 1: GGA PW91 0 2 Ex -1.609128747 -1.588060978 0.021067769 2 1: GGA PW91 0 3 Ex -0.213123545 -0.205655314 0.007468231 2 1: GGA PW91 0 4 Ex 0.109774948 0.275096067 0.165321119 2 1: GGA PBE 0 1 Ex -0.723317379 -0.744321488 0.021004109 2 1: GGA PBE 0 2 Ex -1.615412897 -1.594408618 0.021004278 2 1: GGA PBE 0 3 Ex -0.120966089 -0.113517598 0.007448491 2 1: GGA PBE 0 4 Ex 0.062306800 0.227135081 0.164828281 2 1: GGA RPBE 0 1 Ex -0.723071807 -0.745957151 0.022885344 2 1: GGA RPBE 0 2 Ex -1.601374111 -1.578488608 0.022885503 2 1: GGA RPBE 0 3 Ex -0.119095761 -0.110980276 0.008115486 2 1: GGA RPBE 0 4 Ex 0.061343438 0.240934144 0.179590706 2 1: GGA revPBE 0 1 Ex -0.891137520 -0.913482599 0.022345079 2 1: GGA revPBE 0 2 Ex -1.609132434 -1.586787187 0.022345248 2 1: GGA revPBE 0 3 Ex -0.097358450 -0.089434280 0.007924170 2 1: GGA revPBE 0 4 Ex 0.050147058 0.225498708 0.175351650 2 1: GGA LYP 0 1 Ex -2.162622856 -2.184724782 0.022101925 2 1: GGA LYP 0 1 Ec -0.389580178 -0.404057081 0.014476903 2 1: GGA LYP 0 2 Ex -1.657115678 -1.635013756 0.022101922 2 1: GGA LYP 0 2 Ec -0.047515105 -0.033038203 0.014476902 2 1: GGA LYP 0 3 Ex 0.068545604 0.108322707 0.039777103 2 1: GGA LYP 0 3 Ec 0.046383233 0.035262582 0.011120651 2 1: GGA LYP 0 4 Ex -0.035306236 0.200144686 0.235450922 2 1: GGA LYP 0 4 Ec -0.023890917 0.058157400 0.082048317 2 1: GGA WC 0 1 Ex -0.723913319 -0.740849525 0.016936205 2 1: GGA WC 0 2 Ex -1.644516188 -1.627579814 0.016936374 2 1: GGA WC 0 3 Ex -0.124831620 -0.118825571 0.006006049 2 1: GGA WC 0 4 Ex 0.064297845 0.197203989 0.132906144 2 1: GGA PBEJsJrLO 0 1 Ex -0.723825769 -0.739111822 0.015286053 2 1: GGA PBEJsJrLO 0 2 Ex -1.639621005 -1.624334793 0.015286212 2 1: GGA PBEJsJrLO 0 3 Ex -0.124179716 -0.118758871 0.005420846 2 1: GGA PBEJsJrLO 0 4 Ex 0.063962064 0.183918722 0.119956658 2 1: GGA PBEJsJrHEG 0 1 Ex -0.627934601 -0.642404459 0.014469858 2 1: GGA PBEJsJrHEG 0 2 Ex -1.643577952 -1.629107931 0.014470021 2 1: GGA PBEJsJrHEG 0 3 Ex -0.137718890 -0.132587560 0.005131330 2 1: GGA PBEJsJrHEG 0 4 Ex 0.070935775 0.184487331 0.113551555 2 1: GGA PBEGcGxLO 0 1 Ex -0.724055830 -0.736810725 0.012754895 2 1: GGA PBEGcGxLO 0 2 Ex -1.650946390 -1.638191325 0.012755065 2 1: GGA PBEGcGxLO 0 3 Ex -0.125684217 -0.121160911 0.004523306 2 1: GGA PBEGcGxLO 0 4 Ex 0.064736997 0.164830908 0.100093911 2 1: GGA PBEGcGxHEG 0 1 Ex -0.628135121 -0.640324134 0.012189014 2 1: GGA PBEGcGxHEG 0 2 Ex -1.653056284 -1.640867113 0.012189171 2 1: GGA PBEGcGxHEG 0 3 Ex -0.138976940 -0.134654409 0.004322531 2 1: GGA PBEGcGxHEG 0 4 Ex 0.071583768 0.167236711 0.095652943 2 1: GGA PBESOL 0 1 Ex -0.724055830 -0.736810725 0.012754895 2 1: GGA PBESOL 0 2 Ex -1.650946390 -1.638191325 0.012755065 2 1: GGA PBESOL 0 3 Ex -0.125684217 -0.121160911 0.004523306 2 1: GGA PBESOL 0 4 Ex 0.064736997 0.164830908 0.100093911 2 1: GGA AM05 0 1 Ex -1.848779528 -1.852756400 0.003976872 2 1: GGA AM05 0 1 Ec -0.250456780 -0.249914399 0.000542380 2 1: GGA AM05 0 2 Ex -1.713274449 -1.709297577 0.003976872 2 1: GGA AM05 0 2 Ec -0.052575235 -0.053117616 0.000542381 2 1: GGA AM05 0 3 Ex 0.018374175 0.038203526 0.019829350 2 1: GGA AM05 0 3 Ec 0.026832280 0.026639945 0.000192335 2 1: GGA AM05 0 4 Ex -0.009464107 0.057503762 0.066967869 2 1: GGA AM05 0 4 Ec -0.013820679 -0.018076941 0.004256261 2 1: GGA PW86 0 1 Ex -1.827109881 -1.856287584 0.029177703 2 1: GGA PW86 0 2 Ex -1.573474625 -1.544296754 0.029177871 2 1: GGA PW86 0 3 Ex 0.034392354 0.047703227 0.013310872 2 1: GGA PW86 0 4 Ex -0.017714696 0.217009036 0.234723732 2 1: GGA B88 0 1 Ex -2.162052420 -2.184131898 0.022079478 2 1: GGA B88 0 2 Ex -1.654435758 -1.632356088 0.022079670 2 1: GGA B88 0 3 Ex 0.068831646 0.108599158 0.039767513 2 1: GGA B88 0 4 Ex -0.035453569 0.199819378 0.235272947 2 1: GGA C09 0 1 Ex -0.892533561 -0.902783658 0.010250097 2 1: GGA C09 0 2 Ex -1.664712651 -1.654462402 0.010250249 2 1: GGA C09 0 3 Ex -0.104705699 -0.101070828 0.003634871 2 1: GGA C09 0 4 Ex 0.053931454 0.134368797 0.080437343 2 1: GGA BH 0 1 Ex -1.805615143 -1.816430923 0.010815780 2 1: GGA BH 0 2 Ex -1.681996081 -1.671180144 0.010815937 2 1: GGA BH 0 3 Ex 0.016762459 0.023521259 0.006758800 2 1: GGA BH 0 4 Ex -0.008633950 0.081918074 0.090552024 2 1: 1: Some errors found. Error codes: 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 0.19 sec 4: 4: funcs= VDW 4: auths= BH 4: dr, dx, Ecut = 0.024000 0.408248 59.217626 4: rMax, rBuff = 12.000000 3.000000 4: atomEx, cellEx, diff = -4.299743248 -4.299745396 0.000002148 4: atomEc, cellEc, diff = -0.679499275 -0.679753307 0.000254032 4: atomDx, cellDx, diff = 1.349799036 1.349797201 0.000001835 4: atomDc, cellDc, diff = 0.155982425 0.155866069 0.000116356 4: avgDiffVxc, maxDiffVxc = 0.000006162 0.038047291 7/9 Test #4: libgridxc_test4 .................. Passed 14.73 sec 2: 2: funcs= VDW 2: auths= BH 2: dr, rMax = 0.200000 20.000000 2: iSpin r dens Vxc dExc/dDens diff 2: 1 0.000 0.047620227 -0.999477920 2: 1 0.200 0.047382720 -0.999360161 -1.000195026 0.000834865 2: 1 0.400 0.046677283 -0.999006885 -0.998709202 -0.000297683 3: Ex, Ec = -3.716289981 -0.771674483 3: Dx, Dc = 1.192543612 0.121155159 2: 1 0.600 0.045524817 -0.987412253 -0.987508059 0.000095805 2: 1 0.800 0.043959010 -0.980158453 -0.980143398 -0.000015055 2: 1 1.000 0.042024703 -0.963929151 -0.963927492 -0.000001659 2: 1 1.200 0.039775757 -0.949006509 -0.949005827 -0.000000682 2: 1 1.400 0.037272568 -0.929353368 -0.929356359 0.000002991 3: i1 i2 i3 iSpin Vxc dExc/dDens diff 3: 2 8 13 2 -0.313847006 -0.313846988 -0.000000018 2: 1 1.600 0.034579382 -0.908100586 -0.908099063 -0.000001523 2: 1 1.800 0.031761587 -0.884442948 -0.884442165 -0.000000783 2: 1 2.000 0.028883127 -0.858808538 -0.858809374 0.000000836 2: 1 2.200 0.026004187 -0.831341143 -0.831341125 -0.000000017 2: 1 2.400 0.023179251 -0.802320622 -0.802320395 -0.000000227 3: 4 2 23 2 -0.524218962 -0.524218947 -0.000000014 2: 1 2.600 0.020455616 -0.772056571 -0.772056926 0.000000355 2: 1 2.800 0.017872394 -0.740675199 -0.740674874 -0.000000326 2: 1 3.000 0.015460016 -0.708430779 -0.708429554 -0.000001224 2: 1 3.200 0.013240188 -0.675669578 -0.675674006 0.000004429 2: 1 3.400 0.011226266 -0.642459702 -0.642454691 -0.000005011 3: 5 6 2 1 -0.626312320 -0.626312328 0.000000008 2: 1 3.600 0.009423960 -0.609091304 -0.609092448 0.000001144 2: 1 3.800 0.007832284 -0.575839731 -0.575841531 0.000001800 2: 1 4.000 0.006444664 -0.542697531 -0.542696462 -0.000001069 2: 1 4.200 0.005250115 -0.510078329 -0.510077513 -0.000000816 2: 1 4.400 0.004234421 -0.478003232 -0.478007540 0.000004308 3: 4 2 9 2 -0.561691010 -0.561691005 -0.000000005 2: 1 4.600 0.003381238 -0.446577649 -0.446566566 -0.000011083 2: 1 4.800 0.002673091 -0.416186718 -0.416202730 0.000016011 2: 1 5.000 0.002092223 -0.386734472 -0.386724841 -0.000009631 2: 1 5.200 0.001621280 -0.359258071 -0.359253814 -0.000004257 2: 1 5.400 0.001243837 -0.329009264 -0.329019030 0.000009766 3: 7 3 21 1 -0.491741169 -0.491741176 0.000000007 2: 1 5.600 0.000944766 -0.268263860 -0.268258610 -0.000005250 2: 1 5.800 0.000710460 -0.184072378 -0.184073422 0.000001044 2: 1 6.000 0.000528944 -0.147193854 -0.147194457 0.000000604 2: 1 6.200 0.000389881 -0.169127143 -0.169125287 -0.000001857 2: 1 6.400 0.000284517 -0.195915387 -0.195917509 0.000002122 3: 1 2 0 2 -0.680189858 -0.680189871 0.000000013 2: 1 6.600 0.000205559 -0.203472102 -0.203471426 -0.000000676 2: 1 6.800 0.000147033 -0.198598658 -0.198597592 -0.000001066 2: 1 7.000 0.000104122 -0.189565923 -0.189567430 0.000001507 2: 1 7.200 0.000072999 -0.181016372 -0.181015280 -0.000001093 2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000748 2: 1 7.600 0.000034818 -0.165710223 -0.165709116 -0.000001107 2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001310 2: 1 8.000 0.000015954 -0.142174017 -0.142175066 0.000001050 2: 1 8.200 0.000010638 -0.126477393 -0.126473509 -0.000003883 2: 1 8.400 0.000007022 -0.110553043 -0.110555104 0.000002060 2: 1 8.600 0.000004589 -0.096226748 -0.096227608 0.000000861 2: 1 8.800 0.000002969 -0.084195519 -0.084194595 -0.000000924 2: 1 9.000 0.000001902 -0.074352560 -0.074354361 0.000001801 2: 1 9.200 0.000001206 -0.066227937 -0.066230345 0.000002408 2: 1 9.400 0.000000757 -0.059254673 -0.059259092 0.000004419 2: 1 9.600 0.000000470 -0.053256096 -0.053258876 0.000002780 2: 1 9.800 0.000000289 -0.047889328 -0.047892333 0.000003005 2: 1 10.000 0.000000176 -0.043050812 -0.043053583 0.000002771 2: 1 10.200 0.000000106 -0.038722914 -0.038725315 0.000002401 2: 1 10.400 0.000000063 -0.034770816 -0.034772940 0.000002124 2: 1 10.600 0.000000037 -0.031177334 -0.031179205 0.000001871 2: 1 10.800 0.000000022 -0.027908137 -0.027909793 0.000001656 2: 1 11.000 0.000000013 -0.024937534 -0.024938986 0.000001452 2: 1 11.200 0.000000007 -0.022242269 -0.022243485 0.000001216 2: 1 11.400 0.000000004 -0.019801203 -0.019802332 0.000001129 2: 1 11.600 0.000000002 -0.017594752 -0.017596006 0.000001255 2: 1 11.800 0.000000001 -0.015604553 -0.015605092 0.000000539 2: iSpin r dens Vxc dExc/dDens diff 2: 2 0.000 0.031746818 -0.915508806 2: 2 0.200 0.031588480 -0.915751674 -0.916585922 0.000834248 2: 2 0.400 0.031118189 -0.916480278 -0.916182637 -0.000297641 2: 2 0.600 0.030349878 -0.905234497 -0.905330241 0.000095744 2: 2 0.800 0.029306007 -0.899618247 -0.899603188 -0.000015059 2: 2 1.000 0.028016469 -0.884545454 -0.884543777 -0.000001678 2: 2 1.200 0.026517171 -0.871612702 -0.871612027 -0.000000675 2: 2 1.400 0.024848378 -0.853952605 -0.853955597 0.000002992 2: 2 1.600 0.023052921 -0.835057592 -0.835056067 -0.000001525 2: 2 1.800 0.021174391 -0.813963082 -0.813962307 -0.000000775 2: 2 2.000 0.019255418 -0.791103995 -0.791104838 0.000000843 2: 2 2.200 0.017336125 -0.766590785 -0.766590763 -0.000000022 2: 2 2.400 0.015452834 -0.740674175 -0.740673952 -0.000000223 2: 2 2.600 0.013637077 -0.713633471 -0.713633830 0.000000358 2: 2 2.800 0.011914930 -0.685564496 -0.685564170 -0.000000327 2: 2 3.000 0.010306678 -0.656691901 -0.656690678 -0.000001223 2: 2 3.200 0.008826792 -0.627334141 -0.627338570 0.000004429 2: 2 3.400 0.007484177 -0.597534542 -0.597529527 -0.000005015 2: 2 3.600 0.006282640 -0.567562765 -0.567563909 0.000001144 2: 2 3.800 0.005221523 -0.537678412 -0.537680208 0.000001796 2: 2 4.000 0.004296443 -0.507860006 -0.507858936 -0.000001071 2: 2 4.200 0.003500077 -0.478500307 -0.478499491 -0.000000816 2: 2 4.400 0.002822947 -0.449602251 -0.449606559 0.000004309 2: 2 4.600 0.002254159 -0.421308745 -0.421297663 -0.000011082 2: 2 4.800 0.001782061 -0.394081537 -0.394097550 0.000016013 2: 2 5.000 0.001394815 -0.368503162 -0.368493534 -0.000009629 2: 2 5.200 0.001080853 -0.338654863 -0.338650607 -0.000004257 2: 2 5.400 0.000829225 -0.277895720 -0.277905487 0.000009767 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 0.000000603 2: 2 6.200 0.000259921 -0.206718897 -0.206717039 -0.000001859 2: 2 6.400 0.000189678 -0.212964826 -0.212966945 0.000002118 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 0.000001507 2: 2 7.200 0.000048666 -0.176119925 -0.176118834 -0.000001092 2: 2 7.400 0.000033779 -0.169045503 -0.169046255 0.000000752 2: 2 7.600 0.000023212 -0.161554180 -0.161553078 -0.000001102 2: 2 7.800 0.000015792 -0.151793526 -0.151794848 0.000001322 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 -0.107835423 0.000002176 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 -0.057800206 0.000003817 2: 2 9.600 0.000000313 -0.051913010 -0.051915903 0.000002893 2: 2 9.800 0.000000193 -0.046631823 -0.046634642 0.000002819 2: 2 10.000 0.000000117 -0.041859516 -0.041862067 0.000002550 2: 2 10.200 0.000000071 -0.037586671 -0.037588902 0.000002231 2: 2 10.400 0.000000042 -0.033684342 -0.033686321 0.000001979 2: 2 10.600 0.000000025 -0.030139120 -0.030140869 0.000001749 2: 2 10.800 0.000000015 -0.026918806 -0.026920311 0.000001505 2: 2 11.000 0.000000008 -0.023998661 -0.023999989 0.000001328 2: 2 11.200 0.000000005 -0.021355613 -0.021356881 0.000001268 2: 2 11.400 0.000000003 -0.018968230 -0.018969119 0.000000889 2: 2 11.600 0.000000002 -0.016816386 -0.016817212 0.000000826 2: avgDiffVxc, maxDiffVxc = 0.000088737 0.000834865 8/9 Test #2: libgridxc_test2 .................. Passed 20.27 sec 3: xc stress * volume = 3: -4.405894836 -0.011039400 0.003122993 3: -0.011039400 -4.442866097 0.004079677 3: 0.003122993 0.004079677 -4.466819185 3: dExc/dStrain = 3: -4.405917144 -0.011032696 0.003063851 3: -0.011032696 -4.442868111 0.004097451 3: 0.003063851 0.004097451 -4.466975974 3: diff = 3: 0.000022309 -0.000006705 0.000059142 3: -0.000006705 0.000002015 -0.000017774 3: 0.000059142 -0.000017774 0.000156789 9/9 Test #3: libgridxc_test3 .................. Passed 25.94 sec 100% tests passed, 0 tests failed out of 9 Total Test time (real) = 25.95 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary dh binary --buildsystem=cmake dh_testroot -O--buildsystem=cmake dh_prep -O--buildsystem=cmake dh_auto_install --destdir=debian/libgridxc-dev/ -O--buildsystem=cmake cd obj-x86_64-linux-gnu && make -j20 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-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.0.2 -B/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles/libgridxc-lib.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'CMakeFiles/libgridxc-lib.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [ 64%] Built target libgridxc-lib make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/depend make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-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-x86_64-linux-gnu' [ 68%] Built target libgridxc-test2 [ 72%] Built target libgridxc-test3 [ 78%] Built target libgridxc-test6 [ 80%] Built target libgridxc-test4 [ 84%] Built target libgridxc-test_libxc2 [ 88%] Built target libgridxc-test_hse06 [ 92%] Built target libgridxc-test_libxc [100%] Built target libgridxc-test_match [100%] Built target libgridxc-test1 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall make[2]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[2]: Nothing to be done for 'preinstall'. make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "RelWithDebInfo" -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-config.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-config-version.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/pkgconfig/libgridxc.pc -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/libgridxc.a -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-targets.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/x86_64-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_gpfa_core_sp.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.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_atom.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_cellsubs.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_bessph.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_sorting.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_xcmod.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_lda.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_vdwxc.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_fftr.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_fft_gpfa.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_sys.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_moreparallelsubs.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_walltime.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_alloc.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_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_fft3d.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/share/licenses/libgridxc/COPYING make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' dh_installdocs -O--buildsystem=cmake dh_installchangelogs -O--buildsystem=cmake dh_installinit -O--buildsystem=cmake dh_installsystemduser -O--buildsystem=cmake dh_perl -O--buildsystem=cmake dh_link -O--buildsystem=cmake dh_strip_nondeterminism -O--buildsystem=cmake dh_compress -O--buildsystem=cmake dh_fixperms -O--buildsystem=cmake dh_missing -O--buildsystem=cmake dh_dwz -O--buildsystem=cmake dh_strip -O--buildsystem=cmake dh_makeshlibs -O--buildsystem=cmake dh_shlibdeps -O--buildsystem=cmake dh_installdeb -O--buildsystem=cmake dh_gencontrol -O--buildsystem=cmake dpkg-gencontrol: warning: Depends field of package libgridxc-dev: substitution variable ${shlibs:Depends} used, but is not defined dh_md5sums -O--buildsystem=cmake dh_builddeb -O--buildsystem=cmake dpkg-deb: building package 'libgridxc-dev' in '../libgridxc-dev_2.0.2-1_amd64.deb'. dpkg-genbuildinfo --build=binary -O../libgridxc_2.0.2-1_amd64.buildinfo dpkg-genchanges --build=binary -O../libgridxc_2.0.2-1_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration 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/2553569 and its subdirectories I: Current time: Tue Nov 19 17:29:47 -12 2024 I: pbuilder-time-stamp: 1732080587 Wed Nov 20 05:29:48 UTC 2024 I: 1st build successful. Starting 2nd build on remote node ionos15-amd64.debian.net. Wed Nov 20 05:29:48 UTC 2024 I: Preparing to do remote build '2' on ionos15-amd64.debian.net. Wed Nov 20 05:31:11 UTC 2024 I: Deleting $TMPDIR on ionos15-amd64.debian.net. Wed Nov 20 05:31:11 UTC 2024 I: libgridxc_2.0.2-1_amd64.changes: Format: 1.8 Date: Thu, 14 Nov 2024 20:38:48 +0100 Source: libgridxc Binary: libgridxc-dev Architecture: amd64 Version: 2.0.2-1 Distribution: unstable Urgency: medium Maintainer: Debichem Team Changed-By: Michael Banck Description: libgridxc-dev - Library to compute exchange/correlation energies (development fil Changes: libgridxc (2.0.2-1) unstable; urgency=medium . * New upstream point release. * debian/watch: Updated. * debian/control (Vcs-Git): Fixed git url. Checksums-Sha1: 9a07a171a46d526312eb90d91a46f4c7c56285b9 285148 libgridxc-dev_2.0.2-1_amd64.deb bdb92651dae8afd37f942a986444a0e9a9bc5241 6025 libgridxc_2.0.2-1_amd64.buildinfo Checksums-Sha256: e45ad46a7c092cda7feeae08307345eb315b8266de4a180dad8b7b17f9ee3419 285148 libgridxc-dev_2.0.2-1_amd64.deb 23a3bc0390469ede886bdabae54a8e04453d0d4c3284cc57cc26a470046bc86b 6025 libgridxc_2.0.2-1_amd64.buildinfo Files: a537e7ebb382ff81a404ec4aa7d2bc14 285148 libdevel optional libgridxc-dev_2.0.2-1_amd64.deb beb3b9dde306b0b06ceb626db2a79bb3 6025 libdevel optional libgridxc_2.0.2-1_amd64.buildinfo Wed Nov 20 05:31:13 UTC 2024 I: diffoscope 283 will be used to compare the two builds: Running as unit: rb-diffoscope-amd64_3-36787.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.TryT3hOb/libgridxc_2.0.2-1.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.TryT3hOb/libgridxc_2.0.2-1.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.TryT3hOb/libgridxc_2.0.2-1.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.TryT3hOb/b1/libgridxc_2.0.2-1_amd64.changes /srv/reproducible-results/rbuild-debian/r-b-build.TryT3hOb/b2/libgridxc_2.0.2-1_amd64.changes ## command (total time: 0.000s) 0.000s 1 call cmp (internal) ## has_same_content_as (total time: 0.000s) 0.000s 1 call abc.DotChangesFile ## main (total time: 0.332s) 0.332s 2 calls outputs 0.000s 1 call cleanup ## recognizes (total time: 0.015s) 0.015s 12 calls diffoscope.comparators.binary.FilesystemFile ## specialize (total time: 0.000s) 0.000s 1 call specialize Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 626ms CPU time consumed: 626ms Wed Nov 20 05:31:14 UTC 2024 I: diffoscope 283 found no differences in the changes files, and a .buildinfo file also exists. Wed Nov 20 05:31:14 UTC 2024 I: libgridxc from trixie built successfully and reproducibly on amd64. Wed Nov 20 05:31:15 UTC 2024 I: Submitting .buildinfo files to external archives: Wed Nov 20 05:31:15 UTC 2024 I: Submitting 8.0K b1/libgridxc_2.0.2-1_amd64.buildinfo.asc Wed Nov 20 05:31:16 UTC 2024 I: Submitting 8.0K b2/libgridxc_2.0.2-1_amd64.buildinfo.asc Wed Nov 20 05:31:16 UTC 2024 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Wed Nov 20 05:31:16 UTC 2024 I: Done submitting .buildinfo files. Wed Nov 20 05:31:16 UTC 2024 I: Removing signed libgridxc_2.0.2-1_amd64.buildinfo.asc files: removed './b1/libgridxc_2.0.2-1_amd64.buildinfo.asc' removed './b2/libgridxc_2.0.2-1_amd64.buildinfo.asc'