Fri Nov 15 14:27:10 UTC 2024 I: starting to build libgridxc/unstable/i386 on jenkins on '2024-11-15 14:26' Fri Nov 15 14:27:10 UTC 2024 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/i386_8/47419/console.log Fri Nov 15 14:27:10 UTC 2024 I: Downloading source for unstable/libgridxc=2.0.2-1 --2024-11-15 14:27:10-- 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% 240M=0s 2024-11-15 14:27:10 (240 MB/s) - ‘libgridxc_2.0.2-1.dsc’ saved [1986/1986] Fri Nov 15 14:27:10 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----- Fri Nov 15 14:27:10 UTC 2024 I: Checking whether the package is not for us Fri Nov 15 14:27:10 UTC 2024 I: Starting 1st build on remote node ionos16-i386.debian.net. Fri Nov 15 14:27:10 UTC 2024 I: Preparing to do remote build '1' on ionos16-i386.debian.net. Fri Nov 15 14:30:03 UTC 2024 I: Deleting $TMPDIR on ionos16-i386.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Thu Dec 18 08:50:19 -12 2025 I: pbuilder-time-stamp: 1766091019 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-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: using eatmydata during job 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/120594/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='i386' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=22 ' DISTRIBUTION='unstable' HOME='/root' HOST_ARCH='i386' IFS=' ' INVOCATION_ID='870dbebe4336435e9fab666cf2a50536' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' LD_LIBRARY_PATH='/usr/lib/libeatmydata' LD_PRELOAD='libeatmydata.so' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='120594' 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.yXzHIKNK/pbuilderrc_5cVp --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.yXzHIKNK/b1 --logfile b1/build.log libgridxc_2.0.2-1.dsc' SUDO_GID='112' SUDO_UID='107' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://213.165.73.152:3128' I: uname -a Linux ionos16-i386 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 2024 /bin -> usr/bin I: user script /srv/workspace/pbuilder/120594/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: i386 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 ... 19953 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-i686-linux-gnu{a} gfortran-i686-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 61.5 MB of archives. After unpacking 224 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main i386 libproc2-0 i386 2:4.0.4-6 [65.7 kB] Get: 2 http://deb.debian.org/debian unstable/main i386 procps i386 2:4.0.4-6 [876 kB] Get: 3 http://deb.debian.org/debian unstable/main i386 sensible-utils all 0.0.24 [24.8 kB] Get: 4 http://deb.debian.org/debian unstable/main i386 libmagic-mgc i386 1:5.45-3+b1 [314 kB] Get: 5 http://deb.debian.org/debian unstable/main i386 libmagic1t64 i386 1:5.45-3+b1 [115 kB] Get: 6 http://deb.debian.org/debian unstable/main i386 file i386 1:5.45-3+b1 [43.2 kB] Get: 7 http://deb.debian.org/debian unstable/main i386 gettext-base i386 0.22.5-2 [201 kB] Get: 8 http://deb.debian.org/debian unstable/main i386 libuchardet0 i386 0.0.8-1+b2 [69.2 kB] Get: 9 http://deb.debian.org/debian unstable/main i386 groff-base i386 1.23.0-5 [1196 kB] Get: 10 http://deb.debian.org/debian unstable/main i386 bsdextrautils i386 2.40.2-11 [95.6 kB] Get: 11 http://deb.debian.org/debian unstable/main i386 libpipeline1 i386 1.5.8-1 [41.2 kB] Get: 12 http://deb.debian.org/debian unstable/main i386 man-db i386 2.13.0-1 [1428 kB] Get: 13 http://deb.debian.org/debian unstable/main i386 m4 i386 1.4.19-4 [293 kB] Get: 14 http://deb.debian.org/debian unstable/main i386 autoconf all 2.72-3 [493 kB] Get: 15 http://deb.debian.org/debian unstable/main i386 autotools-dev all 20220109.1 [51.6 kB] Get: 16 http://deb.debian.org/debian unstable/main i386 automake all 1:1.16.5-1.3 [823 kB] Get: 17 http://deb.debian.org/debian unstable/main i386 autopoint all 0.22.5-2 [723 kB] Get: 18 http://deb.debian.org/debian unstable/main i386 cmake-data all 3.31.0-1 [2265 kB] Get: 19 http://deb.debian.org/debian unstable/main i386 libicu72 i386 72.1-5+b1 [9583 kB] Get: 20 http://deb.debian.org/debian unstable/main i386 libxml2 i386 2.12.7+dfsg+really2.9.14-0.2+b1 [734 kB] Get: 21 http://deb.debian.org/debian unstable/main i386 libarchive13t64 i386 3.7.4-1.1 [390 kB] Get: 22 http://deb.debian.org/debian unstable/main i386 libbrotli1 i386 1.1.0-2+b6 [308 kB] Get: 23 http://deb.debian.org/debian unstable/main i386 libkrb5support0 i386 1.21.3-3 [34.9 kB] Get: 24 http://deb.debian.org/debian unstable/main i386 libcom-err2 i386 1.47.1-1+b1 [23.4 kB] Get: 25 http://deb.debian.org/debian unstable/main i386 libk5crypto3 i386 1.21.3-3 [83.6 kB] Get: 26 http://deb.debian.org/debian unstable/main i386 libkeyutils1 i386 1.6.3-4 [9600 B] Get: 27 http://deb.debian.org/debian unstable/main i386 libkrb5-3 i386 1.21.3-3 [350 kB] Get: 28 http://deb.debian.org/debian unstable/main i386 libgssapi-krb5-2 i386 1.21.3-3 [146 kB] Get: 29 http://deb.debian.org/debian unstable/main i386 libsasl2-modules-db i386 2.1.28+dfsg1-8 [20.6 kB] Get: 30 http://deb.debian.org/debian unstable/main i386 libsasl2-2 i386 2.1.28+dfsg1-8 [61.0 kB] Get: 31 http://deb.debian.org/debian unstable/main i386 libldap-2.5-0 i386 2.5.18+dfsg-3+b1 [200 kB] Get: 32 http://deb.debian.org/debian unstable/main i386 libnghttp2-14 i386 1.64.0-1 [82.4 kB] Get: 33 http://deb.debian.org/debian unstable/main i386 libpsl5t64 i386 0.21.2-1.1+b1 [57.7 kB] Get: 34 http://deb.debian.org/debian unstable/main i386 librtmp1 i386 2.4+20151223.gitfa8646d.1-2+b5 [62.4 kB] Get: 35 http://deb.debian.org/debian unstable/main i386 libssh2-1t64 i386 1.11.1-1 [256 kB] Get: 36 http://deb.debian.org/debian unstable/main i386 libcurl4t64 i386 8.11.0-1 [392 kB] Get: 37 http://deb.debian.org/debian unstable/main i386 libexpat1 i386 2.6.4-1 [107 kB] Get: 38 http://deb.debian.org/debian unstable/main i386 libjsoncpp26 i386 1.9.6-2 [90.0 kB] Get: 39 http://deb.debian.org/debian unstable/main i386 librhash1 i386 1.4.5-1 [144 kB] Get: 40 http://deb.debian.org/debian unstable/main i386 libuv1t64 i386 1.48.0-7 [157 kB] Get: 41 http://deb.debian.org/debian unstable/main i386 cmake i386 3.31.0-1 [13.1 MB] Get: 42 http://deb.debian.org/debian unstable/main i386 libdebhelper-perl all 13.20 [89.7 kB] Get: 43 http://deb.debian.org/debian unstable/main i386 libtool all 2.4.7-8 [517 kB] Get: 44 http://deb.debian.org/debian unstable/main i386 dh-autoreconf all 20 [17.1 kB] Get: 45 http://deb.debian.org/debian unstable/main i386 libarchive-zip-perl all 1.68-1 [104 kB] Get: 46 http://deb.debian.org/debian unstable/main i386 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 47 http://deb.debian.org/debian unstable/main i386 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 48 http://deb.debian.org/debian unstable/main i386 libelf1t64 i386 0.192-4 [195 kB] Get: 49 http://deb.debian.org/debian unstable/main i386 dwz i386 0.15-1+b1 [116 kB] Get: 50 http://deb.debian.org/debian unstable/main i386 gettext i386 0.22.5-2 [1631 kB] Get: 51 http://deb.debian.org/debian unstable/main i386 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 52 http://deb.debian.org/debian unstable/main i386 po-debconf all 1.0.21+nmu1 [248 kB] Get: 53 http://deb.debian.org/debian unstable/main i386 debhelper all 13.20 [915 kB] Get: 54 http://deb.debian.org/debian unstable/main i386 libgfortran5 i386 14.2.0-8 [735 kB] Get: 55 http://deb.debian.org/debian unstable/main i386 libgfortran-14-dev i386 14.2.0-8 [800 kB] Get: 56 http://deb.debian.org/debian unstable/main i386 gfortran-14-i686-linux-gnu i386 14.2.0-8 [12.5 MB] Get: 57 http://deb.debian.org/debian unstable/main i386 gfortran-14 i386 14.2.0-8 [12.2 kB] Get: 58 http://deb.debian.org/debian unstable/main i386 gfortran-i686-linux-gnu i386 4:14.2.0-1 [1280 B] Get: 59 http://deb.debian.org/debian unstable/main i386 gfortran i386 4:14.2.0-1 [1432 B] Get: 60 http://deb.debian.org/debian unstable/main i386 libpkgconf3 i386 1.8.1-4 [38.4 kB] Get: 61 http://deb.debian.org/debian unstable/main i386 libxc9 i386 5.2.3-1+b2 [2564 kB] Get: 62 http://deb.debian.org/debian unstable/main i386 libxc-dev i386 5.2.3-1+b2 [5389 kB] Get: 63 http://deb.debian.org/debian unstable/main i386 pkgconf-bin i386 1.8.1-4 [30.6 kB] Get: 64 http://deb.debian.org/debian unstable/main i386 pkgconf i386 1.8.1-4 [26.2 kB] Get: 65 http://deb.debian.org/debian unstable/main i386 pkg-config i386 1.8.1-4 [14.0 kB] Fetched 61.5 MB in 13s (4825 kB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libproc2-0:i386. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19953 files and directories currently installed.) Preparing to unpack .../00-libproc2-0_2%3a4.0.4-6_i386.deb ... Unpacking libproc2-0:i386 (2:4.0.4-6) ... Selecting previously unselected package procps. Preparing to unpack .../01-procps_2%3a4.0.4-6_i386.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_i386.deb ... Unpacking libmagic-mgc (1:5.45-3+b1) ... Selecting previously unselected package libmagic1t64:i386. Preparing to unpack .../04-libmagic1t64_1%3a5.45-3+b1_i386.deb ... Unpacking libmagic1t64:i386 (1:5.45-3+b1) ... Selecting previously unselected package file. Preparing to unpack .../05-file_1%3a5.45-3+b1_i386.deb ... Unpacking file (1:5.45-3+b1) ... Selecting previously unselected package gettext-base. Preparing to unpack .../06-gettext-base_0.22.5-2_i386.deb ... Unpacking gettext-base (0.22.5-2) ... Selecting previously unselected package libuchardet0:i386. Preparing to unpack .../07-libuchardet0_0.0.8-1+b2_i386.deb ... Unpacking libuchardet0:i386 (0.0.8-1+b2) ... Selecting previously unselected package groff-base. Preparing to unpack .../08-groff-base_1.23.0-5_i386.deb ... Unpacking groff-base (1.23.0-5) ... Selecting previously unselected package bsdextrautils. Preparing to unpack .../09-bsdextrautils_2.40.2-11_i386.deb ... Unpacking bsdextrautils (2.40.2-11) ... Selecting previously unselected package libpipeline1:i386. Preparing to unpack .../10-libpipeline1_1.5.8-1_i386.deb ... Unpacking libpipeline1:i386 (1.5.8-1) ... Selecting previously unselected package man-db. Preparing to unpack .../11-man-db_2.13.0-1_i386.deb ... Unpacking man-db (2.13.0-1) ... Selecting previously unselected package m4. Preparing to unpack .../12-m4_1.4.19-4_i386.deb ... Unpacking m4 (1.4.19-4) ... Selecting previously unselected package autoconf. Preparing to unpack .../13-autoconf_2.72-3_all.deb ... Unpacking autoconf (2.72-3) ... Selecting previously unselected package autotools-dev. Preparing to unpack .../14-autotools-dev_20220109.1_all.deb ... Unpacking autotools-dev (20220109.1) ... Selecting previously unselected package automake. Preparing to unpack .../15-automake_1%3a1.16.5-1.3_all.deb ... Unpacking automake (1:1.16.5-1.3) ... Selecting previously unselected package autopoint. Preparing to unpack .../16-autopoint_0.22.5-2_all.deb ... Unpacking autopoint (0.22.5-2) ... Selecting previously unselected package cmake-data. Preparing to unpack .../17-cmake-data_3.31.0-1_all.deb ... Unpacking cmake-data (3.31.0-1) ... Selecting previously unselected package libicu72:i386. Preparing to unpack .../18-libicu72_72.1-5+b1_i386.deb ... Unpacking libicu72:i386 (72.1-5+b1) ... Selecting previously unselected package libxml2:i386. Preparing to unpack .../19-libxml2_2.12.7+dfsg+really2.9.14-0.2+b1_i386.deb ... Unpacking libxml2:i386 (2.12.7+dfsg+really2.9.14-0.2+b1) ... Selecting previously unselected package libarchive13t64:i386. Preparing to unpack .../20-libarchive13t64_3.7.4-1.1_i386.deb ... Unpacking libarchive13t64:i386 (3.7.4-1.1) ... Selecting previously unselected package libbrotli1:i386. Preparing to unpack .../21-libbrotli1_1.1.0-2+b6_i386.deb ... Unpacking libbrotli1:i386 (1.1.0-2+b6) ... Selecting previously unselected package libkrb5support0:i386. Preparing to unpack .../22-libkrb5support0_1.21.3-3_i386.deb ... Unpacking libkrb5support0:i386 (1.21.3-3) ... Selecting previously unselected package libcom-err2:i386. Preparing to unpack .../23-libcom-err2_1.47.1-1+b1_i386.deb ... Unpacking libcom-err2:i386 (1.47.1-1+b1) ... Selecting previously unselected package libk5crypto3:i386. Preparing to unpack .../24-libk5crypto3_1.21.3-3_i386.deb ... Unpacking libk5crypto3:i386 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:i386. Preparing to unpack .../25-libkeyutils1_1.6.3-4_i386.deb ... Unpacking libkeyutils1:i386 (1.6.3-4) ... Selecting previously unselected package libkrb5-3:i386. Preparing to unpack .../26-libkrb5-3_1.21.3-3_i386.deb ... Unpacking libkrb5-3:i386 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:i386. Preparing to unpack .../27-libgssapi-krb5-2_1.21.3-3_i386.deb ... 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Not building database; man-db/auto-update is not 'true'. Setting up gfortran-i686-linux-gnu (4:14.2.0-1) ... Setting up cmake (3.31.0-1) ... Setting up debhelper (13.20) ... Setting up gfortran (4:14.2.0-1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Processing triggers for libc-bin (2.40-3) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps Reading package lists... Building dependency tree... Reading state information... fakeroot is already the newest version (1.36-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package I: Running cd /build/reproducible-path/libgridxc-2.0.2/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../libgridxc_2.0.2-1_source.changes 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 i386 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-i686-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/i386-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. 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-fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc_config.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o [ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_precision.mod CMakeFiles/libgridxc-lib.dir/gridxc_precision.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/precision.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_config.mod CMakeFiles/libgridxc-lib.dir/gridxc_config.mod.stamp GNU /usr/bin/cmake -E 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CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/fftr.F90 -o CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fftr.mod CMakeFiles/libgridxc-lib.dir/gridxc_fftr.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_vv_vdwxc.mod CMakeFiles/libgridxc-lib.dir/gridxc_vv_vdwxc.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o.provides.build [ 54%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/vdwxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/vdwxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/vdwxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_vdwxc.mod CMakeFiles/libgridxc-lib.dir/gridxc_vdwxc.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/vdwxc.F90.o.provides.build [ 56%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/xcmod.F90 -o CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_xcmod.mod CMakeFiles/libgridxc-lib.dir/gridxc_xcmod.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o.provides.build [ 58%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/cellxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o [ 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-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_atom.mod CMakeFiles/libgridxc-lib.dir/gridxc_atom.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cell.mod CMakeFiles/libgridxc-lib.dir/gridxc_cell.mod.stamp GNU /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-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc.mod CMakeFiles/libgridxc-lib.dir/gridxc.mod.stamp GNU [ 64%] Linking Fortran static library libgridxc.a /usr/bin/cmake -P CMakeFiles/libgridxc-lib.dir/cmake_clean_target.cmake /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o.provides.build /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-i686-linux-gnu' [ 64%] Built target libgridxc-lib make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-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-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_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 -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd 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"--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers 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Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Scanning dependencies of target libgridxc-test2 make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". 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Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Scanning dependencies of target libgridxc-test3 Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Scanning dependencies of target libgridxc-test_libxc2 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Scanning dependencies of target libgridxc-test_hse06 Scanning dependencies of target libgridxc-test6 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build Scanning dependencies of target libgridxc-test_libxc make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Scanning dependencies of target libgridxc-test4 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Scanning dependencies of target libgridxc-test_match make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o [ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o [ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o [ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o [ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o [ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o [ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o [ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.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-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o [ 84%] Linking Fortran executable libgridxc-test_hse06 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-i686-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 -Wl,--dependency-file,CMakeFiles/libgridxc-test_match.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 88%] Linking Fortran executable libgridxc-test_libxc2 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 [ 90%] Linking Fortran executable libgridxc-test_libxc cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file,CMakeFiles/libgridxc-test_hse06.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 90%] Built target libgridxc-test_match [ 90%] Built target libgridxc-test_hse06 [ 92%] Linking Fortran executable libgridxc-test2 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file,CMakeFiles/libgridxc-test_libxc2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 94%] Linking Fortran executable libgridxc-test6 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1 [ 94%] Built target libgridxc-test_libxc2 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file,CMakeFiles/libgridxc-test_libxc.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 94%] Built target libgridxc-test_libxc /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file,CMakeFiles/libgridxc-test2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file,CMakeFiles/libgridxc-test6.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 94%] Built target libgridxc-test2 [ 94%] Built target libgridxc-test6 [ 96%] Linking Fortran executable libgridxc-test4 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 [ 98%] Linking Fortran executable libgridxc-test3 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test3.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file,CMakeFiles/libgridxc-test4.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [100%] Linking Fortran executable libgridxc-test1 cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1 [100%] Built target libgridxc-test4 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file,CMakeFiles/libgridxc-test1.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test1.dir/test1.f90.o" -o libgridxc-test1 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file,CMakeFiles/libgridxc-test3.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test3.dir/test3.F90.o" -o libgridxc-test3 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [100%] Built target libgridxc-test1 [100%] Built target libgridxc-test3 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' dh_auto_test -O--buildsystem=cmake cd obj-i686-linux-gnu && make -j22 test ARGS\+=--verbose ARGS\+=-j22 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' Running tests... /usr/bin/ctest --force-new-ctest-process --verbose -j22 UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu 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-i686-linux-gnu/Testers/libgridxc-test1 1: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-i686-linux-gnu/Testers/libgridxc-test2 2: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-i686-linux-gnu/Testers/libgridxc-test3 3: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-i686-linux-gnu/Testers/libgridxc-test4 4: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-i686-linux-gnu/Testers/libgridxc-test6 5: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-i686-linux-gnu/Testers/libgridxc-test_libxc 6: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-i686-linux-gnu/Testers/libgridxc-test_libxc2 7: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-i686-linux-gnu/Testers/libgridxc-test_match 8: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-i686-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-i686-linux-gnu/Testers/libgridxc-test_hse06 9: Working Directory: /build/reproducible-path/libgridxc-2.0.2/obj-i686-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 -0.286794970 0.000000004 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 -0.055267488 -0.055267488 0.000000000 0 1: LDA PZ 0 3 Ex 0.015230538 0.015230538 0.000000000 0 1: LDA PZ 0 3 Ec -0.005677969 -0.005677969 0.000000000 0 1: LDA PZ 0 4 Ex -0.001071693 -0.001071693 0.000000000 0 1: LDA PZ 0 4 Ec 0.000399529 0.000399529 0.000000000 0 1: 1: LDA PW92 0 1 Ex -0.286794967 -0.286794960 0.000000007 0 1: LDA PW92 0 1 Ec -0.045526830 -0.045526830 0.000000000 0 1: LDA PW92 0 2 Ex -0.260107164 -0.260107172 0.000000008 0 1: LDA PW92 0 2 Ec -0.054196335 -0.054196335 0.000000000 0 1: LDA PW92 0 3 Ex 0.015230537 0.015230537 0.000000000 0 1: LDA PW92 0 3 Ec -0.004947624 -0.004947624 0.000000000 0 1: LDA PW92 0 4 Ex -0.001071693 -0.001071693 0.000000000 0 1: LDA PW92 0 4 Ec 0.000348138 0.000348138 0.000000000 0 1: 1: GGA PW91 0 1 Ex -0.568922409 -0.526661627 0.042260782 2 1: GGA PW91 0 1 Ec -0.001425545 -0.001425545 0.000000000 0 1: GGA PW91 1 1 Ex -0.001378028 -0.001378028 0.000000000 0 1: GGA PW91 1 1 Ec -0.000100633 -0.000100633 0.000000000 0 1: GGA PW91 2 1 Ex 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0.043897964 0.043138311 0.000759652 2 1: GGA BH 0 1 Ex -0.799425262 -0.806783645 0.007358384 2 1: GGA BH 0 2 Ex -0.727888153 -0.720529771 0.007358383 2 1: GGA BH 0 3 Ex -0.019040752 -0.005690396 0.013350356 2 1: GGA BH 0 4 Ex -0.012239675 -0.011504507 0.000735168 2 1: 1: iSpin dens gradDens 1: 1 0.151678595 -1.468203681 -0.777076648 -1.523282871 1: 2 0.489664834 -0.336026645 -0.609631987 3.058982819 1: 3 -0.183944589 -0.316949310 1.014770269 -1.827710012 1: 4 -0.053249830 0.401096796 0.477135350 -1.354955282 1: GGA PW91 0 1 Ex -0.697750259 -0.703115435 0.005365176 2 1: GGA PW91 0 2 Ex -0.891063650 -0.885698478 0.005365173 2 1: GGA PW91 0 3 Ex 0.105208285 0.097126474 0.008081811 2 1: GGA PW91 0 4 Ex 0.030456581 0.075400980 0.044944399 2 1: GGA PBE 0 1 Ex -0.885876417 -0.886747589 0.000871172 2 1: GGA PBE 0 2 Ex -0.919455914 -0.918584748 0.000871167 2 1: GGA PBE 0 3 Ex 0.018275202 0.003981362 0.014293840 2 1: GGA PBE 0 4 Ex 0.005290460 0.057431374 0.052140914 2 1: GGA RPBE 0 1 Ex 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PW86 0 3 Ex 0.048135033 0.027762022 0.020373011 2 1: GGA PW86 0 4 Ex 0.013934535 0.072325468 0.058390933 2 1: GGA B88 0 1 Ex -0.718885374 -0.704980328 0.013905047 2 1: GGA B88 0 2 Ex -0.885087241 -0.898992295 0.013905054 2 1: GGA B88 0 3 Ex 0.090453192 0.057188800 0.033264392 2 1: GGA B88 0 4 Ex 0.026185152 0.096963700 0.070778548 2 1: GGA C09 0 1 Ex -1.036283949 -1.036415841 0.000131892 2 1: GGA C09 0 2 Ex -0.950997967 -0.950866081 0.000131886 2 1: GGA C09 0 3 Ex -0.046415780 -0.056795910 0.010380130 2 1: GGA C09 0 4 Ex -0.013436831 0.022838512 0.036275343 2 1: GGA BH 0 1 Ex -0.850210085 -0.846363589 0.003846496 2 1: GGA BH 0 2 Ex -0.898993173 -0.902839674 0.003846501 2 1: GGA BH 0 3 Ex 0.026549557 0.009903290 0.016646267 2 1: GGA BH 0 4 Ex 0.007685790 0.052980915 0.045295126 2 1: 1: iSpin dens gradDens 1: 1 0.088828450 0.531912135 1.060639279 -0.647199272 1: 2 0.129872533 0.470993761 0.624013303 0.268094667 1: 3 -0.009782426 0.368439049 -1.044985097 0.461817304 1: 4 0.018983055 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0.058648797 0.567879039 0.509230242 2 1: GGA PBE 0 4 Ex 0.016268297 -0.762055141 0.778323438 2 1: GGA RPBE 0 1 Ex -0.200278503 -1.226031265 1.025752761 2 1: GGA RPBE 0 2 Ex -0.257619121 0.768133649 1.025752770 2 1: GGA RPBE 0 3 Ex 0.068086291 0.806401916 0.738315626 2 1: GGA RPBE 0 4 Ex 0.018886116 -1.085656680 1.104542796 2 1: GGA revPBE 0 1 Ex -0.212525140 -1.262082190 1.049557050 2 1: GGA revPBE 0 2 Ex -0.291614011 0.757943049 1.049557060 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 1.180667494 2 1: GGA LYP 0 3 Ec 0.415667479 0.322339452 0.093328027 2 1: GGA LYP 0 4 Ex 0.009931922 -2.941807315 2.951739237 2 1: GGA LYP 0 4 Ec 0.115299928 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0.004628013 -0.070589342 0.075217354 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 -0.062172515 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 -0.798489771 0.010543886 2 1: GGA PW86 0 3 Ex 0.031888569 0.092291753 0.060403184 2 1: GGA PW86 0 4 Ex 0.012943036 -0.112427288 0.125370324 2 1: GGA B88 0 1 Ex -0.783633438 -0.769223615 0.014409823 2 1: GGA B88 0 2 Ex -0.667757041 -0.682166861 0.014409820 2 1: GGA B88 0 3 Ex 0.064186681 0.154736700 0.090550019 2 1: GGA B88 0 4 Ex 0.026052299 -0.164995141 0.191047440 2 1: GGA C09 0 1 Ex -0.841332841 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GGA revPBE 0 2 Ex -0.389520430 -0.311379333 0.078141097 2 1: GGA revPBE 0 3 Ex 0.100186499 0.131245571 0.031059072 2 1: GGA revPBE 0 4 Ex -0.071275939 -0.086788020 0.015512080 2 1: GGA LYP 0 1 Ex -1.306499143 -1.420595160 0.114096017 2 1: GGA LYP 0 1 Ec -0.901594362 -1.245351145 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 0.025796393 2 1: GGA LYP 0 3 Ec -0.277841933 -0.062025325 0.215816608 2 1: GGA LYP 0 4 Ex 0.352012663 0.301877907 0.050134757 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 -0.086953315 0.011370706 2 1: GGA PBEJsJrLO 0 1 Ex -0.250700668 -0.300568294 0.049867626 2 1: GGA PBEJsJrLO 0 2 Ex -0.370280675 -0.320413054 0.049867621 2 1: GGA 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LYP 0 3 Ec -0.308534242 -0.321884552 0.013350310 2 1: GGA LYP 0 4 Ex -0.025954124 0.015460429 0.041414552 2 1: GGA LYP 0 4 Ec 0.070468421 0.077488811 0.007020391 2 1: GGA WC 0 1 Ex -1.134215398 -1.140294129 0.006078730 2 1: GGA WC 0 2 Ex -1.110738506 -1.104659792 0.006078714 2 1: GGA WC 0 3 Ex 0.038747969 0.043370199 0.004622229 2 1: GGA WC 0 4 Ex -0.008849936 0.019450489 0.028300425 2 1: GGA PBEJsJrLO 0 1 Ex -1.135254026 -1.139441163 0.004187137 2 1: GGA PBEJsJrLO 0 2 Ex -1.111018609 -1.106831489 0.004187120 2 1: GGA PBEJsJrLO 0 3 Ex 0.039999894 0.043318185 0.003318292 2 1: GGA PBEJsJrLO 0 4 Ex -0.009135872 0.010946494 0.020082366 2 1: GGA PBEJsJrHEG 0 1 Ex -1.084577775 -1.088933063 0.004355288 2 1: GGA PBEJsJrHEG 0 2 Ex -1.020260050 -1.015904778 0.004355272 2 1: GGA PBEJsJrHEG 0 3 Ex 0.106154650 0.109392992 0.003238342 2 1: GGA PBEJsJrHEG 0 4 Ex -0.024245447 -0.004290093 0.019955354 2 1: GGA PBEGcGxLO 0 1 Ex -1.133933017 -1.137210260 0.003277243 2 1: GGA PBEGcGxLO 0 2 Ex -1.107918271 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0.172632015 0.164342544 2 1: GGA PBESOL 0 1 Ex -0.785803102 -0.622495992 0.163307109 2 1: GGA PBESOL 0 2 Ex -0.742105206 -0.905412318 0.163307113 2 1: GGA PBESOL 0 3 Ex -0.028694903 -0.104432293 0.075737391 2 1: GGA PBESOL 0 4 Ex 0.007668555 0.189555625 0.181887070 2 1: GGA AM05 0 1 Ex -0.741523707 -0.636663916 0.104859791 2 1: GGA AM05 0 1 Ec -0.058933146 -0.063367549 0.004434403 2 1: GGA AM05 0 2 Ex -0.562126061 -0.666985852 0.104859791 2 1: GGA AM05 0 2 Ec -0.078512984 -0.074078581 0.004434403 2 1: GGA AM05 0 3 Ex -0.117804252 -0.175633304 0.057829051 2 1: GGA AM05 0 3 Ec 0.012857405 0.014743147 0.001885741 2 1: GGA AM05 0 4 Ex 0.031482540 0.113854917 0.082372377 2 1: GGA AM05 0 4 Ec -0.003436071 -0.009014159 0.005578088 2 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 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0.045524817 -0.988809470 -0.988809531 0.000000060 6: 1 0.800 0.043959010 -0.977974562 -0.977974537 -0.000000024 6: 1 1.000 0.042024703 -0.964863927 -0.964863926 -0.000000001 6: 1 1.200 0.039775757 -0.948686877 -0.948686876 -0.000000001 6: 1 1.400 0.037272568 -0.930171029 -0.930171035 0.000000006 6: 1 1.600 0.034579382 -0.909220984 -0.909220978 -0.000000007 6: 1 1.800 0.031761587 -0.886131875 -0.886131871 -0.000000004 6: 1 2.000 0.028883127 -0.861091739 -0.861091742 0.000000004 6: 1 2.200 0.026004187 -0.834328425 -0.834328428 0.000000003 6: 1 2.400 0.023179251 -0.806073217 -0.806073218 0.000000000 6: 1 2.600 0.020455616 -0.776561113 -0.776561116 0.000000002 6: 1 2.800 0.017872394 -0.746026275 -0.746026279 0.000000005 6: 1 3.000 0.015460016 -0.714697437 -0.714697438 0.000000000 6: 1 3.200 0.013240188 -0.682792452 -0.682792452 -0.000000001 6: 1 3.400 0.011226266 -0.650510776 -0.650510775 -0.000000001 6: 1 3.600 0.009423960 -0.618021733 -0.618021730 -0.000000002 6: 1 3.800 0.007832284 -0.585445444 -0.585445443 -0.000000000 6: 1 4.000 0.006444664 -0.552823710 -0.552823708 -0.000000002 6: 1 4.200 0.005250115 -0.520082870 -0.520082869 -0.000000001 6: 1 4.400 0.004234421 -0.487004137 -0.487004136 -0.000000000 6: 1 4.600 0.003381238 -0.453240679 -0.453240679 0.000000000 6: 1 4.800 0.002673091 -0.418441530 -0.418441529 -0.000000001 6: 1 5.000 0.002092223 -0.382520889 -0.382520887 -0.000000001 6: 1 5.200 0.001621280 -0.346003183 -0.346003182 -0.000000001 6: 1 5.400 0.001243837 -0.310216436 -0.310216436 0.000000000 6: 1 5.600 0.000944766 -0.277074102 -0.277074102 -0.000000001 6: 1 5.800 0.000710460 -0.248426892 -0.248426893 0.000000001 6: 1 6.000 0.000528944 -0.225324029 -0.225324030 0.000000001 6: 1 6.200 0.000389881 -0.207630641 -0.207630641 0.000000001 6: 1 6.400 0.000284517 -0.194187231 -0.194187233 0.000000002 6: 1 6.600 0.000205559 -0.183339501 -0.183339503 0.000000002 6: 1 6.800 0.000147033 -0.173510692 -0.173510695 0.000000003 6: 1 7.000 0.000104122 -0.163573430 -0.163573432 0.000000002 6: 1 7.200 0.000072999 -0.152957536 -0.152957538 0.000000003 6: 1 7.400 0.000050669 -0.141563831 -0.141563836 0.000000004 6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 6: 1 8.000 0.000015954 -0.105308033 -0.105308040 0.000000007 6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000012 6: 1 8.600 0.000004589 -0.072448262 -0.072448275 0.000000013 6: 1 8.800 0.000002969 -0.063127570 -0.063127580 0.000000010 6: 1 9.000 0.000001902 -0.054712232 -0.054712227 -0.000000005 6: 1 9.200 0.000001206 -0.047188843 -0.047188796 -0.000000047 6: 1 9.400 0.000000757 -0.040518186 -0.040518098 -0.000000088 6: 1 9.600 0.000000470 -0.034645149 -0.034645055 -0.000000093 6: 1 9.800 0.000000289 -0.029506017 -0.029505927 -0.000000089 7: dr, rMax = 0.200000 20.000000 7: iSpin r dens Vxc dExc/dDens diff 7: 1 0.000 0.047620227 -0.980238765 7: 1 0.200 0.047382720 -0.982776277 -0.982776529 0.000000252 7: 1 0.400 0.046677283 -0.990388812 -0.990388675 -0.000000138 7: 1 0.600 0.045524817 -0.975266071 -0.975266034 -0.000000038 7: 1 0.800 0.043959010 -0.975102121 -0.975102116 -0.000000004 7: 1 1.000 0.042024703 -0.956001234 -0.956001256 0.000000022 7: 1 1.200 0.039775757 -0.943081485 -0.943081490 0.000000005 7: 1 1.400 0.037272568 -0.921422546 -0.921422546 -0.000000000 7: 1 1.600 0.034579382 -0.899005838 -0.899005832 -0.000000007 7: 1 1.800 0.031761587 -0.874045663 -0.874045664 0.000000001 7: 1 2.000 0.028883127 -0.847548881 -0.847548883 0.000000002 7: 1 2.200 0.026004187 -0.819424112 -0.819424107 -0.000000004 7: 1 2.400 0.023179251 -0.789580695 -0.789580689 -0.000000006 7: 1 2.600 0.020455616 -0.758088403 -0.758088405 0.000000002 7: 1 2.800 0.017872394 -0.725194479 -0.725194482 0.000000003 7: 1 3.000 0.015460016 -0.691188323 -0.691188322 -0.000000000 7: 1 3.200 0.013240188 -0.656330566 -0.656330565 -0.000000001 7: 1 3.400 0.011226266 -0.620864165 -0.620864165 -0.000000000 7: 1 3.600 0.009423960 -0.585034090 -0.585034094 0.000000003 7: 1 3.800 0.007832284 -0.549094197 -0.549094195 -0.000000002 7: 1 4.000 0.006444664 -0.513309680 -0.513309679 -0.000000001 7: 1 4.200 0.005250115 -0.477958213 -0.477958215 0.000000001 7: 1 4.400 0.004234421 -0.443329016 -0.443329015 -0.000000001 7: 1 4.600 0.003381238 -0.409718658 -0.409718658 -0.000000000 7: 1 4.800 0.002673091 -0.377422521 -0.377422522 0.000000001 7: 1 5.000 0.002092223 -0.346721404 -0.346721403 -0.000000000 7: 1 5.200 0.001621280 -0.317864014 -0.317864011 -0.000000003 7: 1 5.400 0.001243837 -0.291048148 -0.291048147 -0.000000002 7: 1 5.600 0.000944766 -0.266406479 -0.266406481 0.000000002 7: 1 5.800 0.000710460 -0.244007114 -0.244007114 -0.000000001 7: 1 6.000 0.000528944 -0.223883655 -0.223883656 0.000000001 7: 1 6.200 0.000389881 -0.206110012 -0.206110014 0.000000001 7: 1 6.400 0.000284517 -0.190918393 -0.190918393 -0.000000000 7: 1 6.600 0.000205559 -0.178797194 -0.178797195 0.000000002 7: 1 6.800 0.000147033 -0.170379794 -0.170379797 0.000000004 7: 1 7.000 0.000104122 -0.165839032 -0.165839041 0.000000008 7: 1 7.200 0.000072999 -0.163810071 -0.163810083 0.000000013 7: 1 7.400 0.000050669 -0.160866313 -0.160866325 0.000000012 7: 1 7.600 0.000034818 -0.153027998 -0.153027990 -0.000000007 7: 1 7.800 0.000023687 -0.138670726 -0.138670683 -0.000000044 1/9 Test #8: libgridxc_test_match ............. Passed 0.04 sec 2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.04 sec 1: GGA PW86 0 1 Ex -0.800726114 -0.567576322 0.233149792 2 1: GGA PW86 0 2 Ex -0.758096666 -0.991246461 0.233149796 2 1: GGA PW86 0 3 Ex -0.027993290 -0.135881124 0.107887835 2 1: GGA PW86 0 4 Ex 0.007481053 0.268057684 0.260576631 2 1: GGA B88 0 1 Ex -0.744408155 -0.504583714 0.239824441 2 1: GGA B88 0 2 Ex -0.614410551 -0.854234996 0.239824445 2 1: GGA B88 0 3 Ex -0.085364947 -0.206769296 0.121404349 2 1: GGA B88 0 4 Ex 0.022813314 0.251829759 0.229016446 2 1: GGA C09 0 1 Ex -0.740991407 -0.578123823 0.162867584 2 1: GGA C09 0 2 Ex -0.596315561 -0.759183149 0.162867588 2 1: GGA C09 0 3 Ex -0.095003643 -0.181531838 0.086528195 2 1: GGA C09 0 4 Ex 0.025389203 0.165645972 0.140256770 2 1: GGA BH 0 1 Ex -0.772481092 -0.595843371 0.176637721 2 1: GGA BH 0 2 Ex -0.762743968 -0.939381693 0.176637725 2 1: GGA BH 0 3 Ex -0.006394034 -0.090517106 0.084123072 2 1: GGA BH 0 4 Ex 0.001708771 0.190198587 0.188489816 2 1: 1: iSpin dens gradDens 1: 1 0.112631681 -0.579288333 0.260381194 -0.058482778 1: 2 0.036715151 0.021657715 -0.412597108 -0.442738047 1: 3 -0.054589559 0.090193288 0.486889739 -0.631543659 1: 4 -0.014833093 -0.384926128 -0.145822049 0.342314778 1: GGA PW91 0 1 Ex -0.463831658 -0.446201274 0.017630383 2 1: GGA PW91 0 2 Ex -0.137093205 -0.154723589 0.017630384 2 1: GGA PW91 0 3 Ex 0.234948937 0.285661467 0.050712530 2 1: GGA PW91 0 4 Ex 0.063840404 -0.077678028 0.141518432 2 1: GGA PBE 0 1 Ex -0.547905131 -0.529467213 0.018437918 2 1: GGA PBE 0 2 Ex -0.455273691 -0.473711608 0.018437918 2 1: GGA PBE 0 3 Ex 0.066608806 0.119572555 0.052963748 2 1: GGA PBE 0 4 Ex 0.018098967 -0.129638022 0.147736989 2 1: GGA RPBE 0 1 Ex -0.526450949 -0.503770875 0.022680074 2 1: GGA RPBE 0 2 Ex -0.449379773 -0.472059848 0.022680074 2 1: GGA RPBE 0 3 Ex 0.055419834 0.120572572 0.065152738 2 1: GGA RPBE 0 4 Ex 0.015058696 -0.166681091 0.181739787 2 1: GGA revPBE 0 1 Ex -0.554595369 -0.533045479 0.021549890 2 1: GGA revPBE 0 2 Ex -0.530145453 -0.551695343 0.021549889 2 1: GGA revPBE 0 3 Ex 0.017581284 0.079481116 0.061899832 2 1: GGA revPBE 0 4 Ex 0.004777192 -0.167883244 0.172660437 2 1: GGA LYP 0 1 Ex -0.617923606 -0.571629895 0.046293712 2 1: GGA LYP 0 1 Ec -0.272605267 -0.294517084 0.021911817 2 1: GGA LYP 0 2 Ex -0.691865645 -0.738159357 0.046293712 2 1: GGA LYP 0 2 Ec -0.497157712 -0.475245895 0.021911817 2 1: GGA LYP 0 3 Ex -0.053169755 0.035479438 0.088649193 2 1: GGA LYP 0 3 Ec -0.161469695 -0.152758578 0.008711117 2 1: GGA LYP 0 4 Ex -0.014447304 -0.222232107 0.207784804 2 1: GGA LYP 0 4 Ec -0.043874600 -0.132006626 0.088132026 2 1: GGA WC 0 1 Ex -0.570799523 -0.557798278 0.013001244 2 1: GGA WC 0 2 Ex -0.461631581 -0.474632825 0.013001244 2 1: GGA WC 0 3 Ex 0.078499765 0.115843757 0.037343991 2 1: GGA WC 0 4 Ex 0.021329983 -0.082834911 0.104164893 2 1: GGA PBEJsJrLO 0 1 Ex -0.553829163 -0.539265158 0.014564004 2 1: GGA PBEJsJrLO 0 2 Ex -0.456865191 -0.471429195 0.014564004 2 1: GGA PBEJsJrLO 0 3 Ex 0.069724215 0.111558254 0.041834039 2 1: GGA PBEJsJrLO 0 4 Ex 0.018945487 -0.097744782 0.116690269 2 1: GGA PBEJsJrHEG 0 1 Ex -0.550475693 -0.537786807 0.012688886 2 1: GGA PBEJsJrHEG 0 2 Ex -0.414208241 -0.426897127 0.012688886 2 1: GGA PBEJsJrHEG 0 3 Ex 0.097986303 0.134435709 0.036449406 2 1: GGA PBEJsJrHEG 0 4 Ex 0.026624871 -0.075047054 0.101671925 2 1: GGA PBEGcGxLO 0 1 Ex -0.558123501 -0.545527115 0.012596386 2 1: GGA PBEGcGxLO 0 2 Ex -0.458018722 -0.470615107 0.012596386 2 1: GGA PBEGcGxLO 0 3 Ex 0.071982686 0.108163523 0.036180837 2 1: GGA PBEGcGxLO 0 4 Ex 0.019559160 -0.081361073 0.100920233 2 1: GGA PBEGcGxHEG 0 1 Ex -0.552385207 -0.541173394 0.011211813 2 1: GGA PBEGcGxHEG 0 2 Ex -0.414719334 -0.425931148 0.011211813 2 6: 1 10.000 0.000000176 -0.025033604 -0.025033523 -0.000000081 6: 1 10.200 0.000000106 -0.021160723 -0.021160649 -0.000000073 6: 1 10.400 0.000000063 -0.017822436 -0.017822370 -0.000000066 6: 1 10.600 0.000000037 -0.014957437 -0.014957386 -0.000000051 7: 1 8.000 0.000015954 -0.119748941 -0.119748847 -0.000000094 7: 1 8.200 0.000010638 -0.100010797 -0.100010654 -0.000000143 1: GGA PBEGcGxHEG 0 3 Ex 0.098991870 0.131197708 0.032205838 2 1: GGA PBEGcGxHEG 0 4 Ex 0.026898104 -0.062936278 0.089834382 2 1: GGA PBESOL 0 1 Ex -0.558123501 -0.545527115 0.012596386 2 1: GGA PBESOL 0 2 Ex -0.458018722 -0.470615107 0.012596386 2 1: GGA PBESOL 0 3 Ex 0.071982686 0.108163523 0.036180837 2 1: GGA PBESOL 0 4 Ex 0.019559160 -0.081361073 0.100920233 2 7: 1 8.400 0.000007022 -0.082462504 -0.082462335 -0.000000169 1: GGA AM05 0 1 Ex -0.606567487 -0.582711099 0.023856388 2 1: GGA AM05 0 1 Ec -0.056416072 -0.056796460 0.000380389 2 6: 1 10.800 0.000000022 -0.012508831 -0.012508778 -0.000000053 1: GGA AM05 0 2 Ex -0.611875608 -0.635731996 0.023856388 2 1: GGA AM05 0 2 Ec -0.112106871 -0.111726483 0.000380388 2 1: GGA AM05 0 3 Ex -0.003816929 0.037849130 0.041666059 2 1: GGA AM05 0 3 Ec -0.040045774 -0.041138498 0.001092724 2 1: GGA AM05 0 4 Ex -0.001037137 -0.093329733 0.092292596 2 1: GGA AM05 0 4 Ec -0.010881251 -0.007833171 0.003048080 2 1: GGA PW86 0 1 Ex -0.624559053 -0.600478306 0.024080748 2 1: GGA PW86 0 2 Ex -0.706433791 -0.730514537 0.024080745 2 1: GGA PW86 0 3 Ex -0.058873948 0.003679287 0.062553235 2 1: GGA PW86 0 4 Ex -0.015997249 -0.184585851 0.168588602 2 1: GGA B88 0 1 Ex -0.617801132 -0.571510457 0.046290675 2 1: GGA B88 0 2 Ex -0.691794755 -0.738085419 0.046290664 2 1: GGA B88 0 3 Ex -0.053206847 0.035434457 0.088641304 2 1: GGA B88 0 4 Ex -0.014457382 -0.222220963 0.207763580 2 1: GGA C09 0 1 Ex -0.579342870 -0.567801358 0.011541512 2 1: GGA C09 0 2 Ex -0.537678381 -0.549219892 0.011541511 2 1: GGA C09 0 3 Ex 0.029959826 0.063114966 0.033155140 2 1: GGA C09 0 4 Ex 0.008140694 -0.084343654 0.092484348 2 1: GGA BH 0 1 Ex -0.620141409 -0.603407604 0.016733805 2 1: GGA BH 0 2 Ex -0.698768846 -0.715502649 0.016733803 2 1: GGA BH 0 3 Ex -0.056538900 -0.014992693 0.041546207 2 1: GGA BH 0 4 Ex -0.015362769 -0.125441172 0.110078403 2 1: 1: iSpin dens gradDens 1: 1 0.604275099 -2.500741140 -4.069209178 -4.021472363 1: 2 0.321702273 4.378959157 -1.958242288 2.303690272 1: 3 -0.074242078 2.458062236 -1.213636652 -2.852287588 1: 4 0.070453122 -0.288434037 4.154526799 -4.322517088 1: GGA PW91 0 1 Ex -1.038249674 -1.188650051 0.150400377 2 6: 1 11.000 0.000000013 -0.010424505 -0.010424499 -0.000000007 1: GGA PW91 0 2 Ex -1.605502261 -1.455101892 0.150400369 2 1: GGA PW91 0 3 Ex -0.149037724 -0.398414385 0.249376661 2 1: GGA PW91 0 4 Ex 0.141431560 0.180255800 0.038824240 2 1: GGA PBE 0 1 Ex -0.987156220 -1.095097169 0.107940949 2 1: GGA PBE 0 2 Ex -1.195557140 -1.087616199 0.107940941 2 1: GGA PBE 0 3 Ex -0.054754442 -0.328997935 0.274243493 2 7: 1 8.600 0.000004589 -0.068350286 -0.068350135 -0.000000151 1: GGA PBE 0 4 Ex 0.051960040 -0.020567857 0.072527897 2 1: GGA RPBE 0 1 Ex -0.942609276 -1.101803819 0.159194542 2 1: GGA RPBE 0 2 Ex -1.401682797 -1.242488264 0.159194534 2 1: GGA RPBE 0 3 Ex -0.120615180 -0.475655509 0.355040329 2 1: GGA RPBE 0 4 Ex 0.114459565 0.059573346 0.054886219 2 1: GGA revPBE 0 1 Ex -0.942160603 -1.064833100 0.122672496 2 1: GGA revPBE 0 2 Ex -1.255585785 -1.132913298 0.122672487 2 1: GGA revPBE 0 3 Ex -0.082348105 -0.427877722 0.345529617 2 1: GGA revPBE 0 4 Ex 0.078145456 -0.039959735 0.118105191 2 6: 1 11.200 0.000000007 -0.008657220 -0.008657193 -0.000000027 1: GGA LYP 0 1 Ex -0.939122773 -0.980114072 0.040991299 2 1: GGA LYP 0 1 Ec -0.091782714 -0.168404416 0.076621702 2 1: GGA LYP 0 2 Ex -0.816822957 -0.775831657 0.040991300 2 1: GGA LYP 0 2 Ec -0.265403074 -0.188781372 0.076621702 2 1: GGA LYP 0 3 Ex 0.032132575 -0.285008948 0.317141523 2 1: GGA LYP 0 3 Ec -0.045616334 -0.105983664 0.060367330 2 1: GGA LYP 0 4 Ex -0.030492684 -0.282486230 0.251993547 2 1: GGA LYP 0 4 Ec 0.043288297 0.133331282 0.090042985 2 1: GGA WC 0 1 Ex -1.018705365 -1.093373906 0.074668541 2 1: GGA WC 0 2 Ex -1.176515476 -1.101846943 0.074668533 2 1: GGA WC 0 3 Ex -0.041462411 -0.245864264 0.204401854 2 1: GGA WC 0 4 Ex 0.039346370 -0.026308173 0.065654542 2 1: GGA PBEJsJrLO 0 1 Ex -0.978336701 -1.061990480 0.083653779 2 1: GGA PBEJsJrLO 0 2 Ex -1.123121963 -1.039468193 0.083653770 2 1: GGA PBEJsJrLO 0 3 Ex -0.038040313 -0.269070396 0.231030083 2 1: GGA PBEJsJrLO 0 4 Ex 0.036098919 -0.039596953 0.075695873 2 1: GGA PBEJsJrHEG 0 1 Ex -1.004975610 -1.079256548 0.074280938 2 1: GGA PBEJsJrHEG 0 2 Ex -1.085594611 -1.011313681 0.074280930 2 1: GGA PBEJsJrHEG 0 3 Ex -0.021181521 -0.209773412 0.188591891 2 1: GGA PBEJsJrHEG 0 4 Ex 0.020100518 -0.029671102 0.049771621 2 7: 1 8.800 0.000002969 -0.057583471 -0.057583442 -0.000000030 1: GGA PBEGcGxLO 0 1 Ex -0.978470289 -1.048338511 0.069868223 2 6: 1 11.400 0.000000004 -0.007164525 -0.007164525 0.000000001 1: GGA PBEGcGxLO 0 2 Ex -1.079901972 -1.010033758 0.069868214 2 1: GGA PBEGcGxLO 0 3 Ex -0.026649764 -0.233150729 0.206500965 2 1: GGA PBEGcGxLO 0 4 Ex 0.025289689 -0.052203395 0.077493084 2 1: GGA PBEGcGxHEG 0 1 Ex -1.000377930 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-0.045221722 0.058016767 2 6: 2 10.800 0.000000015 -0.010928714 -0.010928684 -0.000000030 1: GGA WC 0 4 Ex 0.009367358 0.013911171 0.004543812 2 1: GGA PBEJsJrLO 0 1 Ex -0.236165142 -0.324137716 0.087972574 2 7: 2 4.400 0.002822947 -0.412572354 -0.412572352 -0.000000002 1: GGA PBEJsJrLO 0 2 Ex -0.225291860 -0.137319286 0.087972574 2 1: GGA PBEJsJrLO 0 3 Ex 0.010131316 -0.039946890 0.050078206 2 1: GGA PBEJsJrLO 0 4 Ex 0.007417220 0.011338216 0.003920996 2 1: GGA PBEJsJrHEG 0 1 Ex -0.215677479 -0.270490219 0.054812740 2 1: GGA PBEJsJrHEG 0 2 Ex -0.221976611 -0.167163871 0.054812740 2 1: GGA PBEJsJrHEG 0 3 Ex -0.005869295 -0.037073367 0.031204072 2 1: GGA PBEJsJrHEG 0 4 Ex -0.004296959 -0.001851140 0.002445819 2 1: GGA PBEGcGxLO 0 1 Ex -0.232889570 -0.323029015 0.090139444 2 1: GGA PBEGcGxLO 0 2 Ex -0.218176688 -0.128037244 0.090139444 2 1: GGA PBEGcGxLO 0 3 Ex 0.013708912 -0.037600095 0.051309007 2 1: GGA PBEGcGxLO 0 4 Ex 0.010036407 0.014050312 0.004013905 2 1: GGA PBEGcGxHEG 0 1 Ex -0.213084507 -0.271328742 0.058244235 2 1: GGA PBEGcGxHEG 0 2 Ex -0.216191904 -0.157947669 0.058244235 2 1: GGA PBEGcGxHEG 0 3 Ex -0.002895356 -0.036051894 0.033156538 2 1: GGA PBEGcGxHEG 0 4 Ex -0.002119714 0.000477812 0.002597526 2 6: 2 11.000 0.000000008 -0.009107337 -0.009107286 -0.000000051 1: GGA PBESOL 0 1 Ex -0.232889570 -0.323029015 0.090139444 2 1: GGA PBESOL 0 2 Ex -0.218176688 -0.128037244 0.090139444 2 1: GGA PBESOL 0 3 Ex 0.013708912 -0.037600095 0.051309007 2 1: GGA PBESOL 0 4 Ex 0.010036407 0.014050312 0.004013905 2 1: GGA AM05 0 1 Ex -0.203523281 -0.363611999 0.160088718 2 1: GGA AM05 0 1 Ec -0.039879170 -0.039119764 0.000759406 2 1: GGA AM05 0 2 Ex -0.180694477 -0.020605759 0.160088718 2 1: GGA AM05 0 2 Ec -0.031314265 -0.032073671 0.000759406 2 1: GGA AM05 0 3 Ex 0.021271023 -0.063153191 0.084424215 2 1: GGA AM05 0 3 Ec 0.007980457 0.008412799 0.000432342 2 1: GGA AM05 0 4 Ex 0.015572691 0.013548149 0.002024542 2 1: GGA AM05 0 4 Ec 0.005842558 0.005808641 0.000033918 2 1: GGA PW86 0 1 Ex -0.279553578 -0.394332714 0.114779136 2 7: 2 4.600 0.002254159 -0.381911080 -0.381911077 -0.000000003 1: GGA PW86 0 2 Ex -0.250366219 -0.135587085 0.114779134 2 1: GGA PW86 0 3 Ex 0.027195686 -0.035730676 0.062926362 2 1: GGA PW86 0 4 Ex 0.019910185 0.021732151 0.001821965 2 1: GGA B88 0 1 Ex -0.239367578 -0.488229482 0.248861903 2 1: GGA B88 0 2 Ex -0.205663769 0.043198130 0.248861899 2 1: GGA B88 0 3 Ex 0.031403945 -0.099743935 0.131147880 2 1: GGA B88 0 4 Ex 0.022991087 0.019718664 0.003272423 2 1: GGA C09 0 1 Ex -0.258829169 -0.435577318 0.176748149 2 1: GGA C09 0 2 Ex -0.196386645 -0.019638497 0.176748148 2 1: GGA C09 0 3 Ex 0.058181600 -0.042459121 0.100640722 2 6: 2 11.200 0.000000005 -0.007563161 -0.007563175 0.000000014 1: GGA C09 0 4 Ex 0.042595229 0.050510158 0.007914930 2 1: GGA BH 0 1 Ex -0.271310747 -0.414434675 0.143123928 2 1: GGA BH 0 2 Ex -0.233306234 -0.090182308 0.143123926 2 1: GGA BH 0 3 Ex 0.035411179 -0.043706428 0.079117608 2 1: GGA BH 0 4 Ex 0.025924816 0.029086660 0.003161844 2 1: 1: iSpin dens gradDens 1: 1 1.039599711 8.101082428 0.168588396 -5.709490021 1: 2 1.325057547 -4.554991028 -4.819033276 9.863722490 1: 3 -0.100198453 9.118668440 0.591468414 -11.535582294 1: 4 0.287203168 0.194739712 2.777693808 9.826945331 1: GGA PW91 0 1 Ex -1.276559787 -1.092351453 0.184208334 2 1: GGA PW91 0 2 Ex -1.289278297 -1.473486616 0.184208319 2 1: GGA PW91 0 3 Ex 0.004464320 0.692526836 0.688062516 2 1: GGA PW91 0 4 Ex -0.012796273 0.318797050 0.331593322 2 1: GGA PBE 0 1 Ex -1.305762718 -1.129665190 0.176097528 2 1: GGA PBE 0 2 Ex -1.296663609 -1.472761122 0.176097513 2 1: GGA PBE 0 3 Ex -0.003193875 0.652605439 0.655799314 2 1: GGA PBE 0 4 Ex 0.009154742 0.325461432 0.316306690 2 1: GGA RPBE 0 1 Ex -1.285208206 -1.047682569 0.237525638 2 1: GGA RPBE 0 2 Ex -1.223383602 -1.460909224 0.237525622 2 1: GGA RPBE 0 3 Ex -0.021701032 0.863010910 0.884711942 2 1: GGA RPBE 0 4 Ex 0.062202609 0.488898953 0.426696344 2 6: 2 11.400 0.000000003 -0.006258998 -0.006258990 -0.000000008 1: GGA revPBE 0 1 Ex -1.194789398 -0.947341151 0.247448247 2 1: GGA revPBE 0 2 Ex -1.200451347 -1.447899578 0.247448231 2 7: 2 4.800 0.001782061 -0.352568553 -0.352568554 0.000000002 1: GGA revPBE 0 3 Ex 0.001987399 0.928224903 0.926237504 2 1: GGA revPBE 0 4 Ex -0.005696568 0.440418227 0.446114795 2 1: GGA LYP 0 1 Ex -1.106489751 -0.865668971 0.240820780 2 1: GGA LYP 0 1 Ec -0.042757908 -0.048833885 0.006075977 2 1: GGA LYP 0 2 Ex -1.203277913 -1.444098693 0.240820780 2 1: GGA LYP 0 2 Ec -0.064778138 -0.058702161 0.006075977 2 1: GGA LYP 0 3 Ex 0.033973578 0.940853741 0.906880162 2 1: GGA LYP 0 3 Ec 0.007729313 -0.021487985 0.029217298 2 1: GGA LYP 0 4 Ex -0.097379939 0.338687950 0.436067889 2 1: GGA LYP 0 4 Ec -0.022154864 -0.035367621 0.013212757 2 1: GGA WC 0 1 Ex -1.193265414 -1.027763718 0.165501696 2 1: GGA WC 0 2 Ex -1.273872213 -1.439373895 0.165501682 2 1: GGA WC 0 3 Ex 0.028293764 0.650725070 0.622431306 2 1: GGA WC 0 4 Ex -0.081099640 0.218300014 0.299399654 2 1: GGA PBEJsJrLO 0 1 Ex -1.224226104 -1.061410704 0.162815400 2 1: GGA PBEJsJrLO 0 2 Ex -1.258327790 -1.421143176 0.162815386 2 1: GGA PBEJsJrLO 0 3 Ex 0.011970021 0.620955990 0.608985969 2 1: GGA PBEJsJrLO 0 4 Ex -0.034310189 0.259063715 0.293373905 2 1: GGA PBEJsJrHEG 0 1 Ex -1.287473876 -1.166499165 0.120974711 2 6: 2 11.600 0.000000002 -0.005161710 -0.005161565 -0.000000145 1: GGA PBEJsJrHEG 0 2 Ex -1.314427759 -1.435402456 0.120974697 2 6: avgDiffVxc, maxDiffVxc = 0.000000027 0.000000145 1: GGA PBEJsJrHEG 0 3 Ex 0.009461073 0.459957487 0.450496414 2 1: GGA PBEJsJrHEG 0 4 Ex -0.027118683 0.190168720 0.217287403 2 1: GGA PBEGcGxLO 0 1 Ex -1.190923711 -1.038049563 0.152874148 2 1: GGA PBEGcGxLO 0 2 Ex -1.247558971 -1.400433106 0.152874134 2 1: GGA PBEGcGxLO 0 3 Ex 0.019879523 0.593001942 0.573122419 2 1: GGA PBEGcGxLO 0 4 Ex -0.056981537 0.218939997 0.275921534 2 1: GGA PBEGcGxHEG 0 1 Ex -1.254564006 -1.137943401 0.116620605 2 1: GGA PBEGcGxHEG 0 2 Ex -1.297690682 -1.414311274 0.116620592 2 7: 2 5.000 0.001394815 -0.324805491 -0.324805492 0.000000001 1: GGA PBEGcGxHEG 0 3 Ex 0.015137879 0.450461851 0.435323972 2 1: GGA PBEGcGxHEG 0 4 Ex -0.043390359 0.166439911 0.209830270 2 1: GGA PBESOL 0 1 Ex -1.190923711 -1.038049563 0.152874148 2 1: GGA PBESOL 0 2 Ex -1.247558971 -1.400433106 0.152874134 2 3/9 Test #6: libgridxc_test_libxc ............. Passed 0.09 sec 1: GGA PBESOL 0 3 Ex 0.019879523 0.593001942 0.573122419 2 1: GGA PBESOL 0 4 Ex -0.056981537 0.218939997 0.275921534 2 1: GGA AM05 0 1 Ex -1.047562842 -0.912681364 0.134881478 2 1: GGA AM05 0 1 Ec -0.082016471 -0.083576715 0.001560244 2 1: GGA AM05 0 2 Ex -1.180443347 -1.315324826 0.134881478 2 1: GGA AM05 0 2 Ec -0.073698752 -0.072138508 0.001560244 2 1: GGA AM05 0 3 Ex 0.046642339 0.557321046 0.510678707 2 1: GGA AM05 0 3 Ec -0.002919599 -0.008645527 0.005725927 2 1: GGA AM05 0 4 Ex -0.133692957 0.111501775 0.245194732 2 1: GGA AM05 0 4 Ec 0.008368575 0.005595551 0.002773023 2 1: GGA PW86 0 1 Ex -1.314152562 -1.136502669 0.177649893 2 1: GGA PW86 0 2 Ex -1.342208684 -1.519858561 0.177649877 2 1: GGA PW86 0 3 Ex 0.009847969 0.673310808 0.663462839 2 1: GGA PW86 0 4 Ex -0.028227662 0.291524117 0.319751778 2 1: GGA B88 0 1 Ex -1.105369804 -0.864691045 0.240678759 2 1: GGA B88 0 2 Ex -1.201906218 -1.442584962 0.240678744 2 1: GGA B88 0 3 Ex 0.033885212 0.940234650 0.906349438 2 1: GGA B88 0 4 Ex -0.097126652 0.338685487 0.435812139 2 1: GGA C09 0 1 Ex -0.975226365 -0.767001177 0.208225188 2 1: GGA C09 0 2 Ex -1.134894765 -1.343119939 0.208225174 2 1: GGA C09 0 3 Ex 0.056045148 0.844944912 0.788899764 2 1: GGA C09 0 4 Ex -0.160644637 0.218063891 0.378708527 2 1: GGA BH 0 1 Ex -1.073094889 -0.861639648 0.211455241 2 1: GGA BH 0 2 Ex -1.147605480 -1.359060707 0.211455227 2 1: GGA BH 0 3 Ex 0.026153936 0.823403614 0.797249678 2 1: GGA BH 0 4 Ex -0.074966160 0.308260668 0.383226828 2 1: 1: iSpin dens gradDens 1: 1 0.002175063 0.010976129 -0.012124964 0.007756220 1: 2 0.000811953 0.006809113 -0.003894867 -0.001061923 1: 3 -0.000959782 0.013094576 0.009155558 0.001412265 1: 4 0.000061716 -0.014332024 -0.000323944 -0.004509187 1: GGA PW91 0 1 Ex -0.339903985 -0.350858927 0.010954942 2 1: GGA PW91 0 2 Ex -0.091854526 -0.080899597 0.010954928 2 1: GGA PW91 0 3 Ex 0.174654553 0.166690520 0.007964034 2 7: 2 5.200 0.001080853 -0.298841517 -0.298841517 -0.000000000 1: GGA PW91 0 4 Ex -0.011230619 -0.014104238 0.002873619 2 1: GGA PBE 0 1 Ex -0.251681716 -0.250539257 0.001142458 2 1: GGA PBE 0 2 Ex -0.178782918 -0.179925398 0.001142480 2 1: GGA PBE 0 3 Ex 0.051328904 0.052159783 0.000830879 2 1: GGA PBE 0 4 Ex -0.003300546 -0.002995864 0.000304682 2 1: GGA RPBE 0 1 Ex -0.277159936 -0.277157509 0.000002427 2 1: GGA RPBE 0 2 Ex -0.185633377 -0.185635826 0.000002449 2 1: GGA RPBE 0 3 Ex 0.064444931 0.064446706 0.000001775 2 1: GGA revPBE 0 1 Ex -0.288057183 -0.285549041 0.002508143 2 1: GGA revPBE 0 2 Ex -0.215718691 -0.218226860 0.002508169 2 1: GGA revPBE 0 3 Ex 0.050934387 0.052758440 0.001824053 2 1: GGA revPBE 0 4 Ex -0.003275178 -0.002606894 0.000668283 2 1: GGA LYP 0 1 Ex -0.210438411 -0.126169827 0.084268584 2 1: GGA LYP 0 1 Ec -0.503664941 -0.707408381 0.203743440 2 1: GGA LYP 0 2 Ex -0.286014387 -0.370282971 0.084268584 2 1: GGA LYP 0 2 Ec -0.869087036 -0.665343595 0.203743441 2 1: GGA LYP 0 3 Ex -0.053213937 -0.000559632 0.052654306 2 1: GGA LYP 0 3 Ec -0.257298012 -0.373846009 0.116547997 2 1: GGA LYP 0 4 Ex 0.003421757 -0.108332909 0.111754666 2 1: GGA LYP 0 4 Ec 0.016544750 0.454061762 0.437517012 2 1: GGA WC 0 1 Ex -0.250059474 -0.248896941 0.001162533 2 1: GGA WC 0 2 Ex -0.178318596 -0.179481150 0.001162554 2 1: GGA WC 0 3 Ex 0.050513599 0.051358928 0.000845329 2 1: GGA WC 0 4 Ex -0.003248120 -0.002940396 0.000307724 2 1: GGA PBEJsJrLO 0 1 Ex -0.242335522 -0.240794617 0.001540905 2 1: GGA PBEJsJrLO 0 2 Ex -0.176266558 -0.177807484 0.001540926 2 1: GGA PBEJsJrLO 0 3 Ex 0.046519938 0.047640572 0.001120634 2 1: GGA PBEJsJrLO 0 4 Ex -0.002991320 -0.002580687 0.000410633 2 7: 2 5.400 0.000829225 -0.274842954 -0.274842954 -0.000000000 1: GGA PBEJsJrHEG 0 1 Ex -0.221019654 -0.220237972 0.000781681 2 1: GGA PBEJsJrHEG 0 2 Ex -0.155017474 -0.155799173 0.000781700 2 1: GGA PBEJsJrHEG 0 3 Ex 0.046472914 0.047041411 0.000568497 2 1: GGA PBEJsJrHEG 0 4 Ex -0.002988296 -0.002779833 0.000208464 2 1: GGA PBEGcGxLO 0 1 Ex -0.236220607 -0.234426157 0.001794450 2 1: GGA PBEGcGxLO 0 2 Ex -0.174618854 -0.176413325 0.001794471 2 1: GGA PBEGcGxLO 0 3 Ex 0.043374522 0.044679529 0.001305007 2 1: GGA PBEGcGxLO 0 4 Ex -0.002789064 -0.002311140 0.000477924 2 1: GGA PBEGcGxHEG 0 1 Ex -0.217714326 -0.216790625 0.000923701 2 1: GGA PBEGcGxHEG 0 2 Ex -0.154127751 -0.155051471 0.000923720 2 1: GGA PBEGcGxHEG 0 3 Ex 0.044772058 0.045443835 0.000671777 2 1: GGA PBEGcGxHEG 0 4 Ex -0.002878928 -0.002632681 0.000246248 2 1: GGA PBESOL 0 1 Ex -0.236220607 -0.234426157 0.001794450 2 1: GGA PBESOL 0 2 Ex -0.174618854 -0.176413325 0.001794471 2 1: GGA PBESOL 0 3 Ex 0.043374522 0.044679529 0.001305007 2 1: GGA PBESOL 0 4 Ex -0.002789064 -0.002311140 0.000477924 2 1: GGA AM05 0 1 Ex -0.178012438 -0.126604124 0.051408314 2 1: GGA AM05 0 1 Ec -0.025971342 -0.025976834 0.000005492 2 1: GGA AM05 0 2 Ex -0.243816929 -0.295225243 0.051408314 2 1: GGA AM05 0 2 Ec -0.046836598 -0.046831106 0.000005492 2 1: GGA AM05 0 3 Ex -0.046333719 -0.014089729 0.032243990 2 1: GGA AM05 0 3 Ec -0.014691473 -0.014695467 0.000003993 2 1: GGA AM05 0 4 Ex 0.002979346 -0.063298612 0.066277958 2 1: GGA AM05 0 4 Ec 0.000944690 0.000943236 0.000001454 2 1: GGA PW86 0 1 Ex -0.251753838 -0.236886283 0.014867556 2 1: GGA PW86 0 2 Ex -0.290552477 -0.305420066 0.014867588 2 1: GGA PW86 0 3 Ex -0.027318580 -0.017612509 0.009706071 2 1: GGA PW86 0 4 Ex 0.001756636 -0.011487242 0.013243879 2 1: GGA B88 0 1 Ex -0.210435344 -0.126167108 0.084268235 2 1: GGA B88 0 2 Ex -0.286011507 -0.370279815 0.084268308 2 7: 2 5.600 0.000629844 -0.252923338 -0.252923338 -0.000000000 1: GGA B88 0 3 Ex -0.053214069 -0.000559977 0.052654092 2 1: GGA B88 0 4 Ex 0.003421766 -0.108332536 0.111754302 2 1: GGA C09 0 1 Ex -0.297612626 -0.295410074 0.002202553 2 1: GGA C09 0 2 Ex -0.218370374 -0.220572952 0.002202579 2 1: GGA C09 0 3 Ex 0.055795406 0.057397647 0.001602241 2 1: GGA C09 0 4 Ex -0.003587750 -0.002994244 0.000593507 2 1: GGA BH 0 1 Ex 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0.031076196 -0.019476547 0.050552743 2 1: GGA PBE 0 1 Ex -0.720046901 -0.657737937 0.062308964 2 1: GGA PBE 0 2 Ex -0.723317623 -0.785626587 0.062308964 2 1: GGA PBE 0 3 Ex 0.021935815 0.022326020 0.000390205 2 1: GGA PBE 0 4 Ex 0.002198508 -0.048043353 0.050241861 2 1: GGA RPBE 0 1 Ex -0.688420556 -0.601040105 0.087380451 2 1: GGA RPBE 0 2 Ex -0.685974106 -0.773354557 0.087380451 2 1: GGA RPBE 0 3 Ex -0.016407655 -0.015865014 0.000542641 2 7: 2 10.600 0.000000025 -0.023159554 -0.023161332 0.000001778 1: GGA RPBE 0 4 Ex -0.001644451 -0.072056688 0.070412237 2 1: GGA revPBE 0 1 Ex -0.780533852 -0.697925047 0.082608805 2 1: GGA revPBE 0 2 Ex -0.766904457 -0.849513261 0.082608805 2 1: GGA revPBE 0 3 Ex -0.091408544 -0.090887755 0.000520788 2 1: GGA revPBE 0 4 Ex -0.009161385 -0.075806195 0.066644810 2 1: GGA LYP 0 1 Ex -0.714189180 -0.659700194 0.054488986 2 1: GGA LYP 0 1 Ec -0.745679568 -0.628876484 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 0.002907382 2 1: GGA LYP 0 4 Ex -0.000193038 -0.069521344 0.069328306 2 1: GGA LYP 0 4 Ec -0.042940542 -0.100815864 0.057875322 2 1: GGA WC 0 1 Ex -0.717043749 -0.664913868 0.052129881 2 1: GGA WC 0 2 Ex -0.720211114 -0.772340995 0.052129881 2 1: GGA WC 0 3 Ex 0.021242634 0.021571362 0.000328728 2 1: GGA WC 0 4 Ex 0.002129035 -0.039927729 0.042056763 2 1: GGA PBEJsJrLO 0 1 Ex -0.711123760 -0.656238361 0.054885399 2 1: GGA PBEJsJrLO 0 2 Ex -0.713264809 -0.768150209 0.054885400 2 1: GGA PBEJsJrLO 0 3 Ex 0.014359416 0.014704970 0.000345554 2 1: GGA PBEJsJrLO 0 4 Ex 0.001439167 -0.042835165 0.044274331 2 1: GGA PBEJsJrHEG 0 1 Ex -0.677035405 -0.634211009 0.042824396 2 1: GGA PBEJsJrHEG 0 2 Ex -0.688930438 -0.731754834 0.042824396 2 1: GGA PBEJsJrHEG 0 3 Ex 0.079776656 0.080044829 0.000268173 2 1: GGA PBEJsJrHEG 0 4 Ex 0.007995584 -0.026535092 0.034530676 2 1: GGA PBEGcGxLO 0 1 Ex -0.709464318 -0.659509812 0.049954506 2 1: GGA PBEGcGxLO 0 2 Ex -0.711554197 -0.761508703 0.049954506 2 1: GGA PBEGcGxLO 0 3 Ex 0.014016237 0.014332216 0.000315979 2 1: GGA PBEGcGxLO 0 4 Ex 0.001404772 -0.038906632 0.040311404 2 7: 2 10.800 0.000000015 -0.021608555 -0.021610227 0.000001672 1: GGA PBEGcGxHEG 0 1 Ex -0.672907041 -0.632636848 0.040270192 2 1: GGA PBEGcGxHEG 0 2 Ex -0.684244082 -0.724514274 0.040270192 2 1: GGA PBEGcGxHEG 0 3 Ex 0.076034364 0.076287173 0.000252809 2 1: GGA PBEGcGxHEG 0 4 Ex 0.007620514 -0.024856922 0.032477436 2 1: GGA PBESOL 0 1 Ex -0.709464318 -0.659509812 0.049954506 2 1: GGA PBESOL 0 2 Ex -0.711554197 -0.761508703 0.049954506 2 1: GGA PBESOL 0 3 Ex 0.014016237 0.014332216 0.000315979 2 1: GGA PBESOL 0 4 Ex 0.001404772 -0.038906632 0.040311404 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 0.037947475 2 1: GGA AM05 0 4 Ec -0.003767430 -0.003293314 0.000474116 2 1: GGA PW86 0 1 Ex -0.808387054 -0.754715332 0.053671722 2 1: GGA PW86 0 2 Ex -0.805972673 -0.859644392 0.053671720 2 1: GGA PW86 0 3 Ex -0.016192579 -0.015240064 0.000952515 2 1: GGA PW86 0 4 Ex -0.001622895 -0.051050443 0.049427549 2 1: GGA B88 0 1 Ex -0.713998375 -0.659524148 0.054474227 2 1: GGA B88 0 2 Ex -0.713698711 -0.768172929 0.054474218 2 1: GGA B88 0 3 Ex -0.002009762 0.000876145 0.002885907 2 1: GGA B88 0 4 Ex -0.000201428 -0.069516501 0.069315074 2 1: GGA C09 0 1 Ex -0.785330258 -0.729031193 0.056299065 2 1: GGA C09 0 2 Ex -0.770881198 -0.827180263 0.056299064 2 1: GGA C09 0 3 Ex -0.096905803 -0.096556181 0.000349623 2 1: GGA C09 0 4 Ex -0.009712346 -0.055078827 0.045366481 2 1: GGA BH 0 1 Ex -0.735527560 -0.670819027 0.064708533 2 1: GGA BH 0 2 Ex -0.721882842 -0.786591373 0.064708531 2 1: GGA BH 0 3 Ex -0.091511306 -0.090504576 0.001006730 2 1: GGA BH 0 4 Ex -0.009171685 -0.067349891 0.058178207 2 7: 2 11.000 0.000000008 -0.020221667 -0.020223270 0.000001603 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 -2.489476589 1.387443489 2 1: GGA PW91 0 2 Ex -0.969458784 0.417984714 1.387443498 2 1: GGA PW91 0 3 Ex 0.034961174 -0.503281500 0.538242673 2 1: GGA PW91 0 4 Ex -0.044134296 1.613354167 1.657488464 2 1: GGA PBE 0 1 Ex -1.040397143 -2.499409642 1.459012499 2 1: GGA PBE 0 2 Ex -0.980374308 0.478638200 1.459012508 2 1: GGA PBE 0 3 Ex 0.015828622 -0.795967931 0.811796554 2 1: GGA PBE 0 4 Ex -0.019981741 1.528302341 1.548284082 2 1: GGA RPBE 0 1 Ex -1.196365778 -2.734500097 1.538134320 2 1: GGA RPBE 0 2 Ex -1.038871592 0.499262737 1.538134329 2 1: GGA RPBE 0 3 Ex 0.041532793 -0.519438197 0.560970990 2 1: GGA RPBE 0 4 Ex -0.052430179 1.813382854 1.865813032 2 1: GGA revPBE 0 1 Ex -0.998141979 -3.573990437 2.575848458 2 1: GGA revPBE 0 2 Ex -0.904651480 1.671196988 2.575848468 2 1: GGA revPBE 0 3 Ex 0.024654380 -1.514345918 1.539000298 2 1: GGA revPBE 0 4 Ex -0.031123203 2.618526238 2.649649441 2 1: GGA LYP 0 1 Ex -0.745512341 -4.423523267 3.678010926 2 1: GGA LYP 0 1 Ec -0.194810371 0.315311267 0.510121638 2 1: GGA LYP 0 2 Ex -0.749911503 2.928099423 3.678010926 2 1: GGA LYP 0 2 Ec -0.118532943 -0.628654582 0.510121638 2 1: GGA LYP 0 3 Ex -0.001160103 -2.670384583 2.669224480 2 1: GGA LYP 0 3 Ec 0.020115121 0.637142708 0.617027587 2 1: GGA LYP 0 4 Ex 0.001464491 3.411186249 3.409721758 2 1: GGA LYP 0 4 Ec -0.025392932 -0.302785029 0.277392097 2 1: GGA WC 0 1 Ex -0.949011903 -2.786543226 1.837531323 2 1: GGA WC 0 2 Ex -0.861175119 0.976356212 1.837531331 2 1: GGA WC 0 3 Ex 0.023163439 -0.992257981 1.015421420 2 1: GGA WC 0 4 Ex -0.029241068 1.926254067 1.955495135 2 7: 2 11.200 0.000000005 -0.018978407 -0.018979872 0.000001465 1: GGA PBEJsJrLO 0 1 Ex -0.949495843 -2.589487144 1.639991301 2 1: GGA PBEJsJrLO 0 2 Ex -0.894735445 0.745255864 1.639991310 2 1: GGA PBEJsJrLO 0 3 Ex 0.014440865 -0.954857524 0.969298389 2 1: GGA PBEJsJrLO 0 4 Ex -0.018229863 1.677108153 1.695338016 2 1: GGA PBEJsJrHEG 0 1 Ex -0.971172900 -1.971259040 1.000086140 2 1: GGA PBEJsJrHEG 0 2 Ex -0.936651165 0.063434983 1.000086148 2 1: GGA PBEJsJrHEG 0 3 Ex 0.009103727 -0.546985493 0.556089220 2 1: GGA PBEJsJrHEG 0 4 Ex -0.011492365 1.050070573 1.061562938 2 1: GGA PBEGcGxLO 0 1 Ex -0.902610483 -2.605605690 1.702995207 2 1: GGA PBEGcGxLO 0 2 Ex -0.854821526 0.848173690 1.702995215 2 1: GGA PBEGcGxLO 0 3 Ex 0.012602426 -1.028457726 1.041060152 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 0.171272555 1.074554734 2 1: GGA PBEGcGxHEG 0 3 Ex 0.008818957 -0.608519700 0.617338657 2 1: GGA PBEGcGxHEG 0 4 Ex -0.011132877 1.113758558 1.124891435 2 1: GGA PBESOL 0 1 Ex -0.902610483 -2.605605690 1.702995207 2 1: GGA PBESOL 0 2 Ex -0.854821526 0.848173690 1.702995215 2 1: GGA PBESOL 0 3 Ex 0.012602426 -1.028457726 1.041060152 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 -1.774182236 1.769604795 2 1: GGA AM05 0 3 Ec 0.000587873 0.003793604 0.003205731 2 7: 2 11.400 0.000000003 -0.017861495 -0.017862944 0.000001448 1: GGA AM05 0 4 Ex 0.005778471 2.204136473 2.198358002 2 1: GGA AM05 0 4 Ec -0.000742119 -0.008610031 0.007867912 2 1: GGA PW86 0 1 Ex -0.960317271 -2.927100843 1.966783572 2 1: GGA PW86 0 2 Ex -0.945733471 1.021050110 1.966783581 2 1: GGA PW86 0 3 Ex 0.003845894 -1.327218608 1.331064502 2 1: GGA PW86 0 4 Ex -0.004854981 1.894731505 1.899586486 2 1: GGA B88 0 1 Ex -0.745168927 -4.422308984 3.677140057 2 1: GGA B88 0 2 Ex -0.749558080 2.927581987 3.677140067 2 1: GGA B88 0 3 Ex -0.001157463 -2.669774147 2.668616683 2 1: GGA B88 0 4 Ex 0.001461159 3.410356320 3.408895161 2 1: GGA C09 0 1 Ex -0.644834650 -4.233523433 3.588688783 2 1: GGA C09 0 2 Ex -0.624336394 2.964352399 3.588688792 2 1: GGA C09 0 3 Ex 0.005405595 -2.534258571 2.539664166 2 1: GGA C09 0 4 Ex -0.006823917 3.371372847 3.378196764 2 1: GGA BH 0 1 Ex -0.938332010 -3.302348188 2.364016178 2 1: GGA BH 0 2 Ex -0.819800819 1.544215369 2.364016188 2 1: GGA BH 0 3 Ex 0.031257861 -1.273031927 1.304289788 2 1: GGA BH 0 4 Ex -0.039459307 2.477957265 2.517416572 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 0.093234775 2 1: GGA PW91 0 2 Ex -0.154150782 -0.247385549 0.093234766 2 1: GGA PW91 0 3 Ex -0.319526477 -0.395101877 0.075575399 2 1: GGA PW91 0 4 Ex -0.017867151 -0.015316504 0.002550648 2 1: GGA PBE 0 1 Ex -0.730473123 -0.633370919 0.097102204 2 1: GGA PBE 0 2 Ex -0.454846906 -0.551949100 0.097102194 2 1: GGA PBE 0 3 Ex -0.170336791 -0.249047332 0.078710541 2 1: GGA PBE 0 4 Ex -0.009524823 -0.006864199 0.002660625 2 1: GGA RPBE 0 1 Ex -0.694947651 -0.573607208 0.121340443 2 1: GGA RPBE 0 2 Ex -0.446780199 -0.568120632 0.121340433 2 1: GGA RPBE 0 3 Ex -0.153367295 -0.251725214 0.098357919 2 1: GGA RPBE 0 4 Ex -0.008575930 -0.005251325 0.003324605 2 7: 2 11.600 0.000000002 -0.016855994 -0.016857324 0.000001330 7: avgDiffVxc, maxDiffVxc = 0.000000680 0.000002261 1: GGA revPBE 0 1 Ex -0.720975416 -0.605999827 0.114975589 2 1: GGA revPBE 0 2 Ex -0.523072162 -0.638047741 0.114975579 2 1: GGA revPBE 0 3 Ex -0.122304059 -0.215502682 0.093198623 2 1: GGA revPBE 0 4 Ex -0.006838949 -0.003688365 0.003150584 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 0.125419474 2 1: GGA LYP 0 2 Ec -0.498713144 -0.613793770 0.115080626 2 1: GGA LYP 0 3 Ex 0.081755288 -0.021407460 0.103162747 2 1: GGA LYP 0 3 Ec 0.205520838 0.113171659 0.092349179 2 1: GGA LYP 0 4 Ex 0.004571559 0.034804533 0.030232974 2 1: GGA LYP 0 4 Ec 0.011492230 -0.002067718 0.013559949 2 1: GGA WC 0 1 Ex -0.763972907 -0.695404222 0.068568685 2 1: GGA WC 0 2 Ex -0.462460756 -0.531029432 0.068568676 2 1: GGA WC 0 3 Ex -0.186334278 -0.241915707 0.055581429 2 1: GGA WC 0 4 Ex -0.010419364 -0.008540445 0.001878919 2 1: GGA PBEJsJrLO 0 1 Ex -0.737550231 -0.659979408 0.077570823 2 1: GGA PBEJsJrLO 0 2 Ex -0.456443716 -0.534014530 0.077570814 2 4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.12 sec 1: GGA PBEJsJrLO 0 3 Ex -0.173723610 -0.236602121 0.062878511 2 1: GGA PBEJsJrLO 0 4 Ex -0.009714206 -0.007588670 0.002125536 2 1: GGA PBEJsJrHEG 0 1 Ex -0.743734847 -0.676918915 0.066815932 2 1: GGA PBEJsJrHEG 0 2 Ex -0.417629395 -0.484445317 0.066815922 2 1: GGA PBEJsJrHEG 0 3 Ex -0.201532919 -0.255693566 0.054160647 2 1: GGA PBEJsJrHEG 0 4 Ex -0.011269236 -0.009438511 0.001830725 2 1: GGA PBEGcGxLO 0 1 Ex -0.743478852 -0.676046838 0.067432014 2 1: GGA PBEGcGxLO 0 2 Ex -0.457783415 -0.525215420 0.067432005 2 1: GGA PBEGcGxLO 0 3 Ex -0.176559560 -0.231219610 0.054660049 2 1: GGA PBEGcGxLO 0 4 Ex -0.009872786 -0.008025002 0.001847783 2 1: GGA PBEGcGxHEG 0 1 Ex -0.745807745 -0.686383326 0.059424419 2 1: GGA PBEGcGxHEG 0 2 Ex -0.418096195 -0.477520605 0.059424410 2 1: GGA PBEGcGxHEG 0 3 Ex -0.202525486 -0.250694614 0.048169127 2 1: GGA PBEGcGxHEG 0 4 Ex -0.011324738 -0.009696514 0.001628224 2 1: GGA PBESOL 0 1 Ex -0.743478852 -0.676046838 0.067432014 2 1: GGA PBESOL 0 2 Ex -0.457783415 -0.525215420 0.067432005 2 1: GGA PBESOL 0 3 Ex -0.176559560 -0.231219610 0.054660049 2 1: GGA PBESOL 0 4 Ex -0.009872786 -0.008025002 0.001847783 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 0.055130284 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 0.017999154 0.017101901 2 1: GGA AM05 0 4 Ec 0.003282058 0.003246826 0.000035232 2 1: GGA PW86 0 1 Ex -0.843291987 -0.738461478 0.104830509 2 1: GGA PW86 0 2 Ex -0.890104565 -0.994935065 0.104830500 2 1: GGA PW86 0 3 Ex 0.028930137 -0.056197259 0.085127397 2 1: GGA PW86 0 4 Ex 0.001617704 0.007214319 0.005596616 2 1: GGA B88 0 1 Ex -0.854451775 -0.729059570 0.125392205 2 1: GGA B88 0 2 Ex -0.986942457 -1.112334652 0.125392195 2 1: GGA B88 0 3 Ex 0.081879140 -0.021261484 0.103140624 2 1: GGA B88 0 4 Ex 0.004578484 0.034810096 0.030231611 2 1: GGA C09 0 1 Ex -0.755880338 -0.692853942 0.063026396 2 1: GGA C09 0 2 Ex -0.531134880 -0.594161267 0.063026387 2 1: GGA C09 0 3 Ex -0.138892521 -0.189981384 0.051088863 2 1: GGA C09 0 4 Ex -0.007766535 -0.006039748 0.001726787 2 1: GGA BH 0 1 Ex -0.825645169 -0.753319791 0.072325378 2 1: GGA BH 0 2 Ex -0.876833778 -0.949159147 0.072325369 2 1: GGA BH 0 3 Ex 0.031634521 -0.027142284 0.058776805 2 1: GGA BH 0 4 Ex 0.001768926 0.006437254 0.004668328 2 1: 1: iSpin dens gradDens 1: 1 0.119955162 -0.550466144 -0.268935420 -1.249569152 1: 2 0.137925987 -0.830128012 -0.836713048 0.122072221 1: 3 0.018978463 0.763273715 -1.217334806 0.426099407 1: 4 0.001810612 -0.866262362 -0.643062734 0.068116366 1: GGA PW91 0 1 Ex -1.113975369 -1.154994360 0.041018992 2 1: GGA PW91 0 2 Ex -0.942386847 -0.901367857 0.041018991 2 1: GGA PW91 0 3 Ex 0.181209627 0.191230491 0.010020864 2 1: GGA PW91 0 4 Ex 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0.573172503 1.755803477 2 1: GGA LYP 0 1 Ec -0.085529024 -0.208969691 0.123440667 2 1: GGA LYP 0 2 Ex -1.158767239 -2.914570717 1.755803477 2 1: GGA LYP 0 2 Ec -0.158462080 -0.035021413 0.123440667 2 1: GGA LYP 0 3 Ex -0.061010424 0.115212461 0.176222885 2 1: GGA LYP 0 3 Ec 0.186461872 0.179340276 0.007121597 2 1: GGA LYP 0 4 Ex 0.012275747 2.594721103 2.582445356 2 1: GGA LYP 0 4 Ec -0.037517504 -0.192894543 0.155377039 2 1: GGA WC 0 1 Ex -1.268740426 -0.062749280 1.205991146 2 1: GGA WC 0 2 Ex -1.283429538 -2.489420694 1.205991156 2 1: GGA WC 0 3 Ex 0.037554430 0.172162884 0.134608454 2 1: GGA WC 0 4 Ex -0.007556228 1.833655108 1.841211336 2 1: GGA PBEJsJrLO 0 1 Ex -1.286132618 -0.318513367 0.967619251 2 1: GGA PBEJsJrLO 0 2 Ex -1.306730125 -2.274349386 0.967619261 2 1: GGA PBEJsJrLO 0 3 Ex 0.052659932 0.156969757 0.104309825 2 1: GGA PBEJsJrLO 0 4 Ex -0.010595567 1.448337239 1.458932806 2 1: GGA PBEJsJrHEG 0 1 Ex -1.308475293 -0.515003117 0.793472176 2 1: GGA PBEJsJrHEG 0 2 Ex -1.339235911 -2.132708096 0.793472185 2 1: GGA PBEJsJrHEG 0 3 Ex 0.078643111 0.173621330 0.094978219 2 1: GGA PBEJsJrHEG 0 4 Ex -0.015823574 1.227462540 1.243286115 2 1: GGA PBEGcGxLO 0 1 Ex -1.261948857 -0.376780068 0.885168788 2 1: GGA PBEGcGxLO 0 2 Ex -1.269883482 -2.155052279 0.885168798 2 1: GGA PBEGcGxLO 0 3 Ex 0.020285795 0.110311212 0.090025417 2 1: GGA PBEGcGxLO 0 4 Ex -0.004081652 1.303716910 1.307798561 2 1: GGA PBEGcGxHEG 0 1 Ex -1.289508834 -0.570840009 0.718668825 2 1: GGA PBEGcGxHEG 0 2 Ex -1.310093242 -2.028762076 0.718668834 2 1: GGA PBEGcGxHEG 0 3 Ex 0.052626443 0.133995976 0.081369532 2 1: GGA PBEGcGxHEG 0 4 Ex -0.010588829 1.092354251 1.102943079 2 1: GGA PBESOL 0 1 Ex -1.261948857 -0.376780068 0.885168788 2 1: GGA PBESOL 0 2 Ex -1.269883482 -2.155052279 0.885168798 2 1: GGA PBESOL 0 3 Ex 0.020285795 0.110311212 0.090025417 2 1: GGA PBESOL 0 4 Ex -0.004081652 1.303716910 1.307798561 2 1: GGA AM05 0 1 Ex -1.153985164 -0.539157529 0.614827635 2 1: GGA AM05 0 1 Ec -0.081444000 -0.181512763 0.100068763 2 1: GGA AM05 0 2 Ex -1.105306579 -1.720134214 0.614827635 2 1: GGA AM05 0 2 Ec -0.079028782 0.021039981 0.100068763 2 1: GGA AM05 0 3 Ex -0.124452488 -0.091685863 0.032766625 2 1: GGA AM05 0 3 Ec -0.006174787 -0.021587749 0.015412963 2 1: GGA AM05 0 4 Ex 0.025040758 0.785495229 0.760454470 2 1: GGA AM05 0 4 Ec 0.001242413 -0.172625504 0.173867916 2 1: GGA PW86 0 1 Ex -1.299780871 -0.007487814 1.292293057 2 1: GGA PW86 0 2 Ex -1.334245662 -2.626538730 1.292293068 2 1: GGA PW86 0 3 Ex 0.088113262 0.236205738 0.148092476 2 1: GGA PW86 0 4 Ex -0.017729038 1.974382071 1.992111110 2 1: GGA B88 0 1 Ex -1.181545644 0.573323000 1.754868645 2 1: GGA B88 0 2 Ex -1.157663744 -2.912532400 1.754868656 2 1: GGA B88 0 3 Ex -0.061056868 0.115071838 0.176128706 2 1: GGA B88 0 4 Ex 0.012285092 2.593353655 2.581068563 2 1: GGA C09 0 1 Ex -1.114260940 0.123244701 1.237505642 2 1: GGA C09 0 2 Ex -1.052114543 -2.289620195 1.237505652 2 1: GGA C09 0 3 Ex -0.158884521 -0.063237965 0.095646556 2 1: GGA C09 0 4 Ex 0.031968738 1.710171202 1.678202465 2 1: GGA BH 0 1 Ex -1.268691410 -0.314495376 0.954196034 2 1: GGA BH 0 2 Ex -1.278391352 -2.232587397 0.954196045 2 1: GGA BH 0 3 Ex 0.024799035 0.108045022 0.083245987 2 1: GGA BH 0 4 Ex -0.004989749 1.336208626 1.341198375 2 1: 1: iSpin dens gradDens 1: 1 0.123124668 -0.211286122 -0.051526986 0.586593100 1: 2 0.031022021 -0.434150112 -0.168730019 0.754652956 1: 3 0.045389747 0.421376891 -0.441586499 -0.469488064 1: 4 0.030366807 0.343469373 -0.281174472 0.308548320 1: GGA PW91 0 1 Ex -0.492974637 -0.445757922 0.047216715 2 1: GGA PW91 0 2 Ex -0.108019958 -0.155236665 0.047216707 2 1: GGA PW91 0 3 Ex -0.189712199 -0.180054907 0.009657292 2 1: GGA PW91 0 4 Ex -0.126921916 -0.212961054 0.086039138 2 1: GGA PBE 0 1 Ex -0.556638756 -0.507620040 0.049018716 2 1: GGA PBE 0 2 Ex -0.432479069 -0.481497775 0.049018706 2 1: GGA PBE 0 3 Ex -0.061188001 -0.051175648 0.010012352 2 1: GGA PBE 0 4 Ex -0.040936209 -0.130238800 0.089302590 2 1: GGA RPBE 0 1 Ex -0.527138315 -0.464862696 0.062275620 2 1: GGA RPBE 0 2 Ex -0.426166954 -0.488442564 0.062275610 2 1: GGA RPBE 0 3 Ex -0.049760400 -0.037039600 0.012720800 2 1: GGA RPBE 0 4 Ex -0.033290876 -0.146745948 0.113455071 2 1: GGA revPBE 0 1 Ex -0.551736460 -0.492866131 0.058870329 2 1: GGA revPBE 0 2 Ex -0.507670438 -0.566540757 0.058870319 2 1: GGA revPBE 0 3 Ex -0.021716483 -0.009692495 0.012023989 2 1: GGA revPBE 0 4 Ex -0.014528837 -0.121778244 0.107249407 2 1: GGA LYP 0 1 Ex -0.661362508 -0.580850933 0.080511575 2 1: GGA LYP 0 1 Ec -1.003528901 -1.011981459 0.008452558 2 1: GGA LYP 0 2 Ex -0.914775824 -0.995287399 0.080511576 2 1: GGA LYP 0 2 Ec -1.984218608 -1.975766049 0.008452559 2 1: GGA LYP 0 3 Ex 0.124886383 0.088619101 0.036267282 2 1: GGA LYP 0 3 Ec 0.483300532 0.614895810 0.131595278 2 1: GGA LYP 0 4 Ex 0.083551923 0.015665238 0.067886685 2 1: GGA LYP 0 4 Ec 0.323339404 0.139460178 0.183879226 2 1: GGA WC 0 1 Ex -0.580606333 -0.545750416 0.034855917 2 1: GGA WC 0 2 Ex -0.437610351 -0.472466259 0.034855908 2 1: GGA WC 0 3 Ex -0.070470847 -0.063351864 0.007118983 2 1: GGA WC 0 4 Ex -0.047146651 -0.110646565 0.063499914 2 1: GGA PBEJsJrLO 0 1 Ex -0.560359914 -0.520716560 0.039643354 2 1: GGA PBEJsJrLO 0 2 Ex -0.433255224 -0.472898570 0.039643346 2 1: GGA PBEJsJrLO 0 3 Ex -0.062639348 -0.054542295 0.008097053 2 1: GGA PBEJsJrLO 0 4 Ex -0.041907195 -0.114129203 0.072222008 2 1: GGA PBEJsJrHEG 0 1 Ex -0.563771120 -0.530046478 0.033724642 2 1: GGA PBEJsJrHEG 0 2 Ex -0.390418526 -0.424143159 0.033724633 2 1: GGA PBEJsJrHEG 0 3 Ex -0.085431100 -0.078542648 0.006888452 2 1: GGA PBEJsJrHEG 0 4 Ex -0.057155412 -0.118595166 0.061439754 2 1: GGA PBEGcGxLO 0 1 Ex -0.564337876 -0.529682118 0.034655758 2 1: GGA PBEGcGxLO 0 2 Ex -0.434094472 -0.468750222 0.034655749 2 1: GGA PBEGcGxLO 0 3 Ex -0.064186160 -0.057108071 0.007078089 2 1: GGA PBEGcGxLO 0 4 Ex -0.042942048 -0.106077296 0.063135248 2 1: GGA PBEGcGxHEG 0 1 Ex -0.564636824 -0.534429930 0.030206894 2 1: GGA PBEGcGxHEG 0 2 Ex -0.390596029 -0.420802914 0.030206885 2 1: GGA PBEGcGxHEG 0 3 Ex -0.085770257 -0.079600441 0.006169817 2 1: GGA PBEGcGxHEG 0 4 Ex -0.057382316 -0.112413243 0.055030927 2 1: GGA PBESOL 0 1 Ex -0.564337876 -0.529682118 0.034655758 2 1: GGA PBESOL 0 2 Ex -0.434094472 -0.468750222 0.034655749 2 1: GGA PBESOL 0 3 Ex -0.064186160 -0.057108071 0.007078089 2 1: GGA PBESOL 0 4 Ex -0.042942048 -0.106077296 0.063135248 2 1: GGA AM05 0 1 Ex -0.645025701 -0.606079787 0.038945914 2 1: GGA AM05 0 1 Ec -0.052192567 -0.052984655 0.000792088 2 1: GGA AM05 0 2 Ex -0.798864413 -0.837810326 0.038945914 2 1: GGA AM05 0 2 Ec -0.120383303 -0.119591215 0.000792088 2 1: GGA AM05 0 3 Ex 0.075814328 0.052839635 0.022974693 2 1: GGA AM05 0 3 Ec 0.033605552 0.033443758 0.000161794 2 1: GGA AM05 0 4 Ex 0.050721566 0.026000648 0.024720917 2 1: GGA AM05 0 4 Ec 0.022482903 0.023925942 0.001443039 2 1: GGA PW86 0 1 Ex -0.660718662 -0.607187655 0.053531007 2 1: GGA PW86 0 2 Ex -0.848793685 -0.902324681 0.053530996 2 1: GGA PW86 0 3 Ex 0.092686563 0.097793195 0.005106631 2 1: GGA PW86 0 4 Ex 0.062009487 -0.026803345 0.088812832 2 1: GGA B88 0 1 Ex -0.661227215 -0.580723191 0.080504024 2 1: GGA B88 0 2 Ex -0.914691131 -0.995195135 0.080504003 2 1: GGA B88 0 3 Ex 0.124911320 0.088643391 0.036267929 2 1: GGA B88 0 4 Ex 0.083568606 0.015694341 0.067874265 2 1: GGA C09 0 1 Ex -0.576157921 -0.543055785 0.033102136 2 1: GGA C09 0 2 Ex -0.513095259 -0.546197386 0.033102127 2 1: GGA C09 0 3 Ex -0.031078350 -0.024316705 0.006761645 2 1: GGA C09 0 4 Ex -0.020792146 -0.081098329 0.060306183 2 1: GGA BH 0 1 Ex -0.637349385 -0.597128243 0.040221142 2 1: GGA BH 0 2 Ex -0.834474612 -0.874695743 0.040221131 2 1: GGA BH 0 3 Ex 0.097146658 0.099615712 0.002469054 2 1: GGA BH 0 4 Ex 0.064993395 0.000307427 0.064685968 2 1: 1: iSpin dens gradDens 1: 1 0.002093993 0.010848874 0.037610562 -0.022981529 1: 2 0.005681750 -0.010803867 0.023801761 -0.029853121 1: 3 -0.001008224 0.010295642 0.016023992 -0.013439095 1: 4 0.001818805 -0.001009244 0.008687477 -0.036314443 1: GGA PW91 0 1 Ex -0.112481908 -0.076254549 0.036227359 2 1: GGA PW91 0 2 Ex -0.465839528 -0.502066902 0.036227374 2 1: GGA PW91 0 3 Ex 0.099299853 0.183675898 0.084376045 2 1: GGA PW91 0 4 Ex -0.179133860 -0.096630541 0.082503319 2 1: GGA PBE 0 1 Ex -0.256554323 -0.262154209 0.005599886 2 1: GGA PBE 0 2 Ex -0.344469750 -0.338869877 0.005599873 2 1: GGA PBE 0 3 Ex 0.024705818 0.011638560 0.013067258 2 1: GGA PBE 0 4 Ex -0.044568530 -0.057335275 0.012766745 2 1: GGA RPBE 0 1 Ex -0.266200092 -0.266272386 0.000072294 2 1: GGA RPBE 0 2 Ex -0.387807845 -0.387735566 0.000072279 2 1: GGA RPBE 0 3 Ex 0.034173968 0.034005180 0.000168789 2 1: GGA RPBE 0 4 Ex -0.061648780 -0.061813638 0.000164858 2 1: GGA revPBE 0 1 Ex -0.309900242 -0.321958337 0.012058094 2 1: GGA revPBE 0 2 Ex -0.387043750 -0.374985672 0.012058078 2 1: GGA revPBE 0 3 Ex 0.021678715 -0.006456829 0.028135544 2 5/9 Test #5: libgridxc_test6 .................. Passed 0.17 sec 1: GGA revPBE 0 4 Ex -0.039107730 -0.066597022 0.027489293 2 1: GGA LYP 0 1 Ex -0.271064933 -0.302858469 0.031793536 2 1: GGA LYP 0 1 Ec -1.457419164 -1.718575712 0.261156549 2 1: GGA LYP 0 2 Ex -0.246706167 -0.214912630 0.031793536 2 1: GGA LYP 0 2 Ec -0.637715563 -0.376559014 0.261156549 2 1: GGA LYP 0 3 Ex -0.006845252 -0.064975077 0.058129826 2 1: GGA LYP 0 3 Ec -0.230351470 -0.880489668 0.650138198 2 1: GGA LYP 0 4 Ex 0.012348622 -0.051232475 0.063581097 2 1: GGA LYP 0 4 Ec 0.415546918 -0.202423666 0.617970584 2 1: GGA WC 0 1 Ex -0.255600412 -0.261352585 0.005752174 2 1: GGA WC 0 2 Ex -0.341632022 -0.335879861 0.005752160 2 1: GGA WC 0 3 Ex 0.024176431 0.010758478 0.013417953 2 1: GGA WC 0 4 Ex -0.043613533 -0.056724881 0.013111348 2 1: GGA PBEJsJrLO 0 1 Ex -0.253102305 -0.260535015 0.007432711 2 1: GGA PBEJsJrLO 0 2 Ex -0.329198173 -0.321765476 0.007432698 2 1: GGA PBEJsJrLO 0 3 Ex 0.021384309 0.004041116 0.017343193 2 1: GGA PBEJsJrLO 0 4 Ex -0.038576632 -0.055521375 0.016944744 2 1: GGA PBEJsJrHEG 0 1 Ex -0.222429297 -0.226261384 0.003832086 2 1: GGA PBEJsJrHEG 0 2 Ex -0.304049821 -0.300217746 0.003832075 2 1: GGA PBEJsJrHEG 0 3 Ex 0.022936837 0.013994713 0.008942124 2 1: GGA PBEJsJrHEG 0 4 Ex -0.041377343 -0.050113818 0.008736475 2 1: GGA PBEGcGxLO 0 1 Ex -0.250873144 -0.259434935 0.008561791 2 1: GGA PBEGcGxLO 0 2 Ex -0.319430077 -0.310868299 0.008561777 2 1: GGA PBEGcGxLO 0 3 Ex 0.019265732 -0.000711198 0.019976930 2 1: GGA PBEGcGxLO 0 4 Ex -0.034754785 -0.054273102 0.019518318 2 1: GGA PBEGcGxHEG 0 1 Ex -0.221203480 -0.225694949 0.004491469 2 1: GGA PBEGcGxHEG 0 2 Ex -0.298612525 -0.294121067 0.004491457 2 1: GGA PBEGcGxHEG 0 3 Ex 0.021753335 0.011272829 0.010480506 2 1: GGA PBEGcGxHEG 0 4 Ex -0.039242343 -0.049481940 0.010239597 2 1: GGA PBESOL 0 1 Ex -0.250873144 -0.259434935 0.008561791 2 1: GGA PBESOL 0 2 Ex -0.319430077 -0.310868299 0.008561777 2 1: GGA PBESOL 0 3 Ex 0.019265732 -0.000711198 0.019976930 2 1: GGA PBESOL 0 4 Ex -0.034754785 -0.054273102 0.019518318 2 1: GGA AM05 0 1 Ex -0.227559206 -0.250121636 0.022562429 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 -0.329098954 0.018110109 2 1: GGA PW86 0 2 Ex -0.313299826 -0.295189727 0.018110098 2 1: GGA PW86 0 3 Ex 0.000649427 -0.038257093 0.038906521 2 1: GGA PW86 0 4 Ex -0.001171547 -0.040600628 0.039429081 2 1: GGA B88 0 1 Ex -0.271059630 -0.302852213 0.031792583 2 1: GGA B88 0 2 Ex -0.246698263 -0.214905685 0.031792579 2 1: GGA B88 0 3 Ex -0.006845983 -0.064973720 0.058127737 2 1: GGA B88 0 4 Ex 0.012349941 -0.051229068 0.063579008 2 1: GGA C09 0 1 Ex -0.308813310 -0.324601121 0.015787810 2 1: GGA C09 0 2 Ex -0.375544496 -0.359756702 0.015787794 2 1: GGA C09 0 3 Ex 0.018752665 -0.018109981 0.036862646 2 1: GGA C09 0 4 Ex -0.033829226 -0.069834841 0.036005615 2 1: GGA BH 0 1 Ex -0.310623723 -0.327861471 0.017237747 2 1: GGA BH 0 2 Ex -0.320655964 -0.303418228 0.017237736 2 1: GGA BH 0 3 Ex 0.002819240 -0.034114138 0.036933378 2 1: GGA BH 0 4 Ex -0.005085822 -0.042560718 0.037474896 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 -0.471171717 0.572992272 2 1: GGA PW91 0 3 Ex -0.044312483 -0.457759909 0.413447426 2 1: GGA PW91 0 4 Ex 0.007232719 -0.908901745 0.916134464 2 1: GGA PBE 0 1 Ex -1.003455913 -1.571631833 0.568175920 2 1: GGA PBE 0 2 Ex -1.037609483 -0.469433563 0.568175920 2 1: GGA PBE 0 3 Ex -0.037075791 -0.444243257 0.407167466 2 1: GGA PBE 0 4 Ex 0.006051540 -0.885198897 0.891250437 2 1: GGA RPBE 0 1 Ex -0.930206132 -1.709265823 0.779059691 2 1: GGA RPBE 0 2 Ex -0.995781590 -0.216721899 0.779059691 2 1: GGA RPBE 0 3 Ex -0.071186175 -0.649127212 0.577941038 2 1: GGA RPBE 0 4 Ex 0.011619064 -1.330813788 1.342432853 2 1: GGA revPBE 0 1 Ex -0.942345573 -1.680125456 0.737779883 2 1: GGA revPBE 0 2 Ex -1.004039685 -0.266259803 0.737779882 2 1: GGA revPBE 0 3 Ex -0.066972735 -0.612449415 0.545476679 2 1: GGA revPBE 0 4 Ex 0.010931343 -1.249090205 1.260021549 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 -0.525038386 0.466295496 2 1: GGA LYP 0 3 Ec 0.032120601 0.082019497 0.049898896 2 1: GGA LYP 0 4 Ex 0.009588061 -1.051920405 1.061508466 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 -0.594131969 0.466885355 2 1: GGA WC 0 3 Ex -0.053000628 -0.393333140 0.340332512 2 1: GGA WC 0 4 Ex 0.008650805 -0.758954817 0.767605621 2 1: GGA PBEJsJrLO 0 1 Ex -0.993968463 -1.485434010 0.491465547 2 1: GGA PBEJsJrLO 0 2 Ex -1.044604280 -0.553138734 0.491465546 2 1: GGA PBEJsJrLO 0 3 Ex -0.054968279 -0.416938884 0.361970606 2 1: GGA PBEJsJrLO 0 4 Ex 0.008971966 -0.821840509 0.830812476 2 1: GGA PBEJsJrHEG 0 1 Ex -1.030131670 -1.420725921 0.390594251 2 1: GGA PBEJsJrHEG 0 2 Ex -1.064587172 -0.673992922 0.390594250 2 1: GGA PBEJsJrHEG 0 3 Ex -0.037403556 -0.317210559 0.279807002 2 1: GGA PBEJsJrHEG 0 4 Ex 0.006105038 -0.605965906 0.612070945 2 1: GGA PBEGcGxLO 0 1 Ex -0.995278384 -1.439183594 0.443905211 2 1: GGA PBEGcGxLO 0 2 Ex -1.050729262 -0.606824052 0.443905210 2 1: GGA PBEGcGxLO 0 3 Ex 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0.137016622 0.053137416 2 1: GGA PBE 0 4 Ex 0.110964658 0.351362064 0.240397406 2 1: GGA RPBE 0 1 Ex -0.926117117 -1.426362803 0.500245686 2 1: GGA RPBE 0 2 Ex -1.087271246 -0.587025565 0.500245681 2 1: GGA RPBE 0 3 Ex 0.088241336 0.173735655 0.085494319 2 1: GGA RPBE 0 4 Ex 0.116735364 0.397406067 0.280670703 2 1: GGA revPBE 0 1 Ex -0.879428582 -1.406047887 0.526619305 2 1: GGA revPBE 0 2 Ex -1.072162626 -0.545543326 0.526619300 2 1: GGA revPBE 0 3 Ex 0.105533191 0.205058692 0.099525502 2 1: GGA revPBE 0 4 Ex 0.139610935 0.427879838 0.288268902 2 1: GGA LYP 0 1 Ex -0.830716587 -1.372568844 0.541852256 2 1: GGA LYP 0 1 Ec -0.087480154 -0.111450696 0.023970542 2 1: GGA LYP 0 2 Ex -1.060592488 -0.518740232 0.541852256 2 1: GGA LYP 0 2 Ec -0.046795400 -0.022824858 0.023970542 2 1: GGA LYP 0 3 Ex 0.125870536 0.233914627 0.108044091 2 1: GGA LYP 0 3 Ec -0.022277289 -0.051995759 0.029718470 2 1: GGA LYP 0 4 Ex 0.166515417 0.458859640 0.292344223 2 1: GGA LYP 0 4 Ec -0.029470852 0.009539378 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GGA PBEGcGxHEG 0 1 Ex -0.916808728 -1.174560467 0.257751739 2 1: GGA PBEGcGxHEG 0 2 Ex -1.103848790 -0.846097057 0.257751733 2 1: GGA PBEGcGxHEG 0 3 Ex 0.102415402 0.143313049 0.040897647 2 1: GGA PBEGcGxHEG 0 4 Ex 0.135486381 0.282485675 0.146999294 2 1: GGA PBESOL 0 1 Ex -0.879341226 -1.199369961 0.320028735 2 1: GGA PBESOL 0 2 Ex -1.089523958 -0.769495229 0.320028729 2 1: GGA PBESOL 0 3 Ex 0.115087371 0.180641129 0.065553758 2 1: GGA PBESOL 0 4 Ex 0.152250258 0.323598724 0.171348466 2 1: GGA AM05 0 1 Ex -0.804695644 -1.028692632 0.223996988 2 1: GGA AM05 0 1 Ec -0.095437754 -0.080092598 0.015345156 2 1: GGA AM05 0 2 Ex -1.079390270 -0.855393283 0.223996988 2 1: GGA AM05 0 2 Ec -0.073676622 -0.089021778 0.015345156 2 1: GGA AM05 0 3 Ex 0.150411416 0.232278055 0.081866639 2 1: GGA AM05 0 3 Ec -0.011915496 -0.010622895 0.001292601 2 1: GGA AM05 0 4 Ex 0.198980798 0.291711893 0.092731095 2 1: GGA AM05 0 4 Ec -0.015763131 -0.027332277 0.011569146 2 1: GGA PW86 0 1 Ex -0.937638946 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5.290362540 -4.279489254 1: 3 0.122051932 5.517742107 -3.608497600 0.350964939 1: 4 -0.070696107 -2.802495840 -1.782432508 6.488356113 1: GGA PW91 0 1 Ex -1.458770750 -1.203963963 0.254806787 2 1: GGA PW91 0 2 Ex -1.235484546 -1.490291341 0.254806795 2 1: GGA PW91 0 3 Ex 0.210181753 0.571570907 0.361389154 2 1: GGA PW91 0 4 Ex -0.121743519 0.268503005 0.390246524 2 1: GGA PBE 0 1 Ex -1.274768032 -1.027179635 0.247588397 2 1: GGA PBE 0 2 Ex -1.153526495 -1.401114900 0.247588405 2 1: GGA PBE 0 3 Ex 0.114125989 0.510617086 0.396491096 2 1: GGA PBE 0 4 Ex -0.066105165 0.391361949 0.457467114 2 1: GGA RPBE 0 1 Ex -1.467591746 -1.179441803 0.288149943 2 1: GGA RPBE 0 2 Ex -1.221909275 -1.510059225 0.288149950 2 1: GGA RPBE 0 3 Ex 0.231263605 0.661416895 0.430153290 2 1: GGA RPBE 0 4 Ex -0.133954754 0.344431439 0.478386193 2 1: GGA revPBE 0 1 Ex -1.277377906 -1.018208700 0.259169205 2 1: GGA revPBE 0 2 Ex -1.146824276 -1.405993489 0.259169213 2 1: GGA revPBE 0 3 Ex 0.122891563 0.578191335 0.455299771 2 1: GGA revPBE 0 4 Ex -0.071182446 0.477193765 0.548376212 2 1: GGA LYP 0 1 Ex -0.968115166 -0.761627739 0.206487427 2 1: GGA LYP 0 1 Ec -0.261034559 -0.221789527 0.039245032 2 1: GGA LYP 0 2 Ex -1.032778987 -1.239266414 0.206487427 2 1: GGA LYP 0 2 Ec -0.118116812 -0.157361845 0.039245032 2 1: GGA LYP 0 3 Ex -0.060868765 0.413471650 0.474340415 2 1: GGA LYP 0 3 Ec 0.134530043 0.126910441 0.007619602 2 1: GGA LYP 0 4 Ex 0.035256998 0.664816615 0.629559617 2 1: GGA LYP 0 4 Ec -0.077923800 -0.127067594 0.049143794 2 1: GGA WC 0 1 Ex -1.237625300 -1.055806957 0.181818343 2 1: GGA WC 0 2 Ex -1.157373961 -1.339192311 0.181818350 2 1: GGA WC 0 3 Ex 0.075541466 0.386996625 0.311455159 2 1: GGA WC 0 4 Ex -0.043755863 0.327216057 0.370971919 2 1: GGA PBEJsJrLO 0 1 Ex -1.203552339 -1.025443699 0.178108640 2 1: GGA PBEJsJrLO 0 2 Ex -1.135264353 -1.313373000 0.178108647 2 1: GGA PBEJsJrLO 0 3 Ex 0.064280231 0.371923183 0.307642953 2 1: GGA PBEJsJrLO 0 4 Ex -0.037233020 0.330559317 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0.305942290 0.327173174 2 1: GGA AM05 0 1 Ex -0.899167664 -0.872906032 0.026261632 2 1: GGA AM05 0 1 Ec -0.077036081 -0.088625772 0.011589691 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 0.034888854 0.158049499 2 1: GGA AM05 0 3 Ec 0.002650019 -0.013962352 0.016612371 2 1: GGA AM05 0 4 Ex 0.071338306 0.320116978 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 -1.396580717 0.314235573 2 1: GGA PW86 0 3 Ex 0.068522120 0.601309798 0.532787677 2 1: GGA PW86 0 4 Ex -0.039690049 0.591965868 0.631655917 2 1: GGA B88 0 1 Ex -0.967430355 -0.761042543 0.206387811 2 1: GGA B88 0 2 Ex -1.032024816 -1.238412636 0.206387820 2 1: GGA B88 0 3 Ex -0.060803475 0.413334339 0.474137814 2 1: GGA B88 0 4 Ex 0.035219180 0.664520371 0.629301191 2 1: GGA C09 0 1 Ex -0.971081783 -0.879751583 0.091330199 2 1: GGA C09 0 2 Ex -1.049186995 -1.140517202 0.091330207 2 1: GGA C09 0 3 Ex -0.073521293 0.208871447 0.282392740 2 1: GGA C09 0 4 Ex 0.042585718 0.446364208 0.403778490 2 1: GGA BH 0 1 Ex -1.196576592 -1.077459247 0.119117345 2 1: GGA BH 0 2 Ex -1.139602776 -1.258720129 0.119117353 2 1: GGA BH 0 3 Ex 0.053630078 0.307942671 0.254312593 2 1: GGA BH 0 4 Ex -0.031064135 0.298754132 0.329818267 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 -0.167723695 0.053141537 2 1: GGA PW91 0 2 Ex -0.366559020 -0.313417472 0.053141548 2 1: GGA PW91 0 3 Ex -0.005635766 -0.276458571 0.270822805 2 1: GGA PW91 0 4 Ex -0.029090440 -0.206775126 0.177684685 2 1: GGA PBE 0 1 Ex -0.195622156 -0.192579051 0.003043105 2 1: GGA PBE 0 2 Ex -0.254938965 -0.257982055 0.003043090 2 1: GGA PBE 0 3 Ex -0.001326692 0.015791335 0.017118026 2 1: GGA PBE 0 4 Ex -0.006848058 0.003015028 0.009863086 2 1: GGA revPBE 0 1 Ex -0.238775961 -0.231868895 0.006907066 2 1: GGA revPBE 0 2 Ex -0.297022649 -0.303929696 0.006907047 2 1: GGA revPBE 0 3 Ex -0.001302757 0.037313912 0.038616669 2 1: GGA revPBE 0 4 Ex -0.006724513 0.015708084 0.022432598 2 1: GGA LYP 0 1 Ex -0.157560481 -0.049001254 0.108559227 2 1: GGA LYP 0 1 Ec 0.081642316 0.126076573 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 0.339794933 0.340129446 2 1: GGA LYP 0 3 Ec -0.005475410 0.643782328 0.649257738 2 1: GGA LYP 0 4 Ex -0.001726677 0.402540724 0.404267401 2 1: GGA LYP 0 4 Ec -0.028262721 0.038396207 0.066658928 2 1: GGA WC 0 1 Ex -0.194249156 -0.191017645 0.003231511 2 1: GGA WC 0 2 Ex -0.253082152 -0.256313647 0.003231496 2 1: GGA WC 0 3 Ex -0.001315871 0.016271141 0.017587012 2 1: GGA WC 0 4 Ex -0.006792202 0.003795995 0.010588197 2 1: GGA PBEJsJrLO 0 1 Ex -0.193816100 -0.189597187 0.004218913 2 1: GGA PBEJsJrLO 0 2 Ex -0.247281863 -0.251500761 0.004218898 2 1: GGA PBEJsJrLO 0 3 Ex -0.001195826 0.022417455 0.023613281 2 1: GGA PBEJsJrLO 0 4 Ex -0.006172561 0.007524511 0.013697073 2 1: GGA PBEJsJrHEG 0 1 Ex -0.169034159 -0.166952565 0.002081594 2 1: GGA PBEJsJrHEG 0 2 Ex -0.222765055 -0.224846636 0.002081581 2 1: GGA PBEJsJrHEG 0 3 Ex -0.001201756 0.010508136 0.011709893 2 1: GGA PBEJsJrHEG 0 4 Ex -0.006203170 0.000543422 0.006746592 2 1: GGA PBEGcGxLO 0 1 Ex -0.192532226 -0.187524210 0.005008016 2 1: GGA PBEGcGxLO 0 2 Ex -0.242098123 -0.247106124 0.005008001 2 1: GGA PBEGcGxLO 0 3 Ex -0.001108601 0.026819098 0.027927699 2 1: GGA PBEGcGxLO 0 4 Ex -0.005722326 0.010556450 0.016278776 2 1: GGA PBEGcGxHEG 0 1 Ex -0.168411057 -0.165916796 0.002494260 2 1: GGA PBEGcGxHEG 0 2 Ex -0.220084467 -0.222578715 0.002494247 2 1: GGA PBEGcGxHEG 0 3 Ex -0.001155738 0.012840469 0.013996207 2 1: GGA PBEGcGxHEG 0 4 Ex -0.005965636 0.002125249 0.008090885 2 1: GGA PBESOL 0 1 Ex -0.192532226 -0.187524210 0.005008016 2 1: GGA PBESOL 0 2 Ex -0.242098123 -0.247106124 0.005008001 2 1: GGA PBESOL 0 3 Ex -0.001108601 0.026819098 0.027927699 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 0.230110495 2 1: GGA AM05 0 3 Ec 0.000356328 0.000251808 0.000104520 2 1: GGA AM05 0 4 Ex -0.001616123 0.268171250 0.269787374 2 1: GGA AM05 0 4 Ec 0.001839278 0.001775880 0.000063398 2 1: GGA PW86 0 1 Ex -0.190133737 -0.152592629 0.037541108 2 1: GGA PW86 0 2 Ex -0.220601985 -0.258143075 0.037541090 2 1: GGA PW86 0 3 Ex -0.000681459 0.130884161 0.131565620 2 1: GGA PW86 0 4 Ex -0.003517524 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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 0.488364380 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 0.041354654 0.028076221 2 1: GGA WC 0 1 Ex -0.757948162 -0.218942096 0.539006066 2 1: GGA WC 0 2 Ex -0.652603737 -1.191609813 0.539006077 2 1: GGA WC 0 3 Ex 0.087869706 0.334339134 0.246469428 2 1: GGA WC 0 4 Ex 0.013170341 0.524428802 0.511258462 2 1: GGA PBEJsJrLO 0 1 Ex -0.740344523 -0.257415447 0.482929076 2 1: GGA PBEJsJrLO 0 2 Ex -0.671308666 -1.154237753 0.482929087 2 1: GGA PBEJsJrLO 0 3 Ex 0.057584068 0.280319378 0.222735310 2 1: GGA PBEJsJrLO 0 4 Ex 0.008630981 0.453969415 0.445338434 2 1: GGA PBEJsJrHEG 0 1 Ex -0.734341450 -0.422074663 0.312266787 2 1: GGA PBEJsJrHEG 0 2 Ex -0.696320179 -1.008586975 0.312266797 2 1: GGA PBEJsJrHEG 0 3 Ex 0.031714236 0.174745381 0.143031145 2 1: GGA PBEJsJrHEG 0 4 Ex 0.004753485 0.299330519 0.294577035 2 1: GGA PBEGcGxLO 0 1 Ex -0.708513902 -0.221799645 0.486714257 2 1: GGA PBEGcGxLO 0 2 Ex -0.646165031 -1.132879298 0.486714267 2 1: GGA PBEGcGxLO 0 3 Ex 0.052006330 0.277493419 0.225487089 2 1: GGA PBEGcGxLO 0 4 Ex 0.007794963 0.449912205 0.442117242 2 1: GGA PBEGcGxHEG 0 1 Ex -0.712630193 -0.387670408 0.324959785 2 1: GGA PBEGcGxHEG 0 2 Ex -0.674616493 -0.999576287 0.324959795 2 1: GGA PBEGcGxHEG 0 3 Ex 0.031707921 0.181078293 0.149370372 2 1: GGA PBEGcGxHEG 0 4 Ex 0.004752538 0.307798775 0.303046237 2 1: GGA PBESOL 0 1 Ex -0.708513902 -0.221799645 0.486714257 2 1: GGA PBESOL 0 2 Ex -0.646165031 -1.132879298 0.486714267 2 1: GGA PBESOL 0 3 Ex 0.052006330 0.277493419 0.225487089 2 1: GGA PBESOL 0 4 Ex 0.007794963 0.449912205 0.442117242 2 1: GGA AM05 0 1 Ex -0.491723928 0.158508434 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 0.291774640 0.313770602 2 1: GGA AM05 0 3 Ec 0.004105157 0.002687718 0.001417438 2 1: GGA AM05 0 4 Ex -0.003296862 0.503770248 0.507067110 2 1: GGA AM05 0 4 Ec 0.000615301 -0.002474070 0.003089371 2 1: GGA PW86 0 1 Ex -0.719039589 -0.151441376 0.567598213 2 1: GGA PW86 0 2 Ex -0.705212058 -1.272810282 0.567598224 2 1: GGA PW86 0 3 Ex 0.011533796 0.280209519 0.268675723 2 1: GGA PW86 0 4 Ex 0.001728742 0.479180259 0.477451518 2 1: GGA B88 0 1 Ex -0.557210103 0.458732622 1.015942724 2 1: GGA B88 0 2 Ex -0.565949653 -1.581892389 1.015942735 2 1: GGA B88 0 3 Ex -0.007289818 0.481010538 0.488300356 2 1: GGA B88 0 4 Ex -0.001092634 0.804136711 0.805229345 2 1: GGA C09 0 1 Ex -0.597250043 0.287558933 0.884808975 2 1: GGA C09 0 2 Ex -0.521153899 -1.405962884 0.884808985 2 1: GGA C09 0 3 Ex 0.063473181 0.482092065 0.418618884 2 1: GGA C09 0 4 Ex 0.009513670 0.755199040 0.745685370 2 1: GGA BH 0 1 Ex 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Ex -0.006221035 -0.042812508 0.036591474 2 1: GGA PBEGcGxHEG 0 4 Ex -0.010464352 0.017029060 0.027493412 2 1: GGA PBESOL 0 1 Ex -0.961204656 -0.939962143 0.021242513 2 1: GGA PBESOL 0 2 Ex -0.933337022 -0.954579532 0.021242511 2 1: GGA PBESOL 0 3 Ex 0.027436545 -0.014392451 0.041828996 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 -0.813675892 0.004354043 2 1: GGA AM05 0 2 Ec -0.068840416 -0.068151021 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 -0.050861338 0.052275373 2 1: GGA AM05 0 4 Ec 0.021079810 0.020101826 0.000977984 2 1: GGA PW86 0 1 Ex -0.935126665 -0.904634743 0.030491922 2 1: GGA PW86 0 2 Ex -0.913746246 -0.944238165 0.030491919 2 1: GGA PW86 0 3 Ex 0.021049681 -0.073417166 0.094466847 2 1: GGA PW86 0 4 Ex 0.035407497 0.100773935 0.065366438 2 1: GGA B88 0 1 Ex -0.825254453 -0.805066634 0.020187819 2 1: GGA B88 0 2 Ex -0.846257853 -0.866445666 0.020187813 2 1: GGA B88 0 3 Ex -0.020678495 -0.175217335 0.154538840 2 1: GGA B88 0 4 Ex -0.034783128 0.063184973 0.097968102 2 1: GGA C09 0 1 Ex -1.108926993 -1.089695316 0.019231677 2 1: GGA C09 0 2 Ex -1.020670143 -1.039901817 0.019231674 2 1: GGA C09 0 3 Ex 0.086891588 0.046984382 0.039907206 2 1: GGA C09 0 4 Ex 0.146159636 0.175690799 0.029531163 2 1: GGA BH 0 1 Ex -0.942630940 -0.924644174 0.017986766 2 1: GGA BH 0 2 Ex -0.917049177 -0.935035940 0.017986763 2 1: GGA BH 0 3 Ex 0.025186034 -0.044434746 0.069620780 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 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0.262825713 0.366235631 0.103409919 2 1: GGA LYP 0 2 Ex -0.698287606 -0.938412842 0.240125236 2 1: GGA LYP 0 2 Ec 0.224084195 0.120674276 0.103409919 2 1: GGA LYP 0 3 Ex 0.035992754 0.317626168 0.281633414 2 1: GGA LYP 0 3 Ec 0.077203134 0.190322095 0.113118962 2 1: GGA LYP 0 4 Ex -0.070497133 0.104053058 0.174550191 2 1: GGA LYP 0 4 Ec -0.151213757 -0.080213161 0.071000596 2 1: GGA WC 0 1 Ex -0.824324506 -0.714328870 0.109995636 2 1: GGA WC 0 2 Ex -0.816787642 -0.926783272 0.109995630 2 1: GGA WC 0 3 Ex -0.015019276 0.110880105 0.125899380 2 1: GGA WC 0 4 Ex 0.029417473 0.107786825 0.078369352 2 1: GGA PBEJsJrLO 0 1 Ex -0.831757961 -0.730262365 0.101495596 2 1: GGA PBEJsJrLO 0 2 Ex -0.828837613 -0.930333202 0.101495589 2 1: GGA PBEJsJrLO 0 3 Ex -0.005819596 0.110420876 0.116240473 2 1: GGA PBEJsJrLO 0 4 Ex 0.011398540 0.083747606 0.072349066 2 1: GGA PBEJsJrHEG 0 1 Ex -0.802097567 -0.730203153 0.071894414 2 1: GGA PBEJsJrHEG 0 2 Ex -0.815933887 -0.887828295 0.071894408 2 1: GGA 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0.022169576 2 1: GGA revPBE 0 2 Ex -0.136713496 -0.158883062 0.022169566 2 1: GGA revPBE 0 3 Ex -0.025542293 0.031404389 0.056946683 2 1: GGA revPBE 0 4 Ex 0.046148948 0.085755020 0.039606071 2 1: GGA LYP 0 1 Ex -0.392797164 -0.346084074 0.046713090 2 1: GGA LYP 0 1 Ec -0.866977007 -0.844403812 0.022573195 2 1: GGA LYP 0 2 Ex -0.601186864 -0.647899954 0.046713090 2 1: GGA LYP 0 2 Ec -1.180830013 -1.203403208 0.022573195 2 1: GGA LYP 0 3 Ex 0.158083681 0.260224443 0.102140762 2 1: GGA LYP 0 3 Ec 0.238087768 0.369966294 0.131878526 2 1: GGA LYP 0 4 Ex -0.285620229 -0.212046830 0.073573399 2 1: GGA LYP 0 4 Ec -0.430168897 -0.348942670 0.081226227 2 1: GGA WC 0 1 Ex -0.156948876 -0.141770348 0.015178527 2 1: GGA WC 0 2 Ex -0.120549780 -0.135728298 0.015178518 2 1: GGA WC 0 3 Ex -0.027612224 0.011376650 0.038988874 2 1: GGA WC 0 4 Ex 0.049888829 0.077005352 0.027116523 2 1: GGA PBEJsJrLO 0 1 Ex -0.156547475 -0.142516892 0.014030583 2 1: GGA PBEJsJrLO 0 2 Ex -0.120335601 -0.134366175 0.014030574 2 1: GGA PBEJsJrLO 0 3 Ex -0.027470198 0.008569966 0.036040165 2 1: GGA PBEJsJrLO 0 4 Ex 0.049632222 0.074697935 0.025065714 2 1: GGA PBEJsJrHEG 0 1 Ex -0.155374231 -0.147099385 0.008274846 2 1: GGA PBEJsJrHEG 0 2 Ex -0.114570182 -0.122845020 0.008274838 2 1: GGA PBEJsJrHEG 0 3 Ex -0.030953805 -0.009698321 0.021255484 2 1: GGA PBEJsJrHEG 0 4 Ex 0.055926284 0.070709341 0.014783057 2 1: GGA PBEGcGxLO 0 1 Ex -0.150089419 -0.135244359 0.014845061 2 1: GGA PBEGcGxLO 0 2 Ex -0.116889109 -0.131734161 0.014845052 2 1: GGA PBEGcGxLO 0 3 Ex -0.025185636 0.012946666 0.038132302 2 1: GGA PBEGcGxLO 0 4 Ex 0.045504553 0.072025336 0.026520783 2 1: GGA PBEGcGxHEG 0 1 Ex -0.150689635 -0.141638916 0.009050720 2 1: GGA PBEGcGxHEG 0 2 Ex -0.112070148 -0.121120860 0.009050712 2 1: GGA PBEGcGxHEG 0 3 Ex -0.029296605 -0.006048145 0.023248460 2 1: GGA PBEGcGxHEG 0 4 Ex 0.052932111 0.069101270 0.016169160 2 1: GGA PBESOL 0 1 Ex -0.150089419 -0.135244359 0.014845061 2 1: GGA PBESOL 0 2 Ex -0.116889109 -0.131734161 0.014845052 2 1: GGA PBESOL 0 3 Ex -0.025185636 0.012946666 0.038132302 2 1: GGA PBESOL 0 4 Ex 0.045504553 0.072025336 0.026520783 2 1: GGA AM05 0 1 Ex -0.324340181 -0.294976366 0.029363815 2 1: GGA AM05 0 1 Ec -0.036249279 -0.036315309 0.000066030 2 1: GGA AM05 0 2 Ex -0.487713455 -0.517077270 0.029363814 2 1: GGA AM05 0 2 Ec -0.053809684 -0.053743654 0.000066030 2 1: GGA AM05 0 3 Ex 0.123934382 0.189789017 0.065854636 2 1: GGA AM05 0 3 Ec 0.013321260 0.013151650 0.000169610 2 1: GGA AM05 0 4 Ex -0.223920434 -0.176759553 0.047160881 2 1: GGA AM05 0 4 Ec -0.024068401 -0.024186364 0.000117963 2 1: GGA PW86 0 1 Ex -0.273694940 -0.255127180 0.018567760 2 1: GGA PW86 0 2 Ex -0.338648211 -0.357215962 0.018567752 2 1: GGA PW86 0 3 Ex 0.049273319 0.096278069 0.047004750 2 1: GGA PW86 0 4 Ex -0.089025359 -0.056235851 0.032789508 2 1: GGA B88 0 1 Ex -0.392794580 -0.346081796 0.046712784 2 1: GGA B88 0 2 Ex -0.601184023 -0.647896804 0.046712781 2 1: GGA B88 0 3 Ex 0.158083486 0.260223481 0.102139995 2 1: GGA B88 0 4 Ex -0.285619877 -0.212047047 0.073572830 2 1: GGA C09 0 1 Ex -0.121359545 -0.087326831 0.034032714 2 1: GGA C09 0 2 Ex -0.110551012 -0.144583717 0.034032705 2 1: GGA C09 0 3 Ex -0.008199314 0.079220045 0.087419359 2 1: GGA C09 0 4 Ex 0.014814243 0.075613880 0.060799636 2 1: GGA BH 0 1 Ex -0.270612862 -0.250798836 0.019814026 2 1: GGA BH 0 2 Ex -0.334395989 -0.354210005 0.019814017 2 1: GGA BH 0 3 Ex 0.048385651 0.098601017 0.050215365 2 1: GGA BH 0 4 Ex -0.087421552 -0.052400409 0.035021143 2 1: 1: iSpin dens gradDens 1: 1 0.172927440 0.122037203 -0.569061708 -1.305320975 1: 2 0.170480555 0.583892162 -1.392736780 -0.191358599 1: 3 -0.000656489 1.430933740 0.793857205 1.565771840 1: 4 -0.000244748 0.657061579 1.338429925 0.310446793 1: GGA PW91 0 1 Ex -0.934949216 5.500222556 6.435171772 2 1: GGA PW91 0 2 Ex -0.715826439 -7.150998216 6.435171776 2 1: GGA PW91 0 3 Ex 0.058789704 11.567354853 11.508565149 2 1: GGA PW91 0 4 Ex 0.021917651 1.320462486 1.298544834 2 1: GGA PBE 0 1 Ex -0.880063482 5.896798198 6.776861680 2 1: GGA PBE 0 2 Ex -0.739697670 -7.516559353 6.776861683 2 1: GGA PBE 0 3 Ex 0.037659547 11.849748019 11.812088472 2 1: GGA PBE 0 4 Ex 0.014040023 2.206475030 2.192435006 2 1: GGA RPBE 0 1 Ex -1.013094792 6.556895101 7.569989893 2 1: GGA RPBE 0 2 Ex -0.721512556 -8.291502453 7.569989897 2 1: GGA RPBE 0 3 Ex 0.078230267 13.764085389 13.685855122 2 1: GGA RPBE 0 4 Ex 0.029165374 1.160265294 1.131099920 2 1: GGA revPBE 0 1 Ex -0.845383176 10.776389244 11.621772420 2 1: GGA revPBE 0 2 Ex -0.667711955 -12.289484379 11.621772424 2 1: GGA revPBE 0 3 Ex 0.047668429 20.076495811 20.028827382 2 1: GGA revPBE 0 4 Ex 0.017771479 4.389065885 4.371294406 2 1: GGA LYP 0 1 Ex -0.630611853 15.288351708 15.918963561 2 1: GGA LYP 0 1 Ec -0.223333123 -2.159127314 1.935794190 2 1: GGA LYP 0 2 Ex -0.608062076 -16.527025636 15.918963560 2 1: GGA LYP 0 2 Ec -0.030865829 1.904928361 1.935794190 2 1: GGA LYP 0 3 Ex 0.006050009 26.645348123 26.639298114 2 1: GGA LYP 0 3 Ec 0.051638152 -3.135803292 3.187441445 2 1: GGA LYP 0 4 Ex 0.002255531 8.122983852 8.120728321 2 1: GGA LYP 0 4 Ec 0.019251449 -1.107673995 1.126925445 2 1: GGA WC 0 1 Ex -0.804562627 7.470021132 8.274583759 2 1: GGA WC 0 2 Ex -0.647775388 -8.922359150 8.274583762 2 1: GGA WC 0 3 Ex 0.042065346 14.402688867 14.360623521 2 1: GGA WC 0 4 Ex 0.015682569 2.858958071 2.843275502 2 1: GGA PBEJsJrLO 0 1 Ex -0.803676677 6.626129095 7.429805772 2 1: GGA PBEJsJrLO 0 2 Ex -0.682939749 -8.112745524 7.429805775 2 1: GGA PBEJsJrLO 0 3 Ex 0.032393201 12.859155574 12.826762372 2 1: GGA PBEJsJrLO 0 4 Ex 0.012076654 2.746772891 2.734696238 2 1: GGA PBEJsJrHEG 0 1 Ex -0.821405932 3.825149924 4.646555856 2 1: GGA PBEJsJrHEG 0 2 Ex -0.723917798 -5.370473657 4.646555859 2 1: GGA PBEJsJrHEG 0 3 Ex 0.026155650 8.125935037 8.099779387 2 1: GGA PBEJsJrHEG 0 4 Ex 0.009751204 1.510794133 1.501042929 2 1: GGA PBEGcGxLO 0 1 Ex -0.764211204 6.855777726 7.619988929 2 1: GGA PBEGcGxLO 0 2 Ex -0.659620263 -8.279609195 7.619988932 2 1: GGA PBEGcGxLO 0 3 Ex 0.028061302 13.111695894 13.083634592 2 1: GGA PBEGcGxLO 0 4 Ex 0.010461659 3.006832419 2.996370760 2 1: GGA PBEGcGxHEG 0 1 Ex -0.792467951 4.130967193 4.923435143 2 1: GGA PBEGcGxHEG 0 2 Ex -0.701067214 -5.624502360 4.923435146 2 1: GGA PBEGcGxHEG 0 3 Ex 0.024522427 8.562888348 8.538365921 2 1: GGA PBEGcGxHEG 0 4 Ex 0.009142315 1.717821929 1.708679614 2 1: GGA PBESOL 0 1 Ex -0.764211204 6.855777726 7.619988929 2 1: GGA PBESOL 0 2 Ex -0.659620263 -8.279609195 7.619988932 2 1: GGA PBESOL 0 3 Ex 0.028061302 13.111695894 13.083634592 2 1: GGA PBESOL 0 4 Ex 0.010461659 3.006832419 2.996370760 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 17.141783295 17.142564526 2 1: GGA AM05 0 3 Ec -0.000476280 -0.073806995 0.073330715 2 1: GGA AM05 0 4 Ex -0.000291254 5.430865453 5.431156708 2 1: GGA AM05 0 4 Ec -0.000177564 -0.007079148 0.006901584 2 1: GGA PW86 0 1 Ex -0.812030077 7.916928468 8.728958545 2 1: GGA PW86 0 2 Ex -0.744759818 -9.473718366 8.728958548 2 1: GGA PW86 0 3 Ex 0.018048323 14.821365718 14.803317395 2 1: GGA PW86 0 4 Ex 0.006728676 3.933883183 3.927154508 2 1: GGA B88 0 1 Ex -0.630405052 15.285934267 15.916339318 2 1: GGA B88 0 2 Ex -0.607875386 -16.524214708 15.916339321 2 1: GGA B88 0 3 Ex 0.006044613 26.640957386 26.634912773 2 1: GGA B88 0 4 Ex 0.002253519 8.121618584 8.119365065 2 1: GGA C09 0 1 Ex -0.547558800 14.764393083 15.311951883 2 1: GGA C09 0 2 Ex -0.520160939 -15.832112825 15.311951886 2 1: GGA C09 0 3 Ex 0.007350729 25.635273418 25.627922688 2 1: GGA C09 0 4 Ex 0.002740458 7.801958902 7.799218444 2 1: GGA BH 0 1 Ex -0.791783293 10.597216278 11.388999572 2 1: GGA BH 0 2 Ex -0.529780247 -11.918779823 11.388999576 2 1: GGA BH 0 3 Ex 0.070294297 20.049050933 19.978756635 2 1: GGA BH 0 4 Ex 0.026206730 3.368227543 3.342020813 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 PW91 0 1 Ex -1.306529550 -1.293465426 0.013064124 2 1: GGA PW91 0 2 Ex -1.940639938 -1.953704074 0.013064136 2 1: GGA PW91 0 3 Ex -0.208177816 -0.190731398 0.017446418 2 1: GGA PW91 0 4 Ex -0.023389384 -0.001580832 0.021808552 2 1: GGA PBE 0 1 Ex -1.239762139 -1.277628851 0.037866713 2 1: GGA PBE 0 2 Ex -1.324929483 -1.287062783 0.037866701 2 1: GGA PBE 0 3 Ex -0.027960355 -0.090532378 0.062572023 2 1: GGA PBE 0 4 Ex -0.003141427 0.040479487 0.043620915 2 1: GGA RPBE 0 1 Ex -1.237498869 -1.271743385 0.034244516 2 1: GGA RPBE 0 2 Ex -1.508760593 -1.474516089 0.034244504 2 1: GGA RPBE 0 3 Ex -0.089054957 -0.146339268 0.057284311 2 1: GGA RPBE 0 4 Ex -0.010005584 0.035652667 0.045658251 2 1: GGA revPBE 0 1 Ex -1.237140958 -1.286446203 0.049305245 2 1: GGA revPBE 0 2 Ex -1.445823761 -1.396518528 0.049305233 2 1: GGA revPBE 0 3 Ex -0.068510359 -0.149322911 0.080812552 2 1: GGA revPBE 0 4 Ex -0.007697339 0.043218654 0.050915992 2 1: GGA LYP 0 1 Ex -1.210977690 -1.310939626 0.099961936 2 1: GGA LYP 0 1 Ec -0.099689163 -0.082908593 0.016780570 2 1: GGA LYP 0 2 Ex -0.901412397 -0.801450460 0.099961936 2 1: GGA LYP 0 2 Ec -0.368123699 -0.384904269 0.016780570 2 1: GGA LYP 0 3 Ex 0.101629981 -0.058403201 0.160033182 2 1: GGA LYP 0 3 Ec -0.088126794 -0.062906703 0.025220091 2 1: GGA LYP 0 4 Ex 0.011418425 0.080762153 0.069343728 2 1: GGA LYP 0 4 Ec -0.009901302 -0.006904068 0.002997234 2 1: GGA WC 0 1 Ex -1.272403955 -1.303249441 0.030845486 2 1: GGA WC 0 2 Ex -1.315533324 -1.284687849 0.030845475 2 1: GGA WC 0 3 Ex -0.014159329 -0.064954327 0.050794998 2 1: GGA WC 0 4 Ex -0.001590842 0.032384714 0.033975556 2 1: GGA PBEJsJrLO 0 1 Ex -1.253601992 -1.286166605 0.032564613 2 1: GGA PBEJsJrLO 0 2 Ex -1.262200443 -1.229635840 0.032564602 2 1: GGA PBEJsJrLO 0 3 Ex -0.002822863 -0.056270310 0.053447447 2 1: GGA PBEJsJrLO 0 4 Ex -0.000317157 0.033962931 0.034280087 2 1: GGA PBEJsJrHEG 0 1 Ex -1.255270440 -1.281316476 0.026046037 2 1: GGA PBEJsJrHEG 0 2 Ex -1.189773818 -1.163727793 0.026046026 2 1: GGA PBEJsJrHEG 0 3 Ex 0.021502476 -0.021539480 0.043041956 2 1: GGA PBEJsJrHEG 0 4 Ex 0.002415866 0.032444298 0.030028432 2 1: GGA PBEGcGxLO 0 1 Ex -1.259811846 -1.290314168 0.030502322 2 1: GGA PBEGcGxLO 0 2 Ex -1.222216199 -1.191713888 0.030502311 2 1: GGA PBEGcGxLO 0 3 Ex 0.012342614 -0.037500242 0.049842856 2 1: GGA PBEGcGxLO 0 4 Ex 0.001386729 0.031539493 0.030152765 2 1: GGA PBEGcGxHEG 0 1 Ex -1.260693933 -1.284566433 0.023872501 2 1: GGA PBEGcGxHEG 0 2 Ex -1.167422226 -1.143549736 0.023872490 2 1: GGA PBEGcGxHEG 0 3 Ex 0.030621010 -0.008692794 0.039313804 2 1: GGA PBEGcGxHEG 0 4 Ex 0.003440360 0.029749681 0.026309322 2 1: GGA PBESOL 0 1 Ex -1.259811846 -1.290314168 0.030502322 2 1: GGA PBESOL 0 2 Ex -1.222216199 -1.191713888 0.030502311 2 1: GGA PBESOL 0 3 Ex 0.012342614 -0.037500242 0.049842856 2 1: GGA PBESOL 0 4 Ex 0.001386729 0.031539493 0.030152765 2 1: GGA AM05 0 1 Ex -1.246024563 -1.300253436 0.054228873 2 1: GGA AM05 0 1 Ec -0.064979526 -0.063870983 0.001108543 2 1: GGA AM05 0 2 Ex -0.785608917 -0.731380044 0.054228873 2 1: GGA AM05 0 2 Ec -0.102803853 -0.103912396 0.001108543 2 1: GGA AM05 0 3 Ex 0.151154003 0.065295554 0.085858449 2 1: GGA AM05 0 3 Ec -0.012417689 -0.010565070 0.001852619 2 1: GGA AM05 0 4 Ex 0.016982593 0.046067519 0.029084927 2 1: GGA AM05 0 4 Ec -0.001395164 -0.002857568 0.001462404 2 1: GGA PW86 0 1 Ex -1.183588422 -1.252296906 0.068708484 2 1: GGA PW86 0 2 Ex -1.142943430 -1.074234958 0.068708472 2 1: GGA PW86 0 3 Ex 0.013343711 -0.098600267 0.111943978 2 1: GGA PW86 0 4 Ex 0.001499205 0.066480318 0.064981113 2 1: GGA B88 0 1 Ex -1.209814655 -1.309740546 0.099925891 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2 Ex -1.601374111 -1.578488616 0.022885495 2 1: GGA RPBE 0 3 Ex -0.119095761 -0.110980274 0.008115488 2 1: GGA RPBE 0 4 Ex 0.061343438 0.240934145 0.179590707 2 1: GGA revPBE 0 1 Ex -0.891137520 -0.913482816 0.022345297 2 1: GGA revPBE 0 2 Ex -1.609132434 -1.586787194 0.022345240 2 1: GGA revPBE 0 3 Ex -0.097358450 -0.089434279 0.007924171 2 1: GGA revPBE 0 4 Ex 0.050147058 0.225498708 0.175351650 2 1: GGA LYP 0 1 Ex -2.162622856 -2.184724776 0.022101920 2 1: GGA LYP 0 1 Ec -0.389580178 -0.404057080 0.014476902 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 0.108322708 0.039777103 2 1: GGA LYP 0 3 Ec 0.046383233 0.035262582 0.011120651 2 1: GGA LYP 0 4 Ex -0.035306236 0.200144684 0.235450920 2 1: GGA LYP 0 4 Ec -0.023890917 0.058157400 0.082048317 2 1: GGA WC 0 1 Ex -0.723913319 -0.740849741 0.016936421 2 1: GGA WC 0 2 Ex -1.644516188 -1.627579822 0.016936367 2 1: GGA WC 0 3 Ex -0.124831620 -0.118825570 0.006006050 2 1: GGA WC 0 4 Ex 0.064297845 0.197203989 0.132906144 2 1: GGA PBEJsJrLO 0 1 Ex -0.723825769 -0.739112030 0.015286260 2 1: GGA PBEJsJrLO 0 2 Ex -1.639621005 -1.624334801 0.015286204 2 1: GGA PBEJsJrLO 0 3 Ex -0.124179716 -0.118758869 0.005420847 2 1: GGA PBEJsJrLO 0 4 Ex 0.063962064 0.183918723 0.119956659 2 1: GGA PBEJsJrHEG 0 1 Ex -0.627934601 -0.642404670 0.014470069 2 1: GGA PBEJsJrHEG 0 2 Ex -1.643577952 -1.629107938 0.014470014 2 1: GGA PBEJsJrHEG 0 3 Ex -0.137718890 -0.132587558 0.005131331 2 1: GGA PBEJsJrHEG 0 4 Ex 0.070935775 0.184487329 0.113551554 2 1: GGA PBEGcGxLO 0 1 Ex -0.724055830 -0.736810940 0.012755110 2 1: GGA PBEGcGxLO 0 2 Ex -1.650946390 -1.638191333 0.012755057 2 1: GGA PBEGcGxLO 0 3 Ex -0.125684217 -0.121160908 0.004523308 2 1: GGA PBEGcGxLO 0 4 Ex 0.064736997 0.164830909 0.100093912 2 1: GGA PBEGcGxHEG 0 1 Ex -0.628135121 -0.640324339 0.012189218 2 1: GGA PBEGcGxHEG 0 2 Ex -1.653056284 -1.640867120 0.012189164 2 1: GGA PBEGcGxHEG 0 3 Ex -0.138976940 -0.134654408 0.004322531 2 1: GGA PBEGcGxHEG 0 4 Ex 0.071583768 0.167236711 0.095652943 2 1: GGA PBESOL 0 1 Ex -0.724055830 -0.736810940 0.012755110 2 1: GGA PBESOL 0 2 Ex -1.650946390 -1.638191333 0.012755057 2 1: GGA PBESOL 0 3 Ex -0.125684217 -0.121160908 0.004523308 2 1: GGA PBESOL 0 4 Ex 0.064736997 0.164830909 0.100093912 2 1: GGA AM05 0 1 Ex -1.848779528 -1.852756398 0.003976871 2 1: GGA AM05 0 1 Ec -0.250456780 -0.249914399 0.000542381 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 0.038203525 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 -1.856287800 0.029177920 2 1: GGA PW86 0 2 Ex -1.573474625 -1.544296762 0.029177863 2 1: GGA PW86 0 3 Ex 0.034392354 0.047703230 0.013310876 2 1: GGA PW86 0 4 Ex -0.017714696 0.217009036 0.234723732 2 1: GGA B88 0 1 Ex -2.162052420 -2.184132130 0.022079710 2 1: GGA B88 0 2 Ex -1.654435758 -1.632356099 0.022079659 2 1: GGA B88 0 3 Ex 0.068831646 0.108599174 0.039767528 2 1: GGA B88 0 4 Ex -0.035453569 0.199819378 0.235272947 2 1: GGA C09 0 1 Ex -0.892533561 -0.902783858 0.010250297 2 1: GGA C09 0 2 Ex -1.664712651 -1.654462410 0.010250241 2 1: GGA C09 0 3 Ex -0.104705699 -0.101070825 0.003634874 2 1: GGA C09 0 4 Ex 0.053931454 0.134368798 0.080437344 2 1: GGA BH 0 1 Ex -1.805615143 -1.816431125 0.010815982 2 1: GGA BH 0 2 Ex -1.681996081 -1.671180152 0.010815929 2 1: GGA BH 0 3 Ex 0.016762459 0.023521264 0.006758805 2 1: GGA BH 0 4 Ex -0.008633950 0.081918076 0.090552026 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 1.17 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 -1.000194951 0.000834790 2: 1 0.400 0.046677283 -0.999006885 -0.998709392 -0.000297492 2: 1 0.600 0.045524817 -0.987412253 -0.987508028 0.000095775 2: 1 0.800 0.043959010 -0.980158453 -0.980143421 -0.000015032 3: Ex, Ec = -3.716289981 -0.771674483 3: Dx, Dc = 1.192543612 0.121155159 2: 1 1.000 0.042024703 -0.963929151 -0.963927487 -0.000001664 2: 1 1.200 0.039775757 -0.949006509 -0.949005827 -0.000000683 2: 1 1.400 0.037272568 -0.929353368 -0.929356367 0.000002999 2: 1 1.600 0.034579382 -0.908100586 -0.908099075 -0.000001511 2: 1 1.800 0.031761587 -0.884442948 -0.884442166 -0.000000782 2: 1 2.000 0.028883127 -0.858808538 -0.858809376 0.000000838 3: i1 i2 i3 iSpin Vxc dExc/dDens diff 3: 2 8 13 2 -0.313847006 -0.313847001 -0.000000004 2: 1 2.200 0.026004187 -0.831341143 -0.831341120 -0.000000023 2: 1 2.400 0.023179251 -0.802320622 -0.802320401 -0.000000221 2: 1 2.600 0.020455616 -0.772056571 -0.772056929 0.000000357 2: 1 2.800 0.017872394 -0.740675199 -0.740674876 -0.000000323 2: 1 3.000 0.015460016 -0.708430779 -0.708429556 -0.000001223 2: 1 3.200 0.013240188 -0.675669578 -0.675674009 0.000004432 2: 1 3.400 0.011226266 -0.642459702 -0.642454690 -0.000005012 3: 4 2 23 2 -0.524218962 -0.524218971 0.000000009 2: 1 3.600 0.009423960 -0.609091304 -0.609092447 0.000001143 2: 1 3.800 0.007832284 -0.575839731 -0.575841528 0.000001796 2: 1 4.000 0.006444664 -0.542697531 -0.542696460 -0.000001071 2: 1 4.200 0.005250115 -0.510078329 -0.510077514 -0.000000815 2: 1 4.400 0.004234421 -0.478003232 -0.478007539 0.000004307 2: 1 4.600 0.003381238 -0.446577649 -0.446566564 -0.000011085 3: 5 6 2 1 -0.626312320 -0.626312307 -0.000000013 2: 1 4.800 0.002673091 -0.416186718 -0.416202731 0.000016013 2: 1 5.000 0.002092223 -0.386734472 -0.386724841 -0.000009631 2: 1 5.200 0.001621280 -0.359258071 -0.359253815 -0.000004256 2: 1 5.400 0.001243837 -0.329009264 -0.329019031 0.000009767 2: 1 5.600 0.000944766 -0.268263860 -0.268258609 -0.000005251 2: 1 5.800 0.000710460 -0.184072378 -0.184073423 0.000001045 2: 1 6.000 0.000528944 -0.147193854 -0.147194457 0.000000603 3: 4 2 9 2 -0.561691010 -0.561691012 0.000000002 2: 1 6.200 0.000389881 -0.169127143 -0.169125286 -0.000001857 2: 1 6.400 0.000284517 -0.195915387 -0.195917508 0.000002121 2: 1 6.600 0.000205559 -0.203472102 -0.203471426 -0.000000676 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 3: 7 3 21 1 -0.491741169 -0.491741166 -0.000000003 2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000748 2: 1 7.600 0.000034818 -0.165710223 -0.165709117 -0.000001106 2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001311 2: 1 8.000 0.000015954 -0.142174017 -0.142175066 0.000001050 2: 1 8.200 0.000010638 -0.126477393 -0.126473509 -0.000003883 2: 1 8.400 0.000007022 -0.110553043 -0.110555103 0.000002060 3: 1 2 0 2 -0.680189858 -0.680189865 0.000000007 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 -0.043053582 0.000002770 2: 1 10.200 0.000000106 -0.038722914 -0.038725317 0.000002403 2: 1 10.400 0.000000063 -0.034770816 -0.034772943 0.000002127 2: 1 10.600 0.000000037 -0.031177334 -0.031179204 0.000001871 2: 1 10.800 0.000000022 -0.027908137 -0.027909794 0.000001656 2: 1 11.000 0.000000013 -0.024937534 -0.024938989 0.000001455 2: 1 11.200 0.000000007 -0.022242269 -0.022243488 0.000001219 2: 1 11.400 0.000000004 -0.019801203 -0.019802318 0.000001115 2: 1 11.600 0.000000002 -0.017594752 -0.017595985 0.000001233 2: 1 11.800 0.000000001 -0.015604553 -0.015605214 0.000000661 2: iSpin r dens Vxc dExc/dDens diff 2: 2 0.000 0.031746818 -0.915508806 2: 2 0.200 0.031588480 -0.915751674 -0.916586277 0.000834603 2: 2 0.400 0.031118189 -0.916480278 -0.916182826 -0.000297452 2: 2 0.600 0.030349878 -0.905234497 -0.905330274 0.000095777 2: 2 0.800 0.029306007 -0.899618247 -0.899603238 -0.000015009 2: 2 1.000 0.028016469 -0.884545454 -0.884543780 -0.000001674 2: 2 1.200 0.026517171 -0.871612702 -0.871612014 -0.000000689 2: 2 1.400 0.024848378 -0.853952605 -0.853955606 0.000003001 2: 2 1.600 0.023052921 -0.835057592 -0.835056076 -0.000001515 2: 2 1.800 0.021174391 -0.813963082 -0.813962301 -0.000000781 2: 2 2.000 0.019255418 -0.791103995 -0.791104834 0.000000839 2: 2 2.200 0.017336125 -0.766590785 -0.766590764 -0.000000021 2: 2 2.400 0.015452834 -0.740674175 -0.740673952 -0.000000223 2: 2 2.600 0.013637077 -0.713633471 -0.713633829 0.000000357 2: 2 2.800 0.011914930 -0.685564496 -0.685564172 -0.000000325 2: 2 3.000 0.010306678 -0.656691901 -0.656690677 -0.000001224 2: 2 3.200 0.008826792 -0.627334141 -0.627338572 0.000004431 2: 2 3.400 0.007484177 -0.597534542 -0.597529532 -0.000005011 2: 2 3.600 0.006282640 -0.567562765 -0.567563909 0.000001145 2: 2 3.800 0.005221523 -0.537678412 -0.537680207 0.000001795 2: 2 4.000 0.004296443 -0.507860006 -0.507858937 -0.000001069 2: 2 4.200 0.003500077 -0.478500307 -0.478499491 -0.000000816 2: 2 4.400 0.002822947 -0.449602251 -0.449606558 0.000004307 2: 2 4.600 0.002254159 -0.421308745 -0.421297662 -0.000011082 2: 2 4.800 0.001782061 -0.394081537 -0.394097552 0.000016014 2: 2 5.000 0.001394815 -0.368503162 -0.368493534 -0.000009629 2: 2 5.200 0.001080853 -0.338654863 -0.338650607 -0.000004256 2: 2 5.400 0.000829225 -0.277895720 -0.277905487 0.000009767 2: 2 5.600 0.000629844 -0.196381546 -0.196376297 -0.000005249 2: 2 5.800 0.000473640 -0.161618667 -0.161619714 0.000001047 2: 2 6.000 0.000352629 -0.182070066 -0.182070669 0.000000602 2: 2 6.200 0.000259921 -0.206718897 -0.206717038 -0.000001859 2: 2 6.400 0.000189678 -0.212964826 -0.212966945 0.000002119 2: 2 6.600 0.000137039 -0.206427971 -0.206427295 -0.000000676 2: 2 6.800 0.000098022 -0.195576084 -0.195575020 -0.000001064 2: 2 7.000 0.000069415 -0.184792808 -0.184794315 0.000001508 2: 2 7.200 0.000048666 -0.176119925 -0.176118834 -0.000001092 2: 2 7.400 0.000033779 -0.169045503 -0.169046254 0.000000751 2: 2 7.600 0.000023212 -0.161554180 -0.161553078 -0.000001102 2: 2 7.800 0.000015792 -0.151793526 -0.151794847 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 -0.107835424 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 -0.057800205 0.000003816 2: 2 9.600 0.000000313 -0.051913010 -0.051915902 0.000002892 2: 2 9.800 0.000000193 -0.046631823 -0.046634643 0.000002819 2: 2 10.000 0.000000117 -0.041859516 -0.041862069 0.000002552 2: 2 10.200 0.000000071 -0.037586671 -0.037588905 0.000002235 2: 2 10.400 0.000000042 -0.033684342 -0.033686317 0.000001975 2: 2 10.600 0.000000025 -0.030139120 -0.030140870 0.000001750 2: 2 10.800 0.000000015 -0.026918806 -0.026920318 0.000001512 2: 2 11.000 0.000000008 -0.023998661 -0.023999995 0.000001334 2: 2 11.200 0.000000005 -0.021355613 -0.021356855 0.000001243 2: 2 11.400 0.000000003 -0.018968230 -0.018969162 0.000000932 2: 2 11.600 0.000000002 -0.016816386 -0.016817171 0.000000786 2: avgDiffVxc, maxDiffVxc = 0.000088744 0.000834790 7/9 Test #2: libgridxc_test2 .................. Passed 15.26 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 = 0.000006161 0.038047291 8/9 Test #4: libgridxc_test4 .................. Passed 15.82 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: -0.000006704 0.000002015 -0.000017774 3: 0.000059142 -0.000017774 0.000156789 9/9 Test #3: libgridxc_test3 .................. Passed 21.18 sec 100% tests passed, 0 tests failed out of 9 Total Test time (real) = 21.20 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary 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-i686-linux-gnu && make -j22 install DESTDIR=/build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.0.2 -B/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-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-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/CMakeFiles/libgridxc-lib.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'CMakeFiles/libgridxc-lib.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 64%] Built target libgridxc-lib make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/depend make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers 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/build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test6.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 68%] Built target libgridxc-test1 [ 72%] Built target libgridxc-test3 [ 76%] Built target libgridxc-test4 [ 80%] Built target libgridxc-test2 [ 84%] Built target libgridxc-test_libxc make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build [ 90%] Built target libgridxc-test6 [ 92%] Built target libgridxc-test_libxc2 make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_hse06.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' [ 96%] Built target libgridxc-test_match [100%] Built target libgridxc-test_hse06 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall make[2]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-linux-gnu' make[2]: Nothing to be done for 'preinstall'. make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-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/i386-linux-gnu/cmake/libgridxc/libgridxc-config.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-config-version.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/i386-linux-gnu/pkgconfig/libgridxc.pc -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/i386-linux-gnu/libgridxc.a -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-targets.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-targets-relwithdebinfo.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0 -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.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_array.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_walltime.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vdwxc.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_sorting.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_xwpbe.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_hybrids.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.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_mesh3d.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_config.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_sys.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_chkgmx.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_lda.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.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_fft3d.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_precision.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_io.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_sp.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/share/licenses/libgridxc/COPYING make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-i686-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_i386.deb'. dpkg-genbuildinfo --build=binary -O../libgridxc_2.0.2-1_i386.buildinfo dpkg-genchanges --build=binary -O../libgridxc_2.0.2-1_i386.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/120594 and its subdirectories I: Current time: Thu Dec 18 08:52:59 -12 2025 I: pbuilder-time-stamp: 1766091179 Fri Nov 15 14:30:05 UTC 2024 I: 1st build successful. Starting 2nd build on remote node ionos12-i386.debian.net. Fri Nov 15 14:30:05 UTC 2024 I: Preparing to do remote build '2' on ionos12-i386.debian.net. Fri Nov 15 14:31:58 UTC 2024 I: Deleting $TMPDIR on ionos12-i386.debian.net. Fri Nov 15 14:31:59 UTC 2024 I: libgridxc_2.0.2-1_i386.changes: Format: 1.8 Date: Thu, 14 Nov 2024 20:38:48 +0100 Source: libgridxc Binary: libgridxc-dev Architecture: i386 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: aab1f4acc6bb8e5f282de0441f404a1c71597bdd 272100 libgridxc-dev_2.0.2-1_i386.deb 902c62b9d1d53ccf84bbc21fcb95dad88e726093 5970 libgridxc_2.0.2-1_i386.buildinfo Checksums-Sha256: 0999b9118988f46c4b9352d698d40134a82bed3526855fcb23d35f604f7e06b7 272100 libgridxc-dev_2.0.2-1_i386.deb b32d88d37f35ab295e964d319fdd1cec431305ca85664e4a8d2a8d2ff87859b3 5970 libgridxc_2.0.2-1_i386.buildinfo Files: a5ddde86dfd5d6aeca478694170277d6 272100 libdevel optional libgridxc-dev_2.0.2-1_i386.deb 25f0c1dbdc274e01859a20aac50ce2e5 5970 libdevel optional libgridxc_2.0.2-1_i386.buildinfo Fri Nov 15 14:32:01 UTC 2024 I: diffoscope 283 will be used to compare the two builds: Running as unit: rb-diffoscope-i386_8-47419.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.yXzHIKNK/libgridxc_2.0.2-1.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.yXzHIKNK/libgridxc_2.0.2-1.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.yXzHIKNK/libgridxc_2.0.2-1.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.yXzHIKNK/b1/libgridxc_2.0.2-1_i386.changes /srv/reproducible-results/rbuild-debian/r-b-build.yXzHIKNK/b2/libgridxc_2.0.2-1_i386.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: 0.355s) 0.355s 2 calls outputs 0.000s 1 call cleanup ## recognizes (total time: 0.016s) 0.016s 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: 692ms CPU time consumed: 688ms Fri Nov 15 14:32:02 UTC 2024 I: diffoscope 283 found no differences in the changes files, and a .buildinfo file also exists. Fri Nov 15 14:32:02 UTC 2024 I: libgridxc from unstable built successfully and reproducibly on i386. Fri Nov 15 14:32:03 UTC 2024 I: Submitting .buildinfo files to external archives: Fri Nov 15 14:32:03 UTC 2024 I: Submitting 8.0K b1/libgridxc_2.0.2-1_i386.buildinfo.asc Fri Nov 15 14:32:03 UTC 2024 I: Submitting 8.0K b2/libgridxc_2.0.2-1_i386.buildinfo.asc Fri Nov 15 14:32:04 UTC 2024 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Fri Nov 15 14:32:04 UTC 2024 I: Done submitting .buildinfo files. Fri Nov 15 14:32:04 UTC 2024 I: Removing signed libgridxc_2.0.2-1_i386.buildinfo.asc files: removed './b1/libgridxc_2.0.2-1_i386.buildinfo.asc' removed './b2/libgridxc_2.0.2-1_i386.buildinfo.asc'