Tue Apr 1 08:36:37 UTC 2025 I: starting to build libgridxc/unstable/i386 on jenkins on '2025-04-01 08:36' Tue Apr 1 08:36:37 UTC 2025 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/i386_7/63148/console.log Tue Apr 1 08:36:37 UTC 2025 I: Downloading source for unstable/libgridxc=2.1.0-2 --2025-04-01 08:36:37-- http://deb.debian.org/debian/pool/main/libg/libgridxc/libgridxc_2.1.0-2.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_2.1.0-2.dsc’ 0K . 100% 270M=0s 2025-04-01 08:36:37 (270 MB/s) - ‘libgridxc_2.1.0-2.dsc’ saved [1986/1986] Tue Apr 1 08:36:37 UTC 2025 I: libgridxc_2.1.0-2.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA256 Format: 3.0 (quilt) Source: libgridxc Binary: libgridxc-dev Architecture: any Version: 2.1.0-2 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: edd4c136f2290215640419e025690d65c5116b4d 302641 libgridxc_2.1.0.orig.tar.bz2 af7597ed20669e776d73c7495f46ff048c31fd7d 3040 libgridxc_2.1.0-2.debian.tar.xz Checksums-Sha256: 58bedbeea073f30614148e5d6cbf32b572d92544990c43d525785d1654a4c5d7 302641 libgridxc_2.1.0.orig.tar.bz2 d2203093c7b70cd4ece2d9df2244f6b7839c655855b9ef4fc046ea14efdcaac9 3040 libgridxc_2.1.0-2.debian.tar.xz Files: 54037b32d350236219df9a1c3dd85c52 302641 libgridxc_2.1.0.orig.tar.bz2 a9093d99179d9231d4e54d2399b579e3 3040 libgridxc_2.1.0-2.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQIzBAEBCAAdFiEEnKh3dJ+rLk+paGLs3GhqJ7Q0gbAFAmfpMRQACgkQ3GhqJ7Q0 gbAhwA/8C9dp2CiJAbPkEyuu6yCABxoMWy6TpRijaG9w3GoEPUIJf9LxqrXy3ov1 lV0cRma70VuXhdqOiWcXEzOfltHkp1Dkl7xa1DjCfOSi+3r+79dggLv8X2F6a/+p fPtLfFfM7ijJnRal5NXCja0dPpxzwOxTSkZha5kNl5dPhx/FD/EGSfv4W/Ol4/Ak 04Or8n6hNRCezBIhENj10Ag4UZF6G7fOzhYEBEt487hSQHATNU+11wH1JxR8gY+M fLKLCK43254r/b6mbzVGEjCGOeOIrkdoeLtSbSne5gzKxz0GUM7MkD4q9bMHFFSA m7pCuWCJmbDH0hN81borMysvt3NjhJ/ZEwcOPoezy8ivBsFEIZlU79xM9xhN8GU5 IGFPdprbYtgrRnmsJ6reVtdm7Nbjaa6Lx0tb/zlHHtlvfwbG1P3e9nIWmSsjkO9t 2R5R3IVQClTmAfbQJDqqmtY9g6sdNr/j47yBlbH9dR7MFypvumgGYIZeLhSnftlq 54pN8soxZDi4M2i5atDi+MBwA6Xa+aotP362nSWNb2npR/C9ngZ4BvU/HQYdjx8g uU66YzgUH5emke3MLIodebX/6kxy9dk5eGDZonLlbU2YUDZLB2QEyHb1Sm2bKAzl 7iwndHJUpSWRAizGPeNaXJAjzppx7o+pux7D3NOF+Q8TdbavTPw= =bo0R -----END PGP SIGNATURE----- Tue Apr 1 08:36:37 UTC 2025 I: Checking whether the package is not for us Tue Apr 1 08:36:37 UTC 2025 I: Starting 1st build on remote node ionos12-i386.debian.net. Tue Apr 1 08:36:37 UTC 2025 I: Preparing to do remote build '1' on ionos12-i386.debian.net. Tue Apr 1 08:38:28 UTC 2025 I: Deleting $TMPDIR on ionos12-i386.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Mon Mar 31 20:36:39 -12 2025 I: pbuilder-time-stamp: 1743496599 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_2.1.0-2.dsc] I: copying [./libgridxc_2.1.0.orig.tar.bz2] I: copying [./libgridxc_2.1.0-2.debian.tar.xz] I: Extracting source dpkg-source: warning: cannot verify inline signature for ./libgridxc_2.1.0-2.dsc: unsupported subcommand dpkg-source: info: extracting libgridxc in libgridxc-2.1.0 dpkg-source: info: unpacking libgridxc_2.1.0.orig.tar.bz2 dpkg-source: info: unpacking libgridxc_2.1.0-2.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying fix_fortran_flags.patch I: using fakeroot in build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/29650/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='i386' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=11 ' DISTRIBUTION='unstable' HOME='/root' HOST_ARCH='i386' IFS=' ' INVOCATION_ID='87d0800fb8ed4bb9ad87f2df733da10f' 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='29650' 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.QkwNF2S8/pbuilderrc_VA8K --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.QkwNF2S8/b1 --logfile b1/build.log libgridxc_2.1.0-2.dsc' SUDO_GID='112' SUDO_UID='107' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://46.16.76.132:3128' I: uname -a Linux ionos12-i386 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin I: user script /srv/workspace/pbuilder/29650/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 ... 19790 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} libffi8{a} libfile-stripnondeterminism-perl{a} libgfortran-14-dev{a} libgfortran5{a} libgnutls30t64{a} libgssapi-krb5-2{a} libidn2-0{a} libjsoncpp26{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} libldap2{a} libmagic-mgc{a} libmagic1t64{a} libnghttp2-14{a} libnghttp3-9{a} libp11-kit0{a} libpipeline1{a} libpkgconf3{a} libproc2-0{a} libpsl5t64{a} librhash1{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libssh2-1t64{a} libtasn1-6{a} libtool{a} libuchardet0{a} libunistring5{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, 71 newly installed, 0 to remove and 0 not upgraded. Need to get 54.9 MB of archives. After unpacking 198 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main i386 libproc2-0 i386 2:4.0.4-7 [66.0 kB] Get: 2 http://deb.debian.org/debian unstable/main i386 procps i386 2:4.0.4-7 [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 1:5.46-4 [337 kB] Get: 5 http://deb.debian.org/debian unstable/main i386 libmagic1t64 i386 1:5.46-4 [117 kB] Get: 6 http://deb.debian.org/debian unstable/main i386 file i386 1:5.46-4 [43.4 kB] Get: 7 http://deb.debian.org/debian unstable/main i386 gettext-base i386 0.23.1-1 [245 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 1.23.0-7 [1199 kB] Get: 10 http://deb.debian.org/debian unstable/main i386 bsdextrautils i386 2.40.4-5 [96.5 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 1.4.19-7 [301 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 20240727.1 [60.2 kB] Get: 16 http://deb.debian.org/debian unstable/main i386 automake all 1:1.17-4 [862 kB] Get: 17 http://deb.debian.org/debian unstable/main i386 autopoint all 0.23.1-1 [770 kB] Get: 18 http://deb.debian.org/debian unstable/main i386 cmake-data all 3.31.6-2 [2268 kB] Get: 19 http://deb.debian.org/debian unstable/main i386 libxml2 i386 2.12.7+dfsg+really2.9.14-0.4 [732 kB] Get: 20 http://deb.debian.org/debian unstable/main i386 libarchive13t64 i386 3.7.4-1.1 [390 kB] Get: 21 http://deb.debian.org/debian unstable/main i386 libbrotli1 i386 1.1.0-2+b7 [299 kB] Get: 22 http://deb.debian.org/debian unstable/main i386 libkrb5support0 i386 1.21.3-5 [35.3 kB] Get: 23 http://deb.debian.org/debian unstable/main i386 libcom-err2 i386 1.47.2-1+b1 [24.6 kB] Get: 24 http://deb.debian.org/debian unstable/main i386 libk5crypto3 i386 1.21.3-5 [84.3 kB] Get: 25 http://deb.debian.org/debian unstable/main i386 libkeyutils1 i386 1.6.3-4 [9600 B] Get: 26 http://deb.debian.org/debian unstable/main i386 libkrb5-3 i386 1.21.3-5 [355 kB] Get: 27 http://deb.debian.org/debian unstable/main i386 libgssapi-krb5-2 i386 1.21.3-5 [149 kB] Get: 28 http://deb.debian.org/debian unstable/main i386 libunistring5 i386 1.3-2 [471 kB] Get: 29 http://deb.debian.org/debian unstable/main i386 libidn2-0 i386 2.3.8-2 [110 kB] Get: 30 http://deb.debian.org/debian unstable/main i386 libsasl2-modules-db i386 2.1.28+dfsg1-9 [20.8 kB] Get: 31 http://deb.debian.org/debian unstable/main i386 libsasl2-2 i386 2.1.28+dfsg1-9 [61.2 kB] Get: 32 http://deb.debian.org/debian unstable/main i386 libldap2 i386 2.6.9+dfsg-2 [206 kB] Get: 33 http://deb.debian.org/debian unstable/main i386 libnghttp2-14 i386 1.64.0-1 [82.4 kB] Get: 34 http://deb.debian.org/debian unstable/main i386 libnghttp3-9 i386 1.8.0-1 [78.7 kB] Get: 35 http://deb.debian.org/debian unstable/main i386 libpsl5t64 i386 0.21.2-1.1+b1 [57.7 kB] Get: 36 http://deb.debian.org/debian unstable/main i386 libffi8 i386 3.4.7-1 [21.4 kB] Get: 37 http://deb.debian.org/debian unstable/main i386 libp11-kit0 i386 0.25.5-3 [423 kB] Get: 38 http://deb.debian.org/debian unstable/main i386 libtasn1-6 i386 4.20.0-2 [51.6 kB] Get: 39 http://deb.debian.org/debian unstable/main i386 libgnutls30t64 i386 3.8.9-2 [1462 kB] Get: 40 http://deb.debian.org/debian unstable/main i386 librtmp1 i386 2.4+20151223.gitfa8646d.1-2+b5 [62.4 kB] Get: 41 http://deb.debian.org/debian unstable/main i386 libssh2-1t64 i386 1.11.1-1 [256 kB] Get: 42 http://deb.debian.org/debian unstable/main i386 libcurl4t64 i386 8.13.0~rc3-1 [427 kB] Get: 43 http://deb.debian.org/debian unstable/main i386 libexpat1 i386 2.7.1-1 [110 kB] Get: 44 http://deb.debian.org/debian unstable/main i386 libjsoncpp26 i386 1.9.6-3 [90.0 kB] Get: 45 http://deb.debian.org/debian unstable/main i386 librhash1 i386 1.4.5-1 [144 kB] Get: 46 http://deb.debian.org/debian unstable/main i386 libuv1t64 i386 1.50.0-2 [163 kB] Get: 47 http://deb.debian.org/debian unstable/main i386 cmake i386 3.31.6-2 [13.1 MB] Get: 48 http://deb.debian.org/debian unstable/main i386 libdebhelper-perl all 13.24.2 [90.9 kB] Get: 49 http://deb.debian.org/debian unstable/main i386 libtool all 2.5.4-4 [539 kB] Get: 50 http://deb.debian.org/debian unstable/main i386 dh-autoreconf all 20 [17.1 kB] Get: 51 http://deb.debian.org/debian unstable/main i386 libarchive-zip-perl all 1.68-1 [104 kB] Get: 52 http://deb.debian.org/debian unstable/main i386 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB] Get: 53 http://deb.debian.org/debian unstable/main i386 dh-strip-nondeterminism all 1.14.1-2 [8620 B] Get: 54 http://deb.debian.org/debian unstable/main i386 libelf1t64 i386 0.192-4 [195 kB] Get: 55 http://deb.debian.org/debian unstable/main i386 dwz i386 0.15-1+b1 [116 kB] Get: 56 http://deb.debian.org/debian unstable/main i386 gettext i386 0.23.1-1 [1714 kB] Get: 57 http://deb.debian.org/debian unstable/main i386 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 58 http://deb.debian.org/debian unstable/main i386 po-debconf all 1.0.21+nmu1 [248 kB] Get: 59 http://deb.debian.org/debian unstable/main i386 debhelper all 13.24.2 [919 kB] Get: 60 http://deb.debian.org/debian unstable/main i386 libgfortran5 i386 14.2.0-19 [735 kB] Get: 61 http://deb.debian.org/debian unstable/main i386 libgfortran-14-dev i386 14.2.0-19 [800 kB] Get: 62 http://deb.debian.org/debian unstable/main i386 gfortran-14-i686-linux-gnu i386 14.2.0-19 [12.5 MB] Get: 63 http://deb.debian.org/debian unstable/main i386 gfortran-14 i386 14.2.0-19 [14.5 kB] Get: 64 http://deb.debian.org/debian unstable/main i386 gfortran-i686-linux-gnu i386 4:14.2.0-1 [1280 B] Get: 65 http://deb.debian.org/debian unstable/main i386 gfortran i386 4:14.2.0-1 [1432 B] Get: 66 http://deb.debian.org/debian unstable/main i386 libpkgconf3 i386 1.8.1-4 [38.4 kB] Get: 67 http://deb.debian.org/debian unstable/main i386 libxc9 i386 5.2.3-1+b2 [2564 kB] Get: 68 http://deb.debian.org/debian unstable/main i386 libxc-dev i386 5.2.3-1+b2 [5389 kB] Get: 69 http://deb.debian.org/debian unstable/main i386 pkgconf-bin i386 1.8.1-4 [30.6 kB] Get: 70 http://deb.debian.org/debian unstable/main i386 pkgconf i386 1.8.1-4 [26.2 kB] Get: 71 http://deb.debian.org/debian unstable/main i386 pkg-config i386 1.8.1-4 [14.0 kB] Fetched 54.9 MB in 1s (60.3 MB/s) Preconfiguring packages ... 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 ... 19790 files and directories currently installed.) Preparing to unpack .../00-libproc2-0_2%3a4.0.4-7_i386.deb ... Unpacking libproc2-0:i386 (2:4.0.4-7) ... Selecting previously unselected package procps. Preparing to unpack .../01-procps_2%3a4.0.4-7_i386.deb ... Unpacking procps (2:4.0.4-7) ... 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%3a5.46-4_i386.deb ... Unpacking libmagic-mgc (1:5.46-4) ... Selecting previously unselected package libmagic1t64:i386. Preparing to unpack .../04-libmagic1t64_1%3a5.46-4_i386.deb ... Unpacking libmagic1t64:i386 (1:5.46-4) ... Selecting previously unselected package file. Preparing to unpack .../05-file_1%3a5.46-4_i386.deb ... Unpacking file (1:5.46-4) ... Selecting previously unselected package gettext-base. Preparing to unpack .../06-gettext-base_0.23.1-1_i386.deb ... Unpacking gettext-base (0.23.1-1) ... 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_1.23.0-7_i386.deb ... Unpacking groff-base (1.23.0-7) ... Selecting previously unselected package bsdextrautils. Preparing to unpack .../09-bsdextrautils_2.40.4-5_i386.deb ... Unpacking bsdextrautils (2.40.4-5) ... 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_1.4.19-7_i386.deb ... Unpacking m4 (1.4.19-7) ... 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_20240727.1_all.deb ... Unpacking autotools-dev (20240727.1) ... Selecting previously unselected package automake. 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Building tag database... -> Finished parsing the build-deps Reading package lists... Building dependency tree... Reading state information... fakeroot is already the newest version (1.37.1.1-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package I: Running cd /build/reproducible-path/libgridxc-2.1.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../libgridxc_2.1.0-2_source.changes dpkg-buildpackage: info: source package libgridxc dpkg-buildpackage: info: source version 2.1.0-2 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . dpkg-buildpackage: info: host architecture i386 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 binary dh binary --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-2.1.0' 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 -- Allowing non-prefixed variables (e.g. WITH_MPI --> LIBGRIDXC_WITH_MPI) -- >> Using value of deprecated WITH_LIBXC option variable for new variable LIBGRIDXC_WITH_LIBXC -- Setting build type to 'RelWithDebInfo' as none was specified. Using a GNU compiler -- Adding '-fallow-argument-mismatch' for GNU >= 10.0 -- Flags for Fortran-compiler (build type: RelWithDebInfo): -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -- Flags for C-compiler (build type: RelWithDebInfo): -g -O2 -- Searching for libXC library -- Checking for module 'libxc' -- Found libxc, version 5.2.3 -- Using pkg-config to search for libxcf03 -- Checking for module 'libxcf03' -- Found libxcf03, version 5.2.3 -- Using pkg-config to search for libxcf03 - found -- Searching for libXC library - found -- Configuring libgridxc tests... -- Configuring done (0.7s) -- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: CMAKE_EXPORT_NO_PACKAGE_REGISTRY CMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY FETCHCONTENT_FULLY_DISCONNECTED -- Build files have been written to: /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0' dh_auto_build -O--buildsystem=cmake cd obj-i686-linux-gnu && make -j11 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.1.0 -B/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles/libgridxc-lib.dir/DependInfo.cmake "--color=" Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles/libgridxc-lib.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles/libgridxc-lib.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles/libgridxc-lib.dir/depend.internal". Scanning dependencies of target libgridxc-lib make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' [ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o [ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o [ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o [ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o 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CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sys.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cellsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_cellsubs.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_bessph.mod CMakeFiles/libgridxc-lib.dir/gridxc_bessph.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_io.mod CMakeFiles/libgridxc-lib.dir/gridxc_io.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_sorting.mod CMakeFiles/libgridxc-lib.dir/gridxc_sorting.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o.provides.build [ 31%] Building Fortran object 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/build/reproducible-path/libgridxc-2.1.0/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_radfft.mod CMakeFiles/libgridxc-lib.dir/gridxc_radfft.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o.provides.build [ 50%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/vv_vdwxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fft3d.mod CMakeFiles/libgridxc-lib.dir/gridxc_fft3d.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o.provides.build [ 52%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/fftr.F90 -o CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_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-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/xcmod.F90 -o CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_xcmod.mod CMakeFiles/libgridxc-lib.dir/gridxc_xcmod.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o.provides.build [ 58%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o [ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/cellxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_atom.mod CMakeFiles/libgridxc-lib.dir/gridxc_atom.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o.provides.build /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-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/gridxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc.mod CMakeFiles/libgridxc-lib.dir/gridxc.mod.stamp GNU [ 64%] Linking Fortran static library libgridxc.a /usr/bin/cmake -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-2.1.0/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 -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers 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Scanning dependencies of target libgridxc-test4 Scanning dependencies of target libgridxc-test1 Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". 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Scanning dependencies of target libgridxc-test2 Scanning dependencies of target libgridxc-test_libxc2 Scanning dependencies of target libgridxc-test3 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' Scanning dependencies of target libgridxc-test_libxc Scanning dependencies of target libgridxc-test_match Scanning dependencies of target libgridxc-test6 Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". 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-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' Scanning dependencies of target libgridxc-test_hse06 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/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-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' [ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o [ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o [ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o [ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o [ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o [ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o [ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o [ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o [ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o [ 84%] Linking Fortran executable libgridxc-test_match [ 86%] Linking Fortran executable libgridxc-test_hse06 cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1 cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1 [ 88%] Linking Fortran executable libgridxc-test_libxc2 [ 90%] Linking Fortran executable libgridxc-test_libxc cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 cd /build/reproducible-path/libgridxc-2.1.0/obj-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_match.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_hse06.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' [ 92%] Linking Fortran executable libgridxc-test2 cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 [ 92%] Built target libgridxc-test_match [ 92%] Built target libgridxc-test_hse06 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' [ 94%] Linking Fortran executable libgridxc-test6 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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 cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' [ 94%] Built target libgridxc-test_libxc [ 94%] Built target libgridxc-test2 [ 94%] Built target libgridxc-test_libxc2 [ 96%] Linking Fortran executable libgridxc-test4 cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test6.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' [ 96%] Built target libgridxc-test6 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test4.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' [ 96%] Built target libgridxc-test4 [ 98%] Linking Fortran executable libgridxc-test1 cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test1.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' [ 98%] Built target libgridxc-test1 [100%] Linking Fortran executable libgridxc-test3 cd /build/reproducible-path/libgridxc-2.1.0/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-test3.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' [100%] Built target libgridxc-test3 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' dh_auto_test -O--buildsystem=cmake cd obj-i686-linux-gnu && make -j11 test ARGS\+=--verbose ARGS\+=-j11 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' Running tests... /usr/bin/ctest --force-new-ctest-process --verbose -j11 UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/libgridxc-2.1.0/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 Connected to MAKE jobserver test 1 Start 1: libgridxc_test1 1: Test command: /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/libgridxc-test1 1: Working Directory: /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu/Testers/libgridxc-test2 2: Working Directory: /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu/Testers/libgridxc-test3 3: Working Directory: /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu/Testers/libgridxc-test4 4: Working Directory: /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu/Testers/libgridxc-test6 5: Working Directory: /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu/Testers/libgridxc-test_libxc 6: Working Directory: /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu/Testers/libgridxc-test_libxc2 7: Working Directory: /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu/Testers/libgridxc-test_match 8: Working Directory: /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu/Testers/libgridxc-test_hse06 9: Working Directory: /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers 9: Test timeout computed to be: 10000000 1: 1: iSpin dens gradDens 1: 1 0.009620298 0.108842447 -0.033602747 -0.084994597 1: 2 0.012152093 0.044065426 0.013246297 -0.071968072 1: 3 0.001928684 0.031844828 0.107192853 0.033015646 1: 4 -0.000612989 0.011546504 0.034027922 -0.000777032 1: 1: func auth xyz iSpin Ex|Ec deriv(anal) deriv(num) diff err 1: LDA PZ 0 1 Ex -0.262712360 -0.262712360 0.000000000 0 1: LDA PZ 0 1 Ec -0.054303830 -0.054303830 0.000000000 0 1: LDA PZ 0 2 Ex -0.284223076 -0.284223076 0.000000000 0 1: LDA PZ 0 2 Ec -0.046284859 -0.046284859 0.000000000 0 1: LDA PZ 0 3 Ex -0.016386543 -0.016386543 0.000000000 0 1: LDA PZ 0 3 Ec 0.006108733 0.006108733 0.000000000 0 1: LDA PZ 0 4 Ex 0.005208101 0.005208101 0.000000000 0 1: LDA PZ 0 4 Ec -0.001941526 -0.001941526 0.000000000 0 1: 1: LDA PW92 0 1 Ex -0.262712353 -0.262712353 0.000000000 0 1: LDA PW92 0 1 Ec -0.053356803 -0.053356803 0.000000000 0 1: LDA PW92 0 2 Ex -0.284223068 -0.284223068 0.000000000 0 1: LDA PW92 0 2 Ec -0.046369316 -0.046369316 0.000000000 0 1: LDA PW92 0 3 Ex -0.016386543 -0.016386543 0.000000000 0 1: LDA PW92 0 3 Ec 0.005322964 0.005322964 0.000000000 0 1: LDA PW92 0 4 Ex 0.005208101 0.005208100 0.000000000 0 1: LDA PW92 0 4 Ec -0.001691786 -0.001691786 0.000000000 0 1: 1: GGA PW91 0 1 Ex -0.447396225 -0.320245694 0.127150531 2 1: GGA PW91 0 1 Ec -0.000632794 -0.000632794 0.000000000 0 1: GGA PW91 1 1 Ex 0.005601222 0.005601222 0.000000000 0 1: GGA PW91 1 1 Ec 0.000026555 0.000026555 0.000000000 0 1: GGA PW91 2 1 Ex 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0.103986111 2 1: GGA AM05 0 4 Ec -0.005588958 -0.005085525 0.000503434 2 1: GGA PW86 0 1 Ex -0.401136978 -0.387798008 0.013338970 2 1: GGA PW86 0 2 Ex -0.465895788 -0.479234758 0.013338970 2 1: GGA PW86 0 3 Ex 0.019205750 -0.035195808 0.054401558 2 1: GGA PW86 0 4 Ex -0.007399015 -0.090236369 0.082837354 2 1: GGA B88 0 1 Ex -0.331033928 -0.289816613 0.041217315 2 1: GGA B88 0 2 Ex -0.431941752 -0.473159067 0.041217315 2 1: GGA B88 0 3 Ex 0.029926591 -0.104037266 0.133963858 2 1: GGA B88 0 4 Ex -0.011529219 -0.178887201 0.167357982 2 1: GGA C09 0 1 Ex -0.280611667 -0.266953721 0.013657946 2 1: GGA C09 0 2 Ex -0.368078652 -0.381736597 0.013657945 2 1: GGA C09 0 3 Ex 0.025940394 -0.042756898 0.068697292 2 1: GGA C09 0 4 Ex -0.009993536 -0.128542677 0.118549141 2 8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 9: Built-in Ex, Ec, sum: -4.35557595 -0.64530376 -5.00087971 9: -0.96381 -0.96241 -0.95818 -0.95085 -0.94096 -0.92821 9: -0.91301 -0.89533 -0.87543 -0.85345 -0.82960 -0.80409 9: -0.77712 -0.74892 -0.71968 -0.68963 -0.65894 -0.62781 9: -0.59638 -0.56477 -0.53302 -0.50110 -0.46885 -0.43600 9: -0.40231 -0.36779 -0.33297 -0.29914 -0.26803 -0.24125 9: -0.21962 -0.20283 -0.18970 -0.17872 -0.16848 -0.15809 9: -0.14712 -0.13555 -0.12361 -0.11161 -0.09987 -0.08863 9: -0.07810 -0.06838 -0.05953 -0.05157 -0.04446 -0.03816 9: -0.03262 -0.02778 -0.02356 -0.01992 -0.01677 -0.01408 9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00036 9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 9: libxc Ex, Ec, sum: -2.09822342 -2.09822342 -4.19644685 9: -0.77367 -0.77146 -0.76482 -0.76250 -0.75239 -0.74512 9: -0.73278 -0.72042 -0.70583 -0.69001 -0.67289 -0.65467 9: -0.63545 -0.61533 -0.59429 -0.57225 -0.54897 -0.52411 9: -0.49730 -0.46848 -0.43849 -0.40992 -0.38698 -0.37290 9: -0.36315 -0.34398 -0.30778 -0.26529 -0.23213 -0.21168 9: -0.19843 -0.18753 -0.17708 -0.16672 -0.15639 -0.14595 9: -0.13516 -0.12347 -0.11059 -0.10133 -0.09618 -0.08875 9: -0.07873 -0.06891 -0.05991 -0.05182 -0.04462 -0.03827 9: -0.03269 -0.02782 -0.02359 -0.01993 -0.01678 -0.01408 9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00033 9: -0.00026 -0.00020 -0.00016 -0.00012 0.00000 0.00000 9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 9: 0.00000 0.00000 0.00000 0.00000 0.00000 1/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec 1: GGA BH 0 1 Ex -0.297468056 -0.278298767 0.019169290 2 1: GGA BH 0 2 Ex -0.452399525 -0.471568815 0.019169290 2 1: GGA BH 0 3 Ex 0.045948575 -0.037981073 0.083929648 2 1: GGA BH 0 4 Ex -0.017701688 -0.151671094 0.133969406 2 1: 1: iSpin dens gradDens 1: 1 0.035774778 -0.266539740 0.083205892 0.242259807 1: 2 0.022972133 0.081634426 -0.110906919 0.259017111 1: 3 0.013341036 -0.075095475 -0.230067422 0.269762009 1: 4 0.011794320 0.024208054 -0.235993555 0.173956559 1: GGA PW91 0 1 Ex -0.721369522 -0.795101026 0.073731504 2 1: GGA PW91 0 2 Ex -0.503383501 -0.429651997 0.073731504 2 1: GGA PW91 0 3 Ex -0.227153010 -0.198267621 0.028885389 2 1: GGA PW91 0 4 Ex -0.200817641 -0.193473586 0.007344054 2 1: GGA PBE 0 1 Ex -0.610521233 -0.591732915 0.018788317 2 1: GGA PBE 0 2 Ex -0.543985974 -0.562774291 0.018788317 2 1: GGA PBE 0 3 Ex -0.069333273 -0.078632882 0.009299609 2 1: GGA PBE 0 4 Ex -0.061295003 -0.060973124 0.000321879 2 1: GGA RPBE 0 1 Ex -0.699939405 -0.697910737 0.002028668 2 1: GGA RPBE 0 2 Ex -0.593465871 -0.595494539 0.002028668 2 1: GGA RPBE 0 3 Ex -0.110951076 -0.111989550 0.001038474 2 1: GGA RPBE 0 4 Ex -0.098087775 -0.098014168 0.000073608 2 1: GGA revPBE 0 1 Ex -0.673828955 -0.634704147 0.039124808 2 1: GGA revPBE 0 2 Ex -0.628582804 -0.667707612 0.039124808 2 1: GGA revPBE 0 3 Ex -0.047148893 -0.066427344 0.019278451 2 1: GGA revPBE 0 4 Ex -0.041682606 -0.041110805 0.000571801 2 1: GGA LYP 0 1 Ex -0.423504159 -0.173329123 0.250175035 2 1: GGA LYP 0 1 Ec 0.263359281 0.451584239 0.188224958 2 1: GGA LYP 0 2 Ex -0.402867021 -0.653042057 0.250175035 2 1: GGA LYP 0 2 Ec 0.473665374 0.285440416 0.188224958 2 1: GGA LYP 0 3 Ex -0.021504993 -0.109652635 0.088147642 2 1: GGA LYP 0 3 Ec -0.219150117 -0.372000227 0.152850110 2 1: GGA LYP 0 4 Ex -0.019011775 -0.055085938 0.036074162 2 1: GGA LYP 0 4 Ec -0.193742577 -0.123005975 0.070736602 2 1: GGA WC 0 1 Ex -0.600698068 -0.580095383 0.020602685 2 1: GGA WC 0 2 Ex -0.537389625 -0.557992310 0.020602685 2 1: GGA WC 0 3 Ex -0.065970759 -0.076113575 0.010142816 2 1: GGA WC 0 4 Ex -0.058322328 -0.058031405 0.000290923 2 1: GGA PBEJsJrLO 0 1 Ex -0.579903648 -0.555652153 0.024251495 2 1: GGA PBEJsJrLO 0 2 Ex -0.526565250 -0.550816745 0.024251495 2 1: GGA PBEJsJrLO 0 3 Ex -0.055581443 -0.067540945 0.011959502 2 1: GGA PBEJsJrLO 0 4 Ex -0.049137514 -0.048772041 0.000365473 2 1: GGA PBEJsJrHEG 0 1 Ex -0.542256619 -0.529395986 0.012860634 2 1: GGA PBEJsJrHEG 0 2 Ex -0.477341329 -0.490201963 0.012860634 2 1: GGA PBEJsJrHEG 0 3 Ex -0.067645180 -0.074010988 0.006365808 2 1: GGA PBEJsJrHEG 0 4 Ex -0.059802621 -0.059582057 0.000220565 2 1: GGA PBEGcGxLO 0 1 Ex -0.561154660 -0.533716798 0.027437862 2 8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 8: -0.00911 -0.00756 -0.00626 -0.00516 -0.00424 -0.00347 8: -0.00283 -0.00231 -0.00187 -0.00151 -0.00121 -0.00097 8: -0.00078 -0.00062 -0.00049 -0.00039 -0.00030 -0.00024 8: -0.00019 -0.00014 -0.00011 -0.00009 -0.00007 -0.00005 8: 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 8: 0.00000 0.00000 0.00000 0.00000 6: 1 1.600 0.034579382 -0.909220984 -0.909220988 0.000000004 6: 1 1.800 0.031761587 -0.886131875 -0.886131868 -0.000000006 1: GGA PBEGcGxLO 0 2 Ex -0.515670088 -0.543107951 0.027437862 2 1: GGA PBEGcGxLO 0 3 Ex -0.047397340 -0.060891032 0.013493692 2 1: GGA PBEGcGxLO 0 4 Ex -0.041902249 -0.041530780 0.000371469 2 1: GGA PBEGcGxHEG 0 1 Ex -0.531212383 -0.516354848 0.014857535 2 1: GGA PBEGcGxHEG 0 2 Ex -0.471093649 -0.485951184 0.014857535 2 1: GGA PBEGcGxHEG 0 3 Ex -0.062646913 -0.069987732 0.007340819 2 1: GGA PBEGcGxHEG 0 4 Ex -0.055383837 -0.055144208 0.000239629 2 1: GGA PBESOL 0 1 Ex -0.561154660 -0.533716798 0.027437862 2 1: GGA PBESOL 0 2 Ex -0.515670088 -0.543107951 0.027437862 2 1: GGA PBESOL 0 3 Ex -0.047397340 -0.060891032 0.013493692 2 1: GGA PBESOL 0 4 Ex -0.041902249 -0.041530780 0.000371469 2 1: GGA AM05 0 1 Ex -0.359439271 -0.192560813 0.166878458 2 1: GGA AM05 0 1 Ec -0.045591783 -0.045663247 0.000071463 2 1: GGA AM05 0 2 Ex -0.337069509 -0.503947967 0.166878458 2 1: GGA AM05 0 2 Ec -0.059755721 -0.059684258 0.000071463 2 1: GGA AM05 0 3 Ex -0.023310480 -0.082304028 0.058993548 2 1: GGA AM05 0 3 Ec 0.014759575 0.014794605 0.000035030 2 1: GGA AM05 0 4 Ex -0.020607940 -0.044450583 0.023842644 2 1: GGA PW86 0 1 Ex -0.542808454 -0.450362363 0.092446091 2 1: GGA PW86 0 2 Ex -0.502260556 -0.594706648 0.092446091 2 1: GGA PW86 0 3 Ex -0.042253063 -0.077161102 0.034908040 2 1: GGA PW86 0 4 Ex -0.037354382 -0.048043242 0.010688859 2 7: 1 0.400 0.046677283 -0.990388812 -0.990388699 -0.000000114 1: GGA B88 0 1 Ex -0.423452670 -0.173289281 0.250163389 2 6: 1 2.000 0.028883127 -0.861091739 -0.861091735 -0.000000004 1: GGA B88 0 2 Ex -0.402829329 -0.652992719 0.250163390 2 1: GGA B88 0 3 Ex -0.021490617 -0.109633341 0.088142724 2 1: GGA B88 0 4 Ex -0.018999066 -0.055072470 0.036073404 2 1: GGA C09 0 1 Ex -0.581609989 -0.514725769 0.066884220 2 1: GGA C09 0 2 Ex -0.587167167 -0.654051387 0.066884220 2 1: GGA C09 0 3 Ex 0.005790874 -0.027760551 0.033551425 2 1: GGA C09 0 4 Ex 0.005119499 0.006769726 0.001650227 2 1: GGA BH 0 1 Ex -0.557128703 -0.468188207 0.088940496 2 1: GGA BH 0 2 Ex -0.512141080 -0.601081576 0.088940496 2 1: GGA BH 0 3 Ex -0.046879492 -0.080444246 0.033564754 2 1: GGA BH 0 4 Ex -0.041444439 -0.051750095 0.010305656 2 1: 1: iSpin dens gradDens 1: 1 0.293546015 -2.921018091 -3.152542272 3.756267558 1: 2 0.745895456 -2.236095406 -3.628127629 2.819980343 1: 3 0.080267019 -4.285782017 2.478071852 0.968213065 1: 4 -0.220607002 -2.459939619 2.372646903 -0.165894043 1: GGA PW91 0 1 Ex -1.654683059 -1.697016354 0.042333295 2 2/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec 1: GGA PW91 0 2 Ex -1.180796101 -1.138462806 0.042333295 2 1: GGA PW91 0 3 Ex 0.084088737 0.021556391 0.062532346 2 1: GGA PW91 0 4 Ex -0.231110667 -0.210461113 0.020649554 2 1: GGA PBE 0 1 Ex -1.131205043 -1.161008418 0.029803376 2 1: GGA PBE 0 2 Ex -1.072915434 -1.043112058 0.029803375 2 1: GGA PBE 0 3 Ex 0.010343183 0.033535624 0.023192441 2 1: GGA PBE 0 4 Ex -0.028427350 0.010566690 0.038994040 2 1: GGA RPBE 0 1 Ex -1.251542961 -1.289591024 0.038048063 2 1: GGA RPBE 0 2 Ex -1.058710140 -1.020662078 0.038048063 2 1: GGA RPBE 0 3 Ex 0.034217165 0.050523566 0.016306401 2 1: GGA RPBE 0 4 Ex -0.094042938 -0.049101590 0.044941349 2 1: GGA revPBE 0 1 Ex -1.239842653 -1.272638888 0.032796235 2 1: GGA revPBE 0 2 Ex -1.066181332 -1.033385097 0.032796235 2 1: GGA revPBE 0 3 Ex 0.030815284 0.067552060 0.036736776 2 1: GGA revPBE 0 4 Ex -0.084693160 -0.037702671 0.046990488 2 1: GGA LYP 0 1 Ex -0.797790746 -0.811292404 0.013501658 2 1: GGA LYP 0 1 Ec -0.564947865 -0.588618818 0.023670952 2 1: GGA LYP 0 2 Ex -1.020074362 -1.006572704 0.013501657 2 1: GGA LYP 0 2 Ec -0.176178491 -0.152507539 0.023670952 2 6: 1 2.200 0.026004187 -0.834328425 -0.834328428 0.000000003 1: GGA LYP 0 3 Ex -0.039443053 0.083044818 0.122487871 2 1: GGA LYP 0 3 Ec 0.068985072 0.030846965 0.038138106 2 1: GGA LYP 0 4 Ex 0.108405842 0.166815003 0.058409161 2 1: GGA LYP 0 4 Ec -0.189599540 -0.179207581 0.010391959 2 1: GGA WC 0 1 Ex -1.131259708 -1.151831272 0.020571564 2 1: GGA WC 0 2 Ex -1.115428149 -1.094856586 0.020571564 2 1: GGA WC 0 3 Ex 0.002809226 0.022290258 0.019481032 2 1: GGA WC 0 4 Ex -0.007720917 0.020457934 0.028178852 2 1: GGA PBEJsJrLO 0 1 Ex -1.088141261 -1.110553454 0.022412193 2 1: GGA PBEJsJrLO 0 2 Ex -1.078039360 -1.055627167 0.022412193 2 1: GGA PBEJsJrLO 0 3 Ex 0.001792529 0.025354726 0.023562196 2 1: GGA PBEJsJrLO 0 4 Ex -0.004926612 0.026624239 0.031550851 2 1: GGA PBEJsJrHEG 0 1 Ex -1.023714939 -1.044234538 0.020519599 2 1: GGA PBEJsJrHEG 0 2 Ex -1.082270669 -1.061751070 0.020519599 2 1: GGA PBEJsJrHEG 0 3 Ex -0.010390405 0.005533280 0.015923684 2 1: GGA PBEJsJrHEG 0 4 Ex 0.028557135 0.055388383 0.026831248 2 1: GGA PBEGcGxLO 0 1 Ex -1.060366679 -1.079028238 0.018661558 2 1: GGA PBEGcGxLO 0 2 Ex -1.081505765 -1.062844207 0.018661558 2 1: GGA PBEGcGxLO 0 3 Ex -0.003751019 0.020412370 0.024163389 2 1: GGA PBEGcGxLO 0 4 Ex 0.010309354 0.038233653 0.027924299 2 1: GGA PBEGcGxHEG 0 1 Ex -1.008389152 -1.026085823 0.017696672 2 1: GGA PBEGcGxHEG 0 2 Ex -1.083891466 -1.066194794 0.017696672 2 1: GGA PBEGcGxHEG 0 3 Ex -0.013397487 0.002584193 0.015981680 2 1: GGA PBEGcGxHEG 0 4 Ex 0.036821841 0.060780018 0.023958177 2 6: 1 2.400 0.023179251 -0.806073217 -0.806073217 -0.000000001 1: GGA PBESOL 0 1 Ex -1.060366679 -1.079028238 0.018661558 2 1: GGA PBESOL 0 2 Ex -1.081505765 -1.062844207 0.018661558 2 1: GGA PBESOL 0 3 Ex -0.003751019 0.020412370 0.024163389 2 1: GGA PBESOL 0 4 Ex 0.010309354 0.038233653 0.027924299 2 1: GGA AM05 0 1 Ex -0.704713742 -0.703900696 0.000813046 2 1: GGA AM05 0 1 Ec -0.098069489 -0.097402189 0.000667299 2 1: GGA AM05 0 2 Ex -1.029822491 -1.030635536 0.000813045 2 1: GGA AM05 0 2 Ec -0.062202742 -0.062870041 0.000667299 2 1: GGA AM05 0 3 Ex -0.057688830 0.020814129 0.078502959 2 1: GGA AM05 0 3 Ec 0.006364365 0.006046765 0.000317600 2 1: GGA AM05 0 4 Ex 0.158552791 0.186282229 0.027729438 2 1: GGA AM05 0 4 Ec -0.017491910 -0.018291608 0.000799698 2 1: GGA PW86 0 1 Ex -0.989532597 -1.017193018 0.027660421 2 1: GGA PW86 0 2 Ex -1.050568422 -1.022908001 0.027660421 2 1: GGA PW86 0 3 Ex -0.010830485 0.048580551 0.059411035 2 1: GGA PW86 0 4 Ex 0.029766656 0.079741655 0.049974999 2 1: GGA B88 0 1 Ex -0.797410894 -0.810901064 0.013490170 2 1: GGA B88 0 2 Ex -1.019313775 -1.005823605 0.013490170 2 1: GGA B88 0 3 Ex -0.039375494 0.083086372 0.122461866 2 1: GGA B88 0 4 Ex 0.108220161 0.166608083 0.058387922 2 1: GGA C09 0 1 Ex -1.246614251 -1.261692881 0.015078631 2 1: GGA C09 0 2 Ex -1.114572636 -1.099494005 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0.111610213 0.118539156 0.006928943 2 1: GGA PBEJsJrLO 0 1 Ex -1.517559904 -1.414142757 0.103417147 2 1: GGA PBEJsJrLO 0 2 Ex -1.616672737 -1.720089884 0.103417147 2 1: GGA PBEJsJrLO 0 3 Ex -0.077272001 -0.002363245 0.074908756 2 1: GGA PBEJsJrLO 0 4 Ex 0.105771783 0.112043459 0.006271676 2 1: GGA PBEJsJrHEG 0 1 Ex -1.535919344 -1.449142110 0.086777233 2 1: GGA PBEJsJrHEG 0 2 Ex -1.634720215 -1.721497448 0.086777233 2 1: GGA PBEJsJrHEG 0 3 Ex -0.077028784 -0.018119048 0.058909736 2 1: GGA PBEJsJrHEG 0 4 Ex 0.105438863 0.107818557 0.002379694 2 1: GGA PBEGcGxLO 0 1 Ex -1.474312358 -1.381673143 0.092639215 2 1: GGA PBEGcGxLO 0 2 Ex -1.604403799 -1.697043014 0.092639214 2 1: GGA PBEGcGxLO 0 3 Ex -0.101424061 -0.031697448 0.069726613 2 1: GGA PBEGcGxLO 0 4 Ex 0.138831707 0.146367246 0.007535539 2 1: GGA PBEGcGxHEG 0 1 Ex -1.505385881 -1.427486260 0.077899621 2 1: GGA PBEGcGxHEG 0 2 Ex -1.625925118 -1.703824739 0.077899622 2 1: GGA PBEGcGxHEG 0 3 Ex -0.093976811 -0.039275248 0.054701563 2 1: GGA PBEGcGxHEG 0 4 Ex 0.128637732 0.132102486 0.003464754 2 1: GGA PBESOL 0 1 Ex -1.474312358 -1.381673143 0.092639215 2 1: GGA PBESOL 0 2 Ex -1.604403799 -1.697043014 0.092639214 2 1: GGA PBESOL 0 3 Ex -0.101424061 -0.031697448 0.069726613 2 1: GGA PBESOL 0 4 Ex 0.138831707 0.146367246 0.007535539 2 6: 2 10.200 0.000000071 -0.018492378 -0.018492312 -0.000000066 7: 2 2.400 0.015452834 -0.730277351 -0.730277353 0.000000001 1: GGA AM05 0 1 Ex -1.225389724 -1.155516275 0.069873449 2 1: GGA AM05 0 1 Ec -0.100617283 -0.103208058 0.002590776 2 1: GGA AM05 0 2 Ex -1.505029898 -1.574903347 0.069873449 2 1: GGA AM05 0 2 Ec -0.083121220 -0.080530444 0.002590776 2 1: GGA AM05 0 3 Ex -0.218017740 -0.150378519 0.067639221 2 1: GGA AM05 0 3 Ec 0.013640572 0.012106936 0.001533637 2 1: GGA AM05 0 4 Ex 0.298427954 0.315104804 0.016676850 2 1: GGA AM05 0 4 Ec -0.018671545 -0.018578114 0.000093431 2 1: GGA PW86 0 1 Ex -1.489548066 -1.326921653 0.162626412 2 1: GGA PW86 0 2 Ex -1.566619001 -1.729245413 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0.534769634 2 1: GGA revPBE 0 3 Ex 0.061646399 0.759307752 0.697661353 2 1: GGA revPBE 0 4 Ex -0.005001906 -0.500025257 0.495023352 2 1: GGA LYP 0 1 Ex -1.297983603 -1.778216845 0.480233242 2 1: GGA LYP 0 1 Ec -0.123440534 -0.099289080 0.024151454 2 1: GGA LYP 0 2 Ex -1.520769588 -1.040536346 0.480233242 2 1: GGA LYP 0 2 Ec -0.062776881 -0.086928336 0.024151454 2 1: GGA LYP 0 3 Ex 0.080736541 0.708700445 0.627963904 2 1: GGA LYP 0 3 Ec -0.021984208 -0.057446119 0.035461910 2 1: GGA LYP 0 4 Ex -0.006550854 -0.433210426 0.426659572 2 1: GGA LYP 0 4 Ec 0.001783769 -0.024589771 0.026373540 2 1: GGA WC 0 1 Ex -1.330411296 -1.687514219 0.357102923 2 1: GGA WC 0 2 Ex -1.582510756 -1.225407832 0.357102924 2 1: GGA WC 0 3 Ex 0.091359599 0.559482331 0.468122732 2 1: GGA WC 0 4 Ex -0.007412795 -0.310297463 0.302884668 2 1: GGA PBEJsJrLO 0 1 Ex -1.362053541 -1.716971972 0.354918431 2 1: GGA PBEJsJrLO 0 2 Ex -1.534550197 -1.179631765 0.354918432 2 1: GGA PBEJsJrLO 0 3 Ex 0.062511936 0.525117173 0.462605237 2 1: GGA PBEJsJrLO 0 4 Ex -0.005072134 -0.338811783 0.333739649 2 6: 2 10.600 0.000000025 -0.013068736 -0.013068682 -0.000000053 1: GGA PBEJsJrHEG 0 1 Ex -1.442262392 -1.719314984 0.277052592 2 1: GGA PBEJsJrHEG 0 2 Ex -1.571900981 -1.294848389 0.277052592 2 1: GGA PBEJsJrHEG 0 3 Ex 0.046980384 0.405966879 0.358986495 2 1: GGA PBEJsJrHEG 0 4 Ex -0.003811925 -0.290551575 0.286739650 2 1: GGA PBEGcGxLO 0 1 Ex -1.341648571 -1.666042820 0.324394249 2 1: GGA PBEGcGxLO 0 2 Ex -1.545416066 -1.221021817 0.324394249 2 7: 2 2.800 0.011914930 -0.671294327 -0.671294326 -0.000000001 1: GGA PBEGcGxLO 0 3 Ex 0.073844334 0.497817225 0.423972891 2 1: GGA PBEGcGxLO 0 4 Ex -0.005991630 -0.296815013 0.290823383 2 1: GGA PBEGcGxHEG 0 1 Ex -1.413700421 -1.673758597 0.260058177 2 1: GGA PBEGcGxHEG 0 2 Ex -1.574663440 -1.314605263 0.260058177 2 1: GGA PBEGcGxHEG 0 3 Ex 0.058332203 0.396424299 0.338092096 2 1: GGA PBEGcGxHEG 0 4 Ex -0.004732996 -0.260008456 0.255275460 2 1: GGA PBESOL 0 1 Ex -1.341648571 -1.666042820 0.324394249 2 1: GGA PBESOL 0 2 Ex -1.545416066 -1.221021817 0.324394249 2 1: GGA PBESOL 0 3 Ex 0.073844334 0.497817225 0.423972891 2 1: GGA PBESOL 0 4 Ex -0.005991630 -0.296815013 0.290823383 2 1: GGA AM05 0 1 Ex -1.252736104 -1.497552802 0.244816698 2 1: GGA AM05 0 1 Ec -0.091145478 -0.086638310 0.004507167 2 1: GGA AM05 0 2 Ex -1.553325495 -1.308508797 0.244816698 2 1: GGA AM05 0 2 Ec -0.078709784 -0.083216951 0.004507167 2 1: GGA AM05 0 3 Ex 0.108932111 0.432960944 0.324028833 2 1: GGA AM05 0 3 Ec -0.004506634 -0.010153222 0.005646588 2 1: GGA AM05 0 4 Ex -0.008838605 -0.178266501 0.169427896 2 1: GGA AM05 0 4 Ec 0.000365662 0.007415262 0.007049600 2 1: GGA PW86 0 1 Ex -1.494928238 -1.897554436 0.402626198 2 1: GGA PW86 0 2 Ex -1.547995780 -1.145369582 0.402626198 2 1: GGA PW86 0 3 Ex 0.019231415 0.538553157 0.519321742 2 6: 2 10.800 0.000000015 -0.010928714 -0.010928683 -0.000000031 1: GGA PW86 0 4 Ex -0.001560411 -0.447532208 0.445971797 2 1: GGA B88 0 1 Ex -1.296217518 -1.776053017 0.479835499 2 1: GGA B88 0 2 Ex -1.518263795 -1.038428296 0.479835499 2 1: GGA B88 0 3 Ex 0.080468474 0.707917575 0.627449101 2 1: GGA B88 0 4 Ex -0.006529104 -0.432770054 0.426240950 2 1: GGA C09 0 1 Ex -1.186413562 -1.568171650 0.381758088 2 1: GGA C09 0 2 Ex -1.524249508 -1.142491420 0.381758088 2 1: GGA C09 0 3 Ex 0.122430078 0.626660544 0.504230465 2 1: GGA C09 0 4 Ex -0.009933812 -0.287050686 0.277116874 2 1: GGA BH 0 1 Ex -1.046664742 -1.524339665 0.477674923 2 1: GGA BH 0 2 Ex -1.492982096 -1.015307173 0.477674923 2 7: 2 3.000 0.010306678 -0.640127830 -0.640127827 -0.000000002 1: GGA BH 0 3 Ex 0.161743205 0.795575863 0.633832658 2 1: GGA BH 0 4 Ex -0.013123626 -0.323950729 0.310827103 2 1: 1: iSpin dens gradDens 1: 1 0.216783887 -2.334654185 1.597795925 -1.221101108 1: 2 0.282387020 1.703145350 -0.599922348 0.845013529 1: 3 0.002514839 1.564573851 -2.381647353 0.414496265 1: 4 -0.035766055 -2.275572803 -1.456385695 0.481254059 1: GGA PW91 0 1 Ex -1.125854728 -1.223299869 0.097445140 2 1: GGA PW91 0 2 Ex -0.857744792 -0.760299651 0.097445140 2 1: GGA PW91 0 3 Ex 0.010277761 -0.221986122 0.232263883 2 1: GGA PW91 0 4 Ex -0.146170378 -0.073133334 0.073037044 2 1: GGA PBE 0 1 Ex -0.974386045 -1.051602712 0.077216666 2 1: GGA PBE 0 2 Ex -0.850043571 -0.772826904 0.077216667 2 1: GGA PBE 0 3 Ex 0.004766561 -0.344169809 0.348936370 2 1: GGA PBE 0 4 Ex -0.067790052 -0.021508493 0.046281559 2 1: GGA RPBE 0 1 Ex -1.135299013 -1.260842262 0.125543249 2 1: GGA RPBE 0 2 Ex -0.822659233 -0.697115983 0.125543249 2 1: GGA RPBE 0 3 Ex 0.011984774 -0.363794795 0.375779569 2 1: GGA RPBE 0 4 Ex -0.170447524 -0.081732398 0.088715126 2 6: 2 11.000 0.000000008 -0.009107337 -0.009107290 -0.000000047 1: GGA revPBE 0 1 Ex -0.965475209 -1.072442512 0.106967303 2 1: GGA revPBE 0 2 Ex -0.779297015 -0.672329712 0.106967303 2 1: GGA revPBE 0 3 Ex 0.007136979 -0.568863900 0.576000879 2 1: GGA revPBE 0 4 Ex -0.101502157 -0.043901575 0.057600582 2 1: GGA LYP 0 1 Ex -0.689756471 -0.763260828 0.073504357 2 1: GGA LYP 0 1 Ec -0.122690337 -0.157305674 0.034615337 2 1: GGA LYP 0 2 Ex -0.720939250 -0.647434892 0.073504357 2 1: GGA LYP 0 2 Ec -0.082870963 -0.048255627 0.034615337 2 1: GGA LYP 0 3 Ex -0.001195365 -0.841892097 0.840696733 2 1: GGA LYP 0 3 Ec 0.001526441 0.174280987 0.172754546 2 1: GGA LYP 0 4 Ex 0.017000484 0.025300004 0.008299520 2 1: GGA LYP 0 4 Ec -0.021709053 0.022184162 0.043893215 2 1: GGA WC 0 1 Ex -0.921198070 -1.000143888 0.078945818 2 1: GGA WC 0 2 Ex -0.779838426 -0.700892607 0.078945818 2 1: GGA WC 0 3 Ex 0.005418899 -0.378885468 0.384304367 2 7: 2 3.200 0.008826792 -0.608140908 -0.608140905 -0.000000003 1: GGA WC 0 4 Ex -0.077067612 -0.031687072 0.045380540 2 1: GGA PBEJsJrLO 0 1 Ex -0.899756534 -0.970513934 0.070757400 2 1: GGA PBEJsJrLO 0 2 Ex -0.798003834 -0.727246433 0.070757400 2 1: GGA PBEJsJrLO 0 3 Ex 0.003900601 -0.366016469 0.369917070 2 1: GGA PBEJsJrLO 0 4 Ex -0.055474373 -0.016591928 0.038882445 2 1: GGA PBEJsJrHEG 0 1 Ex -0.902466188 -0.955507112 0.053040925 2 1: GGA PBEJsJrHEG 0 2 Ex -0.838589776 -0.785548852 0.053040925 2 1: GGA PBEJsJrHEG 0 3 Ex 0.002448647 -0.236903104 0.239351751 2 1: GGA PBEJsJrHEG 0 4 Ex -0.034824667 -0.003009743 0.031814924 2 1: GGA PBEGcGxLO 0 1 Ex -0.859560630 -0.924657249 0.065096619 2 1: GGA PBEGcGxLO 0 2 Ex -0.777777401 -0.712680782 0.065096619 2 1: GGA PBEGcGxLO 0 3 Ex 0.003135089 -0.371496957 0.374632046 2 6: 2 11.200 0.000000005 -0.007563161 -0.007563164 0.000000004 1: GGA PBEGcGxLO 0 4 Ex -0.044587252 -0.011227918 0.033359334 2 1: GGA PBEGcGxHEG 0 1 Ex -0.874473337 -0.925591033 0.051117696 2 1: GGA PBEGcGxHEG 0 2 Ex -0.817294387 -0.766176690 0.051117696 2 1: GGA PBEGcGxHEG 0 3 Ex 0.002191905 -0.246414962 0.248606867 2 1: GGA PBEGcGxHEG 0 4 Ex -0.031173290 -0.001772948 0.029400342 2 1: GGA PBESOL 0 1 Ex -0.859560630 -0.924657249 0.065096619 2 1: GGA PBESOL 0 2 Ex -0.777777401 -0.712680782 0.065096619 2 1: GGA PBESOL 0 3 Ex 0.003135089 -0.371496957 0.374632046 2 1: GGA PBESOL 0 4 Ex -0.044587252 -0.011227918 0.033359334 2 1: GGA AM05 0 1 Ex -0.613197775 -0.652733167 0.039535392 2 1: GGA AM05 0 1 Ec -0.066579425 -0.065886216 0.000693209 2 1: GGA AM05 0 2 Ex -0.679056526 -0.639521133 0.039535392 2 1: GGA AM05 0 2 Ec -0.058966195 -0.059659404 0.000693209 2 1: GGA AM05 0 3 Ex -0.002524638 -0.540658243 0.538133605 2 1: GGA AM05 0 3 Ec 0.000291847 0.002613498 0.002321651 2 1: GGA AM05 0 4 Ex 0.035905415 0.034325800 0.001579615 2 1: GGA AM05 0 4 Ec -0.004150643 -0.004623151 0.000472508 2 7: 2 3.400 0.007484177 -0.575559240 -0.575559242 0.000000001 1: GGA PW86 0 1 Ex -0.886058325 -0.947263167 0.061204843 2 1: GGA PW86 0 2 Ex -0.863710815 -0.802505973 0.061204843 2 1: GGA PW86 0 3 Ex 0.000856672 -0.462857477 0.463714150 2 1: GGA PW86 0 4 Ex -0.012183599 0.011342850 0.023526449 2 1: GGA B88 0 1 Ex -0.689491197 -0.762975751 0.073484554 2 1: GGA B88 0 2 Ex -0.720633187 -0.647148633 0.073484554 2 1: GGA B88 0 3 Ex -0.001193801 -0.841720760 0.840526959 2 1: GGA B88 0 4 Ex 0.016978246 0.025271542 0.008293296 2 1: GGA C09 0 1 Ex -0.671917314 -0.740847731 0.068930417 2 1: GGA C09 0 2 Ex -0.656290291 -0.587359874 0.068930418 2 1: GGA C09 0 3 Ex 0.000599048 -0.726702670 0.727301718 2 1: GGA C09 0 4 Ex -0.008519668 0.003558235 0.012077903 2 6: 2 11.400 0.000000003 -0.006258998 -0.006258995 -0.000000003 1: GGA BH 0 1 Ex -0.857022485 -0.978020843 0.120998358 2 1: GGA BH 0 2 Ex -0.621683793 -0.500685435 0.120998358 2 1: GGA BH 0 3 Ex 0.009021504 -0.591669502 0.600691006 2 1: GGA BH 0 4 Ex -0.128303881 -0.059571266 0.068732615 2 1: 1: iSpin dens gradDens 1: 1 0.013224333 0.057002710 -0.070468344 -0.016851666 1: 2 0.009023898 -0.044899389 -0.026376120 -0.102467346 1: 3 -0.000336973 0.085432333 -0.010321312 -0.049715666 1: 4 -0.000378996 -0.070758815 0.050713106 -0.023264084 1: GGA PW91 0 1 Ex -0.491500635 -0.519457744 0.027957109 2 1: GGA PW91 0 2 Ex -0.598473542 -0.570516433 0.027957109 2 1: GGA PW91 0 3 Ex -0.008581737 -0.031971562 0.023389825 2 1: GGA PW91 0 4 Ex -0.009651936 -0.143780598 0.134128662 2 1: GGA PBE 0 1 Ex -0.409127117 -0.403879714 0.005247403 2 1: GGA PBE 0 2 Ex -0.435115383 -0.440362786 0.005247403 2 1: GGA PBE 0 3 Ex -0.002084869 -0.124554251 0.122469382 2 1: GGA PBE 0 4 Ex -0.002344866 0.135623827 0.137968692 2 1: GGA RPBE 0 1 Ex -0.492926910 -0.491297032 0.001629878 2 1: GGA RPBE 0 2 Ex -0.465320313 -0.466950191 0.001629878 2 1: GGA RPBE 0 3 Ex 0.002214697 -0.052290478 0.054505175 2 1: GGA RPBE 0 4 Ex 0.002490884 0.059984579 0.057493695 2 7: 2 3.600 0.006282640 -0.542620903 -0.542620903 0.000000000 1: GGA revPBE 0 1 Ex -0.414275692 -0.403538419 0.010737273 2 1: GGA revPBE 0 2 Ex -0.509649270 -0.520386543 0.010737273 2 1: GGA revPBE 0 3 Ex -0.007651199 -0.246167063 0.238515864 2 1: GGA revPBE 0 4 Ex -0.008605354 0.262964936 0.271570289 2 1: GGA LYP 0 1 Ex -0.276943110 -0.220924925 0.056018185 2 1: GGA LYP 0 1 Ec -0.114836310 -0.150209164 0.035372855 2 1: GGA LYP 0 2 Ex -0.297469043 -0.353487228 0.056018185 2 1: GGA LYP 0 2 Ec -0.500801812 -0.465428957 0.035372855 2 1: GGA LYP 0 3 Ex -0.001646661 -0.463594140 0.461947478 2 1: GGA LYP 0 3 Ec -0.030963489 -0.233943127 0.202979638 2 6: 2 11.600 0.000000002 -0.005161710 -0.005161563 -0.000000147 6: avgDiffVxc, maxDiffVxc = 0.000000043 0.000000405 1: GGA LYP 0 4 Ex -0.001852011 0.719301312 0.721153323 2 1: GGA LYP 0 4 Ec -0.034824840 -0.050371013 0.015546173 2 1: GGA WC 0 1 Ex -0.390549397 -0.384557364 0.005992033 2 1: GGA WC 0 2 Ex -0.431612307 -0.437604341 0.005992033 2 1: GGA WC 0 3 Ex -0.003294209 -0.148164819 0.144870610 2 1: GGA WC 0 4 Ex -0.003705018 0.158307458 0.162012476 2 1: GGA PBEJsJrLO 0 1 Ex -0.377226345 -0.370553988 0.006672356 2 1: GGA PBEJsJrLO 0 2 Ex -0.423080360 -0.429752716 0.006672356 2 1: GGA PBEJsJrLO 0 3 Ex -0.003678568 -0.153199267 0.149520699 2 1: GGA PBEJsJrLO 0 4 Ex -0.004137310 0.165779687 0.169916996 2 1: GGA PBEJsJrHEG 0 1 Ex -0.373062599 -0.369470150 0.003592449 2 1: GGA PBEJsJrHEG 0 2 Ex -0.379749839 -0.383342289 0.003592449 2 1: GGA PBEJsJrHEG 0 3 Ex -0.000536474 -0.084412128 0.083875655 2 1: GGA PBEJsJrHEG 0 4 Ex -0.000603375 0.093879864 0.094483239 2 3/9 Test #6: libgridxc_test_libxc ............. Passed 0.15 sec 1: GGA PBEGcGxLO 0 1 Ex -0.359162169 -0.351670234 0.007491935 2 1: GGA PBEGcGxLO 0 2 Ex -0.414917500 -0.422409435 0.007491935 2 1: GGA PBEGcGxLO 0 3 Ex -0.004472886 -0.167545208 0.163072322 2 1: GGA PBEGcGxLO 0 4 Ex -0.005030684 0.181477058 0.186507742 2 1: GGA PBEGcGxHEG 0 1 Ex -0.361292146 -0.357176013 0.004116132 2 1: GGA PBEGcGxHEG 0 2 Ex -0.375538142 -0.379654274 0.004116133 2 1: GGA PBEGcGxHEG 0 3 Ex -0.001142863 -0.095306164 0.094163301 2 1: GGA PBEGcGxHEG 0 4 Ex -0.001285386 0.105246816 0.106532202 2 1: GGA PBESOL 0 1 Ex -0.359162169 -0.351670234 0.007491935 2 1: GGA PBESOL 0 2 Ex -0.414917500 -0.422409435 0.007491935 2 1: GGA PBESOL 0 3 Ex -0.004472886 -0.167545208 0.163072322 2 1: GGA PBESOL 0 4 Ex -0.005030684 0.181477058 0.186507742 2 7: 2 3.800 0.005221523 -0.509578436 -0.509578435 -0.000000001 1: GGA AM05 0 1 Ex -0.241946100 -0.204298214 0.037647886 2 1: GGA AM05 0 1 Ec -0.036471576 -0.036504295 0.000032718 2 1: GGA AM05 0 2 Ex -0.247520890 -0.285168776 0.037647886 2 1: GGA AM05 0 2 Ec -0.045184733 -0.045152014 0.000032718 2 1: GGA AM05 0 3 Ex -0.000447229 -0.308414844 0.307967615 2 1: GGA AM05 0 3 Ec -0.000699000 0.000103070 0.000802070 2 1: GGA AM05 0 4 Ex -0.000503001 0.481944138 0.482447139 2 1: GGA AM05 0 4 Ec -0.000786169 -0.001680617 0.000894448 2 1: GGA PW86 0 1 Ex -0.362065357 -0.339735774 0.022329582 2 1: GGA PW86 0 2 Ex -0.378624326 -0.400953908 0.022329582 2 1: GGA PW86 0 3 Ex -0.001328418 -0.226559921 0.225231503 2 1: GGA PW86 0 4 Ex -0.001494080 0.322503888 0.323997969 2 1: GGA B88 0 1 Ex -0.276927464 -0.220910697 0.056016767 2 1: GGA B88 0 2 Ex -0.297454410 -0.353471177 0.056016767 2 1: GGA B88 0 3 Ex -0.001646743 -0.463580240 0.461933497 2 1: GGA B88 0 4 Ex -0.001852102 0.719280934 0.721133036 2 1: GGA C09 0 1 Ex -0.282344257 -0.267915842 0.014428415 2 1: GGA C09 0 2 Ex -0.533417398 -0.547845813 0.014428415 2 1: GGA C09 0 3 Ex -0.020141957 -0.446587307 0.426445350 2 1: GGA C09 0 4 Ex -0.022653792 0.436463072 0.459116863 2 1: GGA BH 0 1 Ex -0.371585653 -0.350035489 0.021550164 2 1: GGA BH 0 2 Ex -0.387881856 -0.409432020 0.021550164 2 1: GGA BH 0 3 Ex -0.001307338 -0.222865599 0.221558261 2 1: GGA BH 0 4 Ex -0.001470372 0.314942475 0.316412847 2 1: 1: iSpin dens gradDens 1: 1 0.206268958 -0.110984432 -2.468858538 2.625848884 1: 2 0.593168397 -2.443640734 3.263826459 -2.715924101 1: 3 -0.049543750 2.341075190 1.333105006 2.161362200 1: 4 -0.079374003 -0.592555733 -2.646851084 -2.031506528 1: GGA PW91 0 1 Ex -1.316763664 -1.305608565 0.011155099 2 1: GGA PW91 0 2 Ex -0.978668863 -0.989823962 0.011155100 2 1: GGA PW91 0 3 Ex -0.043294155 -0.011676620 0.031617534 2 7: 2 4.000 0.004296443 -0.476699712 -0.476699712 0.000000000 1: GGA PW91 0 4 Ex -0.069361532 -0.116283723 0.046922191 2 1: GGA PBE 0 1 Ex -1.022149276 -0.998536351 0.023612926 2 1: GGA PBE 0 2 Ex -0.955042773 -0.978655699 0.023612926 2 1: GGA PBE 0 3 Ex -0.008593209 0.003774905 0.012368114 2 1: GGA PBE 0 4 Ex -0.013767174 -0.079036360 0.065269186 2 1: GGA RPBE 0 1 Ex -1.218046436 -1.192815261 0.025231176 2 1: GGA RPBE 0 2 Ex -0.895490810 -0.920721986 0.025231176 2 1: GGA RPBE 0 3 Ex -0.041304312 -0.015161298 0.026143015 2 1: GGA RPBE 0 4 Ex -0.066173606 -0.143984811 0.077811205 2 1: GGA revPBE 0 1 Ex -1.058534088 -1.024921011 0.033613077 2 1: GGA revPBE 0 2 Ex -0.902752893 -0.936365970 0.033613077 2 1: GGA revPBE 0 3 Ex -0.019948296 -0.011479005 0.008469291 2 1: GGA revPBE 0 4 Ex -0.031959149 -0.119167057 0.087207907 2 1: GGA LYP 0 1 Ex -0.693621410 -0.645882260 0.047739150 2 1: GGA LYP 0 1 Ec 0.029374748 0.028700406 0.000674341 2 1: GGA LYP 0 2 Ex -0.928643895 -0.976383045 0.047739150 2 1: GGA LYP 0 2 Ec -0.028150464 -0.027476123 0.000674341 2 1: GGA LYP 0 3 Ex 0.030095405 0.005485582 0.024609823 2 1: GGA LYP 0 3 Ec 0.007366293 0.036056608 0.028690315 2 1: GGA LYP 0 4 Ex 0.048215824 -0.052772685 0.100988509 2 1: GGA LYP 0 4 Ec 0.011801533 -0.004462920 0.016264452 2 1: GGA WC 0 1 Ex -0.996156114 -0.976591508 0.019564606 2 1: GGA WC 0 2 Ex -0.988181849 -1.007746456 0.019564606 2 1: GGA WC 0 3 Ex -0.001021131 0.004676231 0.005697362 2 1: GGA WC 0 4 Ex -0.001635953 -0.052874848 0.051238895 2 1: GGA PBEJsJrLO 0 1 Ex -0.952884276 -0.930875505 0.022008771 2 1: GGA PBEJsJrLO 0 2 Ex -0.949752763 -0.971761534 0.022008770 2 1: GGA PBEJsJrLO 0 3 Ex -0.000401000 0.006124248 0.006525249 2 1: GGA PBEJsJrLO 0 4 Ex -0.000642443 -0.058354988 0.057712546 2 1: GGA PBEJsJrHEG 0 1 Ex -0.929160322 -0.912937577 0.016222745 2 7: 2 4.200 0.003500077 -0.444266875 -0.444266874 -0.000000001 1: GGA PBEJsJrHEG 0 2 Ex -0.980809572 -0.997032316 0.016222745 2 1: GGA PBEJsJrHEG 0 3 Ex 0.006613857 0.015147302 0.008533445 2 1: GGA PBEJsJrHEG 0 4 Ex 0.010596055 -0.034268310 0.044864365 2 1: GGA PBEGcGxLO 0 1 Ex -0.912313207 -0.891250994 0.021062213 2 1: GGA PBEGcGxLO 0 2 Ex -0.952383664 -0.973445876 0.021062213 2 1: GGA PBEGcGxLO 0 3 Ex 0.005131154 0.008384694 0.003253540 2 1: GGA PBEGcGxLO 0 4 Ex 0.008220618 -0.045142846 0.053363464 2 1: GGA PBEGcGxHEG 0 1 Ex -0.903830665 -0.888186843 0.015643822 2 1: GGA PBEGcGxHEG 0 2 Ex -0.977403848 -0.993047670 0.015643822 2 1: GGA PBEGcGxHEG 0 3 Ex 0.009421289 0.015801902 0.006380614 2 1: GGA PBEGcGxHEG 0 4 Ex 0.015093839 -0.027015824 0.042109663 2 1: GGA PBESOL 0 1 Ex -0.912313207 -0.891250994 0.021062213 2 1: GGA PBESOL 0 2 Ex -0.952383664 -0.973445876 0.021062213 2 1: GGA PBESOL 0 3 Ex 0.005131154 0.008384694 0.003253540 2 1: GGA PBESOL 0 4 Ex 0.008220618 -0.045142846 0.053363464 2 1: GGA AM05 0 1 Ex -0.607023916 -0.578900668 0.028123248 2 1: GGA AM05 0 1 Ec -0.091292665 -0.091565448 0.000272782 2 1: GGA AM05 0 2 Ex -0.930326869 -0.958450118 0.028123248 2 1: GGA AM05 0 2 Ec -0.055148478 -0.054875696 0.000272782 2 1: GGA AM05 0 3 Ex 0.041400010 0.020295833 0.021104177 2 1: GGA AM05 0 3 Ec -0.004628382 -0.004891265 0.000262883 2 1: GGA AM05 0 4 Ex 0.066326924 0.010957983 0.055368941 2 1: GGA AM05 0 4 Ec -0.007415128 -0.006586218 0.000828909 2 1: GGA PW86 0 1 Ex -0.898127597 -0.867469007 0.030658590 2 1: GGA PW86 0 2 Ex -0.992409398 -1.023067989 0.030658590 2 1: GGA PW86 0 3 Ex 0.012073096 0.011375854 0.000697241 2 1: GGA PW86 0 4 Ex 0.019342297 -0.054943381 0.074285679 2 1: GGA B88 0 1 Ex -0.693356556 -0.645629676 0.047726880 2 1: GGA B88 0 2 Ex -0.928040751 -0.975767631 0.047726880 2 1: GGA B88 0 3 Ex 0.030052086 0.005441942 0.024610144 2 1: GGA B88 0 4 Ex 0.048146423 -0.052811983 0.100958405 2 7: 2 4.400 0.002822947 -0.412572354 -0.412572354 -0.000000001 1: GGA C09 0 1 Ex -0.793672010 -0.760121060 0.033550950 2 1: GGA C09 0 2 Ex -0.923349360 -0.956900311 0.033550950 2 1: GGA C09 0 3 Ex 0.016605613 -0.000213202 0.016818815 2 1: GGA C09 0 4 Ex 0.026603839 -0.044668297 0.071272136 2 1: GGA BH 0 1 Ex -0.920129101 -0.892000298 0.028128803 2 1: GGA BH 0 2 Ex -0.904405868 -0.932534671 0.028128803 2 1: GGA BH 0 3 Ex -0.002013412 -0.004410333 0.002396921 2 1: GGA BH 0 4 Ex -0.003225686 -0.070284879 0.067059194 2 1: 1: iSpin dens gradDens 1: 1 1.614137418 -8.709950616 -4.729811918 -0.090825874 1: 2 0.964600818 -11.568021705 5.992035857 9.440513107 1: 3 -0.401403936 -10.846344534 7.753742718 10.138258179 1: 4 0.168677103 -4.297493073 4.708986066 -5.259644171 1: GGA PW91 0 1 Ex -1.628147942 -1.662414947 0.034267004 2 1: GGA PW91 0 2 Ex -2.197013380 -2.162746376 0.034267005 2 1: GGA PW91 0 3 Ex -0.351550360 -0.390500223 0.038949863 2 1: GGA PW91 0 4 Ex 0.147727740 0.121015217 0.026712523 2 1: GGA PBE 0 1 Ex -1.482436293 -1.460314107 0.022122186 2 1: GGA PBE 0 2 Ex -1.642458293 -1.664580480 0.022122186 2 1: GGA PBE 0 3 Ex -0.098891211 -0.051759965 0.047131246 2 1: GGA PBE 0 4 Ex 0.041555853 0.111121212 0.069565359 2 1: GGA RPBE 0 1 Ex -1.534935070 -1.525239756 0.009695314 2 1: GGA RPBE 0 2 Ex -1.889322792 -1.899018106 0.009695314 2 1: GGA RPBE 0 3 Ex -0.219006329 -0.189638874 0.029367455 2 1: GGA RPBE 0 4 Ex 0.092030371 0.143249427 0.051219056 2 1: GGA revPBE 0 1 Ex -1.498901246 -1.460723141 0.038178105 2 1: GGA revPBE 0 2 Ex -1.735179038 -1.773357143 0.038178104 2 1: GGA revPBE 0 3 Ex -0.146016153 -0.073503257 0.072512896 2 1: GGA revPBE 0 4 Ex 0.061358595 0.160411303 0.099052707 2 1: GGA LYP 0 1 Ex -1.371621172 -1.265911971 0.105709201 2 1: GGA LYP 0 1 Ec -0.145731075 -0.183857171 0.038126096 2 1: GGA LYP 0 2 Ex -1.177531464 -1.283240665 0.105709201 2 1: GGA LYP 0 2 Ec -0.356254755 -0.318128659 0.038126096 2 1: GGA LYP 0 3 Ex 0.119944547 0.294916727 0.174972181 2 1: GGA LYP 0 3 Ec -0.130100496 -0.185988461 0.055887965 2 7: 2 4.600 0.002254159 -0.381911080 -0.381911078 -0.000000002 1: GGA LYP 0 4 Ex -0.050402841 0.162450735 0.212853576 2 1: GGA LYP 0 4 Ec 0.054670552 -0.004919645 0.059590197 2 1: GGA WC 0 1 Ex -1.497841057 -1.476145353 0.021695704 2 1: GGA WC 0 2 Ex -1.624789093 -1.646484796 0.021695703 2 1: GGA WC 0 3 Ex -0.078451994 -0.034582031 0.043869963 2 1: GGA WC 0 4 Ex 0.032966929 0.095592496 0.062625567 2 1: GGA PBEJsJrLO 0 1 Ex -1.478568353 -1.454370379 0.024197974 2 1: GGA PBEJsJrLO 0 2 Ex 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PBESOL 0 2 Ex -1.512685681 -1.538369173 0.025683492 2 1: GGA PBESOL 0 3 Ex -0.024089330 0.023245176 0.047334506 2 1: GGA PBESOL 0 4 Ex 0.010122767 0.073314941 0.063192174 2 1: GGA AM05 0 1 Ex -1.384962417 -1.317722197 0.067240220 2 1: GGA AM05 0 1 Ec -0.077289509 -0.077702575 0.000413066 2 7: 2 4.800 0.001782061 -0.352568553 -0.352568554 0.000000001 1: GGA AM05 0 2 Ex -1.062355024 -1.129595243 0.067240219 2 1: GGA AM05 0 2 Ec -0.092102255 -0.091689189 0.000413066 2 1: GGA AM05 0 3 Ex 0.199366560 0.304324651 0.104958091 2 1: GGA AM05 0 3 Ec -0.009154056 -0.010434344 0.001280288 2 1: GGA AM05 0 4 Ex -0.083777389 0.036529984 0.120307373 2 1: GGA AM05 0 4 Ec 0.003846698 0.001595286 0.002251412 2 1: GGA PW86 0 1 Ex -1.387208105 -1.333823449 0.053384655 2 1: GGA PW86 0 2 Ex -1.440871405 -1.494256061 0.053384656 2 1: GGA PW86 0 3 Ex -0.033163120 0.066835760 0.099998879 2 1: GGA PW86 0 4 Ex 0.013935735 0.149118872 0.135183137 2 1: GGA B88 0 1 Ex -1.369956269 -1.264296662 0.105659607 2 1: GGA 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-0.031657254 0.003045046 0.034702301 2 1: GGA PBEGcGxHEG 0 1 Ex -1.298780601 -1.317381735 0.018601134 2 1: GGA PBEGcGxHEG 0 2 Ex -1.123086837 -1.104485702 0.018601134 2 1: GGA PBEGcGxHEG 0 3 Ex 0.008803776 0.040103483 0.031299706 2 1: GGA PBEGcGxHEG 0 4 Ex -0.049261764 -0.010497272 0.038764492 2 1: GGA PBESOL 0 1 Ex -1.301147192 -1.318411907 0.017264715 2 1: GGA PBESOL 0 2 Ex -1.188240511 -1.170975796 0.017264715 2 1: GGA PBESOL 0 3 Ex 0.005657601 0.027562425 0.021904824 2 1: GGA PBESOL 0 4 Ex -0.031657254 0.003045046 0.034702301 2 1: GGA AM05 0 1 Ex -1.296006792 -1.279763692 0.016243100 2 1: GGA AM05 0 1 Ec -0.063967371 -0.061986050 0.001981321 2 1: GGA AM05 0 2 Ex -0.749566107 -0.765809206 0.016243099 2 1: GGA AM05 0 2 Ec -0.113551044 -0.115532366 0.001981321 2 1: GGA AM05 0 3 Ex 0.027381402 -0.072126223 0.099507626 2 1: GGA AM05 0 3 Ec -0.002484571 -0.006561227 0.004076656 2 1: GGA AM05 0 4 Ex -0.153213359 -0.199962570 0.046749211 2 1: GGA AM05 0 4 Ec 0.013902481 0.009640700 0.004261781 2 7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000000 1: GGA PW86 0 1 Ex -1.225050099 -1.262662735 0.037612635 2 1: GGA PW86 0 2 Ex -1.101388655 -1.063776019 0.037612636 2 1: GGA PW86 0 3 Ex 0.006196507 0.044181131 0.037984624 2 1: GGA PW86 0 4 Ex -0.034672721 0.039189046 0.073861767 2 1: GGA B88 0 1 Ex -1.258493678 -1.264295543 0.005801865 2 1: GGA B88 0 2 Ex -0.866515096 -0.860713231 0.005801865 2 1: GGA B88 0 3 Ex 0.019641516 -0.065844093 0.085485609 2 1: GGA B88 0 4 Ex -0.109904619 -0.114835836 0.004931217 2 1: GGA C09 0 1 Ex -1.323488421 -1.333308496 0.009820075 2 1: GGA C09 0 2 Ex -1.407736665 -1.397916590 0.009820075 2 1: GGA C09 0 3 Ex -0.004221565 -0.006838552 0.002616987 2 1: GGA C09 0 4 Ex 0.023621880 0.040666004 0.017044123 2 1: GGA BH 0 1 Ex -1.302794786 -1.308454734 0.005659948 2 1: GGA BH 0 2 Ex -1.136778322 -1.131118374 0.005659948 2 1: GGA BH 0 3 Ex 0.008318860 -0.018190216 0.026509076 2 1: GGA BH 0 4 Ex -0.046548401 -0.041192751 0.005355650 2 1: 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0.023460506 2 1: GGA BH 0 4 Ex 0.047032528 0.012852176 0.034180352 2 1: 1: iSpin dens gradDens 1: 1 0.010918359 0.042403291 -0.106325154 0.082082240 1: 2 0.015031426 0.118139531 -0.088867854 -0.020032716 1: 3 -0.009614149 0.007397618 0.040496633 0.087881223 1: 4 0.002121513 0.087418948 -0.064254698 -0.045067765 1: GGA PW91 0 1 Ex -0.238624798 -0.238385989 0.000238809 2 1: GGA PW91 0 2 Ex -0.352096075 -0.352334884 0.000238809 2 1: GGA PW91 0 3 Ex 0.265235063 0.264560547 0.000674516 2 7: 2 7.400 0.000033779 -0.163293898 -0.163293894 -0.000000004 1: GGA PW91 0 4 Ex -0.058528276 -0.061353515 0.002825239 2 1: GGA PBE 0 1 Ex -0.385589555 -0.379751216 0.005838339 2 1: GGA PBE 0 2 Ex -0.419760720 -0.425599059 0.005838339 2 1: GGA PBE 0 3 Ex 0.079873880 0.070174912 0.009698968 2 1: GGA PBE 0 4 Ex -0.017625424 -0.055919130 0.038293705 2 1: GGA RPBE 0 1 Ex -0.425514165 -0.422651532 0.002862633 2 1: GGA RPBE 0 2 Ex -0.479857791 -0.482720425 0.002862633 2 1: GGA RPBE 0 3 Ex 0.127026289 0.122265602 0.004760687 2 1: GGA RPBE 0 4 Ex -0.028030343 -0.046829596 0.018799254 2 1: GGA revPBE 0 1 Ex -0.432811072 -0.421493400 0.011317672 2 1: GGA revPBE 0 2 Ex -0.451558873 -0.462876545 0.011317672 2 1: GGA revPBE 0 3 Ex 0.043822317 0.025025536 0.018796781 2 1: GGA revPBE 0 4 Ex -0.009670081 -0.083881220 0.074211138 2 1: GGA LYP 0 1 Ex -0.379490460 -0.336926088 0.042564372 2 1: GGA LYP 0 1 Ec -1.206484499 -1.185179742 0.021304757 2 1: GGA LYP 0 2 Ex -0.362983973 -0.405548346 0.042564372 2 1: GGA LYP 0 2 Ec -0.942454060 -0.963758816 0.021304756 2 1: GGA LYP 0 3 Ex -0.038583325 -0.074220590 0.035637265 2 1: GGA LYP 0 3 Ec -0.617161737 -0.751918002 0.134756265 2 1: GGA LYP 0 4 Ex 0.008514016 -0.111724198 0.120238213 2 1: GGA LYP 0 4 Ec 0.136186415 -0.453842026 0.590028441 2 1: GGA WC 0 1 Ex -0.375545647 -0.368580576 0.006965071 2 1: GGA WC 0 2 Ex -0.404791060 -0.411756131 0.006965071 2 1: GGA WC 0 3 Ex 0.068360110 0.056794226 0.011565883 2 1: GGA WC 0 4 Ex -0.015084730 -0.060746592 0.045661862 2 1: GGA PBEJsJrLO 0 1 Ex -0.369886919 -0.362787051 0.007099868 2 1: GGA PBEJsJrLO 0 2 Ex -0.396143564 -0.403243432 0.007099868 2 1: GGA PBEJsJrLO 0 3 Ex 0.061373972 0.049581710 0.011792262 2 1: GGA PBEJsJrLO 0 4 Ex -0.013543129 -0.060100211 0.046557082 2 1: GGA PBEJsJrHEG 0 1 Ex -0.342316475 -0.338317804 0.003998671 2 1: GGA PBEJsJrHEG 0 2 Ex -0.377095997 -0.381094669 0.003998671 2 1: GGA PBEJsJrHEG 0 3 Ex 0.081295893 0.074653069 0.006642824 2 7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 1: GGA PBEJsJrHEG 0 4 Ex -0.017939214 -0.044166583 0.026227369 2 1: GGA PBEGcGxLO 0 1 Ex -0.361061406 -0.353335090 0.007726315 2 1: GGA PBEGcGxLO 0 2 Ex -0.382895485 -0.390621801 0.007726315 2 1: GGA PBEGcGxLO 0 3 Ex 0.051036382 0.038205710 0.012830673 2 1: GGA PBEGcGxLO 0 4 Ex -0.011261978 -0.061917610 0.050655632 2 1: GGA PBEGcGxHEG 0 1 Ex -0.336509554 -0.332029939 0.004479615 2 1: GGA PBEGcGxHEG 0 2 Ex -0.368358010 -0.372837625 0.004479615 2 1: GGA PBEGcGxHEG 0 3 Ex 0.074444630 0.067003583 0.007441047 2 1: GGA PBEGcGxHEG 0 4 Ex -0.016427375 -0.045805873 0.029378498 2 1: GGA PBESOL 0 1 Ex -0.361061406 -0.353335090 0.007726315 2 1: GGA PBESOL 0 2 Ex -0.382895485 -0.390621801 0.007726315 2 1: GGA PBESOL 0 3 Ex 0.051036382 0.038205710 0.012830673 2 1: GGA PBESOL 0 4 Ex -0.011261978 -0.061917610 0.050655632 2 1: GGA AM05 0 1 Ex -0.323937280 -0.296386107 0.027551174 2 1: GGA AM05 0 1 Ec -0.056759461 -0.056785079 0.000025618 2 1: GGA AM05 0 2 Ex -0.312390189 -0.339941363 0.027551173 2 1: GGA AM05 0 2 Ec -0.046347109 -0.046321490 0.000025618 2 1: GGA AM05 0 3 Ex -0.026990913 -0.050853068 0.023862155 2 1: GGA AM05 0 3 Ec -0.024338503 -0.024295959 0.000042544 2 1: GGA AM05 0 4 Ex 0.005955968 -0.075473848 0.081429816 2 1: GGA AM05 0 4 Ec 0.005370672 0.005538636 0.000167963 2 1: GGA PW86 0 1 Ex -0.444620085 -0.429775696 0.014844389 2 1: GGA PW86 0 2 Ex -0.440419732 -0.455264121 0.014844389 2 1: GGA PW86 0 3 Ex -0.009818174 -0.027675421 0.017857248 2 1: GGA PW86 0 4 Ex 0.002166534 -0.064368184 0.066534718 2 1: GGA B88 0 1 Ex -0.379470790 -0.336907623 0.042563167 2 1: GGA B88 0 2 Ex -0.362961554 -0.405524721 0.042563167 2 1: GGA B88 0 3 Ex -0.038589750 -0.074225401 0.035635652 2 1: GGA B88 0 4 Ex 0.008515433 -0.111716639 0.120232072 2 1: GGA C09 0 1 Ex -0.368897251 -0.349228118 0.019669132 2 4/9 Test #5: libgridxc_test6 .................. Passed 0.18 sec 1: GGA C09 0 2 Ex -0.353951265 -0.373620397 0.019669132 2 1: GGA C09 0 3 Ex -0.034935708 -0.067646358 0.032710650 2 1: GGA C09 0 4 Ex 0.007709112 -0.121460427 0.129169538 2 1: GGA BH 0 1 Ex -0.446220470 -0.431579980 0.014640490 2 1: GGA BH 0 2 Ex -0.445015113 -0.459655603 0.014640490 2 7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 1: GGA BH 0 3 Ex -0.002817479 -0.020454683 0.017637203 2 1: GGA BH 0 4 Ex 0.000621721 -0.065113467 0.065735188 2 1: 1: iSpin dens gradDens 1: 1 0.000000057 -0.000000234 -0.000000308 0.000000202 1: 2 0.000000076 0.000000587 0.000000055 -0.000000647 1: 3 -0.000000026 -0.000000103 0.000000449 -0.000000414 1: 4 0.000000011 -0.000000030 -0.000000028 -0.000000445 1: GGA PW91 0 1 Ex -0.000016406 -0.000019003 0.000002597 2 1: GGA PW91 0 2 Ex -0.000026152 -0.000023555 0.000002597 2 1: GGA PW91 0 4 Ex -0.000005721 -0.000008891 0.000003170 2 1: GGA LYP 0 1 Ex 0.000000000 -0.004644942 0.004644942 2 1: GGA LYP 0 2 Ex 0.000000000 -0.005153797 0.005153797 2 1: GGA LYP 0 3 Ex -0.000000000 0.000686049 0.000686049 2 1: GGA LYP 0 4 Ex 0.000000000 -0.000298676 0.000298676 2 7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 1: GGA AM05 0 1 Ex -0.026012598 -0.084682374 0.058669776 2 1: GGA AM05 0 2 Ex -0.024922263 0.033747513 0.058669776 2 1: GGA AM05 0 3 Ex -0.001470016 0.052117163 0.053587178 2 1: GGA AM05 0 4 Ex 0.000639981 0.073750082 0.073110100 2 1: GGA PW86 0 1 Ex -0.024028422 -0.030561177 0.006532755 2 1: GGA PW86 0 2 Ex -0.024329302 -0.017796547 0.006532755 2 1: GGA PW86 0 3 Ex 0.000405653 0.006964239 0.006558586 2 1: GGA PW86 0 4 Ex -0.000176604 0.009323321 0.009499925 2 1: GGA B88 0 1 Ex -0.030744392 -0.136040556 0.105296164 2 1: GGA B88 0 2 Ex -0.029333988 0.075962176 0.105296164 2 1: GGA B88 0 3 Ex -0.001901538 0.093564608 0.095466147 2 1: GGA B88 0 4 Ex 0.000827848 0.130413843 0.129585996 2 1: GGA BH 0 1 Ex -0.023706678 -0.030151259 0.006444582 2 1: GGA BH 0 2 Ex -0.024005365 -0.017560783 0.006444582 2 1: GGA BH 0 3 Ex 0.000402697 0.006872227 0.006469530 2 1: GGA BH 0 4 Ex -0.000175317 0.009195160 0.009370477 2 1: 1: iSpin dens gradDens 1: 1 1.626166041 -9.590457555 8.676779044 13.135463872 1: 2 1.762271847 0.526982802 -3.635040962 0.783735410 1: 3 -0.060296424 10.286073211 -4.601064285 -14.352881990 1: 4 -0.000744996 4.501228272 -9.092647766 1.078904620 1: GGA PW91 0 1 Ex -1.414974171 -2.417724419 1.002750248 2 7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 1: GGA PW91 0 2 Ex -1.393897505 -0.391147258 1.002750248 2 1: GGA PW91 0 3 Ex -0.009337203 1.128395664 1.137732867 2 1: GGA PW91 0 4 Ex -0.000115366 -0.484893748 0.484778382 2 1: GGA PBE 0 1 Ex -1.413757551 -2.595950573 1.182193022 2 1: GGA PBE 0 2 Ex -1.377608631 -0.195415609 1.182193022 2 1: GGA PBE 0 3 Ex -0.016014384 1.323107107 1.339121491 2 1: GGA PBE 0 4 Ex -0.000197867 -0.392911295 0.392713429 2 1: GGA RPBE 0 1 Ex -1.407616393 -2.929903322 1.522286929 2 1: GGA RPBE 0 2 Ex -1.342817812 0.179469117 1.522286929 2 1: GGA RPBE 0 3 Ex -0.028706510 1.693750257 1.722456767 2 1: GGA RPBE 0 4 Ex -0.000354685 -0.351952735 0.351598050 2 1: GGA revPBE 0 1 Ex -1.409325024 -2.837408822 1.428083798 2 1: GGA revPBE 0 2 Ex -1.352399804 0.075683994 1.428083798 2 1: GGA revPBE 0 3 Ex -0.025218522 1.591054777 1.616273299 2 1: GGA revPBE 0 4 Ex -0.000311589 -0.363067714 0.362756125 2 1: GGA LYP 0 1 Ex -1.415638676 -2.473950150 1.058311474 2 1: GGA LYP 0 1 Ec -0.051204028 -0.057720093 0.006516066 2 1: GGA LYP 0 2 Ex -1.389955680 -0.331644205 1.058311474 2 1: GGA LYP 0 2 Ec -0.072889287 -0.066373221 0.006516066 2 1: GGA LYP 0 3 Ex -0.011377860 1.188978129 1.200355989 2 1: GGA LYP 0 3 Ec 0.009606817 0.016720972 0.007114155 2 1: GGA LYP 0 4 Ex -0.000140580 -0.478002951 0.477862371 2 1: GGA LYP 0 4 Ec 0.000118698 0.019553751 0.019435053 2 1: GGA WC 0 1 Ex -1.424054328 -2.085353045 0.661298718 2 1: GGA WC 0 2 Ex -1.428365536 -0.767066818 0.661298718 2 1: GGA WC 0 3 Ex 0.001909914 0.753672605 0.751762691 2 1: GGA WC 0 4 Ex 0.000023598 -0.436628824 0.436652422 2 1: GGA PBEJsJrLO 0 1 Ex -1.424586462 -2.386471487 0.961885024 2 1: GGA PBEJsJrLO 0 2 Ex -1.399535624 -0.437650600 0.961885024 2 1: GGA PBEJsJrLO 0 3 Ex -0.011097807 1.077648132 1.088745939 2 1: GGA PBEJsJrLO 0 4 Ex -0.000137120 -0.253049025 0.252911905 2 7: 2 8.400 0.000004681 -0.075347142 -0.075346959 -0.000000183 1: GGA PBEJsJrHEG 0 1 Ex -1.427270028 -2.240476628 0.813206600 2 1: GGA PBEJsJrHEG 0 2 Ex -1.414765573 -0.601558973 0.813206600 2 1: GGA PBEJsJrHEG 0 3 Ex -0.005539616 0.915624868 0.921164484 2 1: GGA PBEJsJrHEG 0 4 Ex -0.000068445 -0.271015060 0.270946614 2 1: GGA PBEGcGxLO 0 1 Ex -1.429604320 -2.269296463 0.839692143 2 1: GGA PBEGcGxLO 0 2 Ex -1.411750504 -0.572058362 0.839692142 2 1: GGA PBEGcGxLO 0 3 Ex -0.007909444 0.942263669 0.950173113 2 1: GGA PBEGcGxLO 0 4 Ex -0.000097726 -0.199498831 0.199401106 2 1: GGA PBEGcGxHEG 0 1 Ex -1.431528432 -2.163776137 0.732247704 2 1: GGA PBEGcGxHEG 0 2 Ex -1.422813067 -0.690565363 0.732247704 2 1: GGA PBEGcGxHEG 0 3 Ex -0.003861006 0.825211491 0.829072497 2 1: GGA PBEGcGxHEG 0 4 Ex -0.000047705 -0.212833263 0.212785559 2 1: GGA PBESOL 0 1 Ex -1.429604320 -2.269296463 0.839692143 2 1: GGA PBESOL 0 2 Ex -1.411750504 -0.572058362 0.839692142 2 1: GGA PBESOL 0 3 Ex -0.007909444 0.942263669 0.950173113 2 1: GGA PBESOL 0 4 Ex -0.000097726 -0.199498831 0.199401106 2 1: GGA AM05 0 1 Ex -1.448290787 -2.053094344 0.604803557 2 1: GGA AM05 0 1 Ec -0.094612854 -0.143635958 0.049023104 2 1: GGA AM05 0 2 Ex -1.437983399 -0.833179842 0.604803557 2 1: GGA AM05 0 2 Ec -0.087158374 -0.038135271 0.049023104 2 1: GGA AM05 0 3 Ex -0.004566290 0.677075147 0.681641437 2 1: GGA AM05 0 3 Ec -0.003302420 0.051080758 0.054383178 2 1: GGA AM05 0 4 Ex -0.000056419 0.077926236 0.077982655 2 1: GGA AM05 0 4 Ec -0.000040803 0.076541291 0.076582094 2 1: GGA PW86 0 1 Ex -1.400173415 -2.929070762 1.528897346 2 1: GGA PW86 0 2 Ex -1.356362931 0.172534416 1.528897346 2 1: GGA PW86 0 3 Ex -0.019408544 1.710831435 1.730239979 2 1: GGA PW86 0 4 Ex -0.000239803 -0.377933472 0.377693669 2 1: GGA B88 0 1 Ex -1.414017620 -2.471437342 1.057419722 2 1: GGA B88 0 2 Ex -1.388201580 -0.330781859 1.057419721 2 7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000078 1: GGA B88 0 3 Ex -0.011436800 1.187908763 1.199345563 2 1: GGA B88 0 4 Ex -0.000141308 -0.477683038 0.477541730 2 1: GGA C09 0 1 Ex -1.433843384 -2.218623433 0.784780048 2 1: GGA C09 0 2 Ex -1.416812402 -0.632032354 0.784780048 2 1: GGA C09 0 3 Ex -0.007544919 0.879759455 0.887304375 2 1: GGA C09 0 4 Ex -0.000093222 -0.127235125 0.127141903 2 1: GGA BH 0 1 Ex -1.432304709 -2.288804638 0.856499928 2 1: GGA BH 0 2 Ex -1.409277588 -0.552777660 0.856499928 2 1: GGA BH 0 3 Ex -0.010201277 0.958011086 0.968212363 2 1: GGA BH 0 4 Ex -0.000126043 -0.124202778 0.124076735 2 1: 1: iSpin dens gradDens 1: 1 0.727827245 3.396303277 -2.158940309 -1.684238717 1: 2 0.209427921 0.578911056 -3.461218445 1.333480646 1: 3 0.202075638 0.886643773 1.769824965 0.922996178 1: 4 0.120349474 2.043317898 0.124398799 -3.518822833 1: GGA PW91 0 1 Ex -1.087860394 -1.094979828 0.007119433 2 1: GGA PW91 0 2 Ex -1.162137961 -1.155018527 0.007119434 2 1: GGA PW91 0 3 Ex 0.028953909 0.089730216 0.060776307 2 1: GGA PW91 0 4 Ex 0.017243977 -0.069470621 0.086714598 2 1: GGA PBE 0 1 Ex -1.059632495 -1.058021419 0.001611077 2 1: GGA PBE 0 2 Ex -1.052365934 -1.053977010 0.001611076 2 1: GGA PBE 0 3 Ex -0.002832556 0.057705292 0.060537848 2 1: GGA PBE 0 4 Ex -0.001686975 -0.106804301 0.105117325 2 1: GGA RPBE 0 1 Ex -1.041586947 -1.040134120 0.001452827 2 1: GGA RPBE 0 2 Ex -1.090897005 -1.092349831 0.001452826 2 1: GGA RPBE 0 3 Ex 0.019221401 0.089746523 0.070525121 2 1: GGA RPBE 0 4 Ex 0.011447622 -0.110098244 0.121545866 2 1: GGA revPBE 0 1 Ex -1.068573678 -1.066341103 0.002232575 2 1: GGA revPBE 0 2 Ex -1.227756740 -1.229989315 0.002232575 2 1: GGA revPBE 0 3 Ex 0.062050657 0.129582965 0.067532307 2 1: GGA revPBE 0 4 Ex 0.036955291 -0.081244782 0.118200073 2 1: GGA LYP 0 1 Ex -1.029645602 -1.012261110 0.017384492 2 1: GGA LYP 0 1 Ec -0.131678444 -0.138906737 0.007228293 2 1: GGA LYP 0 2 Ex -0.792567544 -0.809952036 0.017384492 2 7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA LYP 0 2 Ec -0.417171447 -0.409943153 0.007228294 2 1: GGA LYP 0 3 Ex -0.092414665 -0.036853390 0.055561275 2 1: GGA LYP 0 3 Ec 0.111287145 0.152312916 0.041025771 2 1: GGA LYP 0 4 Ex -0.055039076 -0.185771965 0.130732889 2 1: GGA LYP 0 4 Ec 0.066278892 0.012961355 0.053317537 2 1: GGA WC 0 1 Ex -1.095359894 -1.094049672 0.001310222 2 1: GGA WC 0 2 Ex -1.050458335 -1.051768556 0.001310222 2 1: GGA WC 0 3 Ex -0.017502938 0.026533055 0.044035993 2 1: GGA WC 0 4 Ex -0.010424163 -0.087185698 0.076761535 2 1: GGA PBEJsJrLO 0 1 Ex -1.073255651 -1.071797288 0.001458363 2 1: GGA PBEJsJrLO 0 2 Ex -1.037299837 -1.038758199 0.001458362 2 1: GGA PBEJsJrLO 0 3 Ex -0.014015825 0.031909075 0.045924900 2 1: GGA PBEJsJrLO 0 4 Ex -0.008347355 -0.088599559 0.080252204 2 1: GGA PBEJsJrHEG 0 1 Ex -1.068559729 -1.067452115 0.001107614 2 1: GGA PBEJsJrHEG 0 2 Ex -0.936026564 -0.937134177 0.001107613 2 1: GGA PBEJsJrHEG 0 3 Ex -0.051662343 -0.009979718 0.041682625 2 1: GGA PBEJsJrHEG 0 4 Ex -0.030768359 -0.103142055 0.072373695 2 1: GGA PBEGcGxLO 0 1 Ex -1.080369303 -1.078951610 0.001417692 2 1: GGA PBEGcGxLO 0 2 Ex -1.026459621 -1.027877313 0.001417692 2 1: GGA PBEGcGxLO 0 3 Ex -0.021014366 0.017973109 0.038987475 2 1: GGA PBEGcGxLO 0 4 Ex -0.012515452 -0.081031616 0.068516164 2 1: GGA PBEGcGxHEG 0 1 Ex -1.073640617 -1.072598779 0.001041838 2 1: GGA PBEGcGxHEG 0 2 Ex -0.930848256 -0.931890094 0.001041838 2 1: GGA PBEGcGxHEG 0 3 Ex -0.055661449 -0.019678512 0.035982937 2 1: GGA PBEGcGxHEG 0 4 Ex -0.033150093 -0.095811929 0.062661836 2 1: GGA PBESOL 0 1 Ex -1.080369303 -1.078951610 0.001417692 2 1: GGA PBESOL 0 2 Ex -1.026459621 -1.027877313 0.001417692 2 1: GGA PBESOL 0 3 Ex -0.021014366 0.017973109 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0.075697785 0.176776308 0.101078522 2 1: GGA LYP 0 4 Ec -0.040595373 -0.027955759 0.012639614 2 1: GGA WC 0 1 Ex -1.467264257 -1.494565872 0.027301615 2 1: GGA WC 0 2 Ex -1.541574866 -1.514273252 0.027301615 2 1: GGA WC 0 3 Ex 0.031774824 0.044960487 0.013185663 2 1: GGA WC 0 4 Ex 0.014081844 0.056365206 0.042283362 2 1: GGA PBEJsJrLO 0 1 Ex -1.414487149 -1.442935044 0.028447896 2 1: GGA PBEJsJrLO 0 2 Ex -1.501123045 -1.472675149 0.028447896 2 1: GGA PBEJsJrLO 0 3 Ex 0.037045052 0.049935268 0.012890216 2 1: GGA PBEJsJrLO 0 4 Ex 0.016417483 0.062391996 0.045974513 2 1: GGA PBEJsJrHEG 0 1 Ex -1.325741596 -1.352443644 0.026702048 2 1: GGA PBEJsJrHEG 0 2 Ex -1.503833173 -1.477131125 0.026702047 2 1: GGA PBEJsJrHEG 0 3 Ex 0.076151018 0.089999889 0.013848871 2 1: GGA PBEJsJrHEG 0 4 Ex 0.033748314 0.072953213 0.039204899 2 1: GGA PBEGcGxLO 0 1 Ex -1.379156727 -1.402541760 0.023385033 2 7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA PBEGcGxLO 0 2 Ex -1.507987496 -1.484602462 0.023385034 2 1: GGA PBEGcGxLO 0 3 Ex 0.055087357 0.064303392 0.009216036 2 1: GGA PBEGcGxLO 0 4 Ex 0.024413402 0.065319987 0.040906585 2 1: GGA PBEGcGxHEG 0 1 Ex -1.306609617 -1.329322234 0.022712617 2 1: GGA PBEGcGxHEG 0 2 Ex -1.508723202 -1.486010585 0.022712618 2 1: GGA PBEGcGxHEG 0 3 Ex 0.086422702 0.097519625 0.011096923 2 1: GGA PBEGcGxHEG 0 4 Ex 0.038300479 0.073188770 0.034888290 2 1: GGA PBESOL 0 1 Ex -1.379156727 -1.402541760 0.023385033 2 1: GGA PBESOL 0 2 Ex -1.507987496 -1.484602462 0.023385034 2 1: GGA PBESOL 0 3 Ex 0.055087357 0.064303392 0.009216036 2 1: GGA PBESOL 0 4 Ex 0.024413402 0.065319987 0.040906585 2 1: GGA AM05 0 1 Ex -0.911855241 -0.907535552 0.004319689 2 1: GGA AM05 0 1 Ec -0.120706809 -0.119879570 0.000827239 2 1: GGA AM05 0 2 Ex -1.460205950 -1.464525638 0.004319689 2 1: GGA AM05 0 2 Ec -0.067839036 -0.068666276 0.000827239 2 1: GGA AM05 0 3 Ex 0.234471868 0.207634937 0.026836930 2 1: GGA AM05 0 3 Ec -0.022605980 -0.023091722 0.000485741 2 1: GGA AM05 0 4 Ex 0.103912337 0.153070630 0.049158293 2 1: GGA AM05 0 4 Ec -0.010018431 -0.011105077 0.001086646 2 1: GGA PW86 0 1 Ex -1.279573358 -1.317981526 0.038408168 2 1: GGA PW86 0 2 Ex -1.440062467 -1.401654298 0.038408168 2 1: GGA PW86 0 3 Ex 0.068624295 0.077000233 0.008375938 2 1: GGA PW86 0 4 Ex 0.030412650 0.112853789 0.082441139 2 1: GGA B88 0 1 Ex -1.033074490 -1.048563331 0.015488841 2 1: GGA B88 0 2 Ex -1.431315323 -1.415826482 0.015488841 2 1: GGA B88 0 3 Ex 0.170285677 0.143629521 0.026656156 2 1: GGA B88 0 4 Ex 0.075466549 0.176482246 0.101015697 2 1: GGA C09 0 1 Ex -1.648162824 -1.666503190 0.018340365 2 1: GGA C09 0 2 Ex -1.554286939 -1.535946574 0.018340365 2 1: GGA C09 0 3 Ex -0.040140833 -0.036169445 0.003971388 2 1: GGA C09 0 4 Ex -0.017789459 0.021640866 0.039430326 2 1: GGA BH 0 1 Ex -1.318698608 -1.333891804 0.015193196 2 1: GGA BH 0 2 Ex -1.494723616 -1.479530421 0.015193195 2 1: GGA BH 0 3 Ex 0.075267364 0.070400866 0.004866498 2 1: GGA BH 0 4 Ex 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Ex 0.022687750 0.051291153 0.028603403 2 1: GGA revPBE 0 1 Ex -1.254010333 -1.164882833 0.089127500 2 1: GGA revPBE 0 2 Ex -1.312495408 -1.401622909 0.089127500 2 1: GGA revPBE 0 3 Ex -0.046073074 -0.004202696 0.041870378 2 1: GGA revPBE 0 4 Ex -0.025231793 0.001608044 0.026839837 2 1: GGA LYP 0 1 Ex -1.239703978 -1.138067625 0.101636353 2 1: GGA LYP 0 1 Ec -0.081692678 -0.023619583 0.058073095 2 1: GGA LYP 0 2 Ex -1.146717500 -1.248353853 0.101636354 2 1: GGA LYP 0 2 Ec -0.219852075 -0.277925170 0.058073095 2 1: GGA LYP 0 3 Ex 0.073252414 0.142839337 0.069586923 2 1: GGA LYP 0 3 Ec -0.108838505 -0.095614411 0.013224094 2 1: GGA LYP 0 4 Ex 0.040116485 0.030843321 0.009273164 2 1: GGA LYP 0 4 Ec -0.059605110 -0.016448050 0.043157060 2 1: GGA WC 0 1 Ex -1.282110611 -1.229231086 0.052879525 2 1: GGA WC 0 2 Ex -1.151113267 -1.203992793 0.052879526 2 1: GGA WC 0 3 Ex 0.103196419 0.128041486 0.024845067 2 1: GGA WC 0 4 Ex 0.056515238 0.072433365 0.015918128 2 1: GGA PBEJsJrLO 0 1 Ex -1.243076521 -1.183325209 0.059751312 2 1: GGA PBEJsJrLO 0 2 Ex -1.138131606 -1.197882918 0.059751312 2 1: GGA PBEJsJrLO 0 3 Ex 0.082672970 0.110738257 0.028065288 2 1: GGA PBEJsJrLO 0 4 Ex 0.045275626 0.063277752 0.018002125 2 1: GGA PBEJsJrHEG 0 1 Ex -1.239109858 -1.189726222 0.049383635 2 1: GGA PBEJsJrHEG 0 2 Ex -1.040283526 -1.089667161 0.049383635 2 1: GGA PBEJsJrHEG 0 3 Ex 0.156630393 0.179810406 0.023180013 2 1: GGA PBEJsJrHEG 0 4 Ex 0.085778208 0.100685129 0.014906921 2 1: GGA PBEGcGxLO 0 1 Ex -1.247926528 -1.194989252 0.052937276 2 1: GGA PBEGcGxLO 0 2 Ex -1.138365770 -1.191303047 0.052937276 2 1: GGA PBEGcGxLO 0 3 Ex 0.086309214 0.111188749 0.024879535 2 1: GGA PBEGcGxLO 0 4 Ex 0.047267006 0.063189126 0.015922120 2 1: GGA PBEGcGxHEG 0 1 Ex -1.237011839 -1.192051863 0.044959975 2 1: GGA PBEGcGxHEG 0 2 Ex -1.038873610 -1.083833585 0.044959975 2 1: GGA PBEGcGxHEG 0 3 Ex 0.156088322 0.177198454 0.021110132 2 1: GGA PBEGcGxHEG 0 4 Ex 0.085481344 0.099041026 0.013559682 2 1: GGA PBESOL 0 1 Ex -1.247926528 -1.194989252 0.052937276 2 1: GGA PBESOL 0 2 Ex -1.138365770 -1.191303047 0.052937276 2 1: GGA PBESOL 0 3 Ex 0.086309214 0.111188749 0.024879535 2 1: GGA PBESOL 0 4 Ex 0.047267006 0.063189126 0.015922120 2 1: GGA AM05 0 1 Ex -1.199649924 -1.147882587 0.051767337 2 1: GGA AM05 0 1 Ec -0.075215674 -0.075844953 0.000629279 2 1: GGA AM05 0 2 Ex -1.011079679 -1.062847017 0.051767338 2 1: GGA AM05 0 2 Ec -0.131705611 -0.131076332 0.000629279 2 1: GGA AM05 0 3 Ex 0.148550905 0.186925007 0.038374102 2 1: GGA AM05 0 3 Ec -0.044501354 -0.044796546 0.000295192 2 1: GGA AM05 0 4 Ex 0.081353498 0.071278727 0.010074771 2 1: GGA AM05 0 4 Ec -0.024371045 -0.024561334 0.000190289 2 1: GGA PW86 0 1 Ex -1.336454012 -1.260022326 0.076431686 2 1: GGA PW86 0 2 Ex -1.289757092 -1.366188778 0.076431686 2 1: GGA PW86 0 3 Ex 0.036786661 0.078024159 0.041237497 2 7: 2 10.600 0.000000025 -0.023159554 -0.023161337 0.000001783 1: GGA PW86 0 4 Ex 0.020146115 0.033427700 0.013281585 2 1: 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PW91 0 2 Ex -1.342253601 -1.169326252 0.172927349 2 1: GGA PW91 0 3 Ex -0.105915456 -0.046093164 0.059822292 2 1: GGA PW91 0 4 Ex 0.003218416 0.014806257 0.011587842 2 1: GGA PBE 0 1 Ex -1.407873933 -1.577921660 0.170047727 2 1: GGA PBE 0 2 Ex -1.349755074 -1.179707346 0.170047728 2 1: GGA PBE 0 3 Ex -0.084498994 -0.025682443 0.058816551 2 1: GGA PBE 0 4 Ex 0.002567641 0.013647617 0.011079976 2 1: GGA RPBE 0 1 Ex -1.388047224 -1.598046910 0.209999686 2 1: GGA RPBE 0 2 Ex -1.375746430 -1.165746744 0.209999686 2 1: GGA RPBE 0 3 Ex -0.017884121 0.054752610 0.072636731 2 1: GGA RPBE 0 4 Ex 0.000543438 0.014275768 0.013732329 2 1: GGA revPBE 0 1 Ex -1.340305521 -1.571205362 0.230899840 2 1: GGA revPBE 0 2 Ex -1.264943313 -1.034043472 0.230899841 2 1: GGA revPBE 0 3 Ex -0.109569096 -0.029672888 0.079896207 2 1: GGA revPBE 0 4 Ex 0.003329437 0.019426508 0.016097070 2 1: GGA LYP 0 1 Ex -1.314131489 -1.552022103 0.237890614 2 1: GGA LYP 0 1 Ec -0.011862865 -0.025315242 0.013452377 2 1: GGA LYP 0 2 Ex -1.154053153 -0.916162539 0.237890614 2 1: GGA LYP 0 2 Ec 0.001347010 0.014799386 0.013452377 2 1: GGA LYP 0 3 Ex -0.232737851 -0.150389262 0.082348590 2 1: GGA LYP 0 3 Ec -0.019205833 -0.014593696 0.004612137 2 1: GGA LYP 0 4 Ex 0.007072123 0.024756624 0.017684501 2 1: GGA LYP 0 4 Ec 0.000583601 0.000117219 0.000466382 2 1: GGA WC 0 1 Ex -1.402549492 -1.557107816 0.154558325 2 1: GGA WC 0 2 Ex -1.268321942 -1.113763618 0.154558324 2 1: GGA WC 0 3 Ex -0.195153400 -0.141660541 0.053492859 2 1: GGA WC 0 4 Ex 0.005930058 0.017113896 0.011183838 2 1: GGA PBEJsJrLO 0 1 Ex -1.382728793 -1.535142680 0.152413887 2 1: GGA PBEJsJrLO 0 2 Ex -1.281214032 -1.128800145 0.152413887 2 1: GGA PBEJsJrLO 0 3 Ex -0.147592285 -0.094856968 0.052735317 2 1: GGA PBEJsJrLO 0 4 Ex 0.004484835 0.015008364 0.010523530 2 7: 2 10.800 0.000000015 -0.021608555 -0.021610221 0.000001667 1: GGA PBEJsJrHEG 0 1 Ex -1.421728752 -1.538602647 0.116873896 2 1: GGA PBEJsJrHEG 0 2 Ex -1.329011443 -1.212137547 0.116873896 2 1: GGA PBEJsJrHEG 0 3 Ex -0.134801671 -0.094377176 0.040424495 2 1: GGA PBEJsJrHEG 0 4 Ex 0.004096171 0.011706443 0.007610273 2 1: GGA PBEGcGxLO 0 1 Ex -1.374233260 -1.516200611 0.141967352 2 1: GGA PBEGcGxLO 0 2 Ex -1.250991551 -1.109024199 0.141967352 2 1: GGA PBEGcGxLO 0 3 Ex -0.179181089 -0.130051438 0.049129651 2 1: GGA PBEGcGxLO 0 4 Ex 0.005444713 0.015537961 0.010093248 2 1: GGA PBEGcGxHEG 0 1 Ex -1.411099778 -1.521541587 0.110441810 2 1: GGA PBEGcGxHEG 0 2 Ex -1.301867855 -1.191426045 0.110441810 2 1: GGA PBEGcGxHEG 0 3 Ex -0.158812264 -0.120605345 0.038206919 2 1: GGA PBEGcGxHEG 0 4 Ex 0.004825772 0.012252908 0.007427136 2 1: GGA PBESOL 0 1 Ex -1.374233260 -1.516200611 0.141967352 2 1: GGA PBESOL 0 2 Ex -1.250991551 -1.109024199 0.141967352 2 1: GGA PBESOL 0 3 Ex -0.179181089 -0.130051438 0.049129651 2 1: GGA PBESOL 0 4 Ex 0.005444713 0.015537961 0.010093248 2 1: GGA AM05 0 1 Ex -1.311598408 -1.435241890 0.123643481 2 1: GGA AM05 0 1 Ec -0.079058601 -0.076958708 0.002099893 2 1: GGA AM05 0 2 Ex -1.109373915 -0.985730434 0.123643481 2 1: GGA AM05 0 2 Ec -0.093201053 -0.095300946 0.002099893 2 1: GGA AM05 0 3 Ex -0.294014138 -0.251189263 0.042824876 2 1: GGA AM05 0 3 Ec 0.020561707 0.019836150 0.000725557 2 1: GGA AM05 0 4 Ex 0.008934104 0.018923774 0.009989670 2 1: GGA AM05 0 4 Ec -0.000624801 -0.000736634 0.000111833 2 1: GGA PW86 0 1 Ex -1.403224672 -1.594431625 0.191206953 2 1: GGA PW86 0 2 Ex -1.325825138 -1.134618185 0.191206953 2 1: GGA PW86 0 3 Ex -0.112531163 -0.046389862 0.066141301 2 1: GGA PW86 0 4 Ex 0.003419445 0.016080254 0.012660809 2 1: GGA B88 0 1 Ex -1.312357363 -1.550093105 0.237735742 2 1: GGA B88 0 2 Ex -1.152751108 -0.915015366 0.237735742 2 1: GGA B88 0 3 Ex -0.232051493 -0.149756470 0.082295023 2 1: GGA B88 0 4 Ex 0.007051267 0.024725709 0.017674442 2 1: GGA C09 0 1 Ex -1.268098929 -1.465065349 0.196966420 2 1: GGA C09 0 2 Ex -1.046481138 -0.849514718 0.196966421 2 1: GGA C09 0 3 Ex -0.322210048 -0.253993581 0.068216467 2 1: GGA C09 0 4 Ex 0.009790883 0.025560625 0.015769742 2 1: GGA BH 0 1 Ex -1.346987126 -1.519498287 0.172511161 2 1: GGA BH 0 2 Ex -1.217576677 -1.045065516 0.172511161 2 1: GGA BH 0 3 Ex -0.188149819 -0.128425461 0.059724358 2 1: GGA BH 0 4 Ex 0.005717242 0.018792395 0.013075153 2 1: 1: iSpin dens gradDens 1: 1 0.568167868 3.656808545 3.181739487 -4.319743125 1: 2 0.579138606 0.395647275 4.613669241 2.216507931 1: 3 0.010152816 -2.529119870 -2.057354334 -1.580184589 1: 4 -0.064372887 3.739165746 -1.731503197 2.096598689 1: GGA PW91 0 1 Ex -0.990660809 -1.068205455 0.077544647 2 1: GGA PW91 0 2 Ex -0.989569654 -0.912025007 0.077544647 2 1: GGA PW91 0 3 Ex 0.001009804 -0.375112650 0.376122454 2 1: GGA PW91 0 4 Ex -0.006402558 -0.059116381 0.052713823 2 7: 2 11.000 0.000000008 -0.020221667 -0.020223261 0.000001595 1: GGA PBE 0 1 Ex -1.018280501 -1.102433927 0.084153427 2 1: GGA PBE 0 2 Ex -1.014451775 -0.930298348 0.084153427 2 1: GGA PBE 0 3 Ex 0.003543276 -0.312790787 0.316334062 2 1: GGA PBE 0 4 Ex -0.022465774 -0.065186694 0.042720919 2 1: GGA RPBE 0 1 Ex -0.944926157 -1.061549623 0.116623466 2 1: GGA RPBE 0 2 Ex -0.936993403 -0.820369937 0.116623466 2 1: GGA RPBE 0 3 Ex 0.007341328 -0.456211768 0.463553097 2 1: GGA RPBE 0 4 Ex -0.046546939 -0.109720221 0.063173282 2 1: GGA revPBE 0 1 Ex -0.919802887 -1.016862763 0.097059876 2 1: GGA revPBE 0 2 Ex -0.917691166 -0.820631290 0.097059876 2 1: GGA revPBE 0 3 Ex 0.001954282 -0.518774606 0.520728888 2 1: GGA revPBE 0 4 Ex -0.012390923 -0.086248964 0.073858041 2 1: GGA LYP 0 1 Ex -0.904642710 -0.970309362 0.065666652 2 1: GGA LYP 0 1 Ec -0.103131314 -0.125938636 0.022807322 2 1: GGA LYP 0 2 Ex -0.910561420 -0.844894768 0.065666652 2 1: GGA LYP 0 2 Ec -0.098340219 -0.075532897 0.022807322 2 1: GGA LYP 0 3 Ex -0.005477441 -0.566172978 0.560695537 2 1: GGA LYP 0 3 Ec 0.004433895 0.117118086 0.112684191 2 1: GGA LYP 0 4 Ex 0.034729152 -0.048107475 0.082836627 2 1: GGA LYP 0 4 Ec -0.028112655 -0.008396770 0.019715885 2 1: GGA WC 0 1 Ex -0.940069043 -0.989301121 0.049232078 2 1: GGA WC 0 2 Ex -0.945700557 -0.896468479 0.049232078 2 1: GGA WC 0 3 Ex -0.005211657 -0.417738418 0.412526761 2 1: GGA WC 0 4 Ex 0.033043976 -0.027824074 0.060868051 2 1: GGA PBEJsJrLO 0 1 Ex -0.964020599 -1.030015908 0.065995309 2 1: GGA PBEJsJrLO 0 2 Ex -0.964285992 -0.898290683 0.065995309 2 1: GGA PBEJsJrLO 0 3 Ex -0.000245606 -0.335834056 0.335588449 2 1: GGA PBEJsJrLO 0 4 Ex 0.001557242 -0.045747754 0.047304996 2 1: GGA PBEJsJrHEG 0 1 Ex -1.021071456 -1.078975137 0.057903682 2 1: GGA PBEJsJrHEG 0 2 Ex -1.020473949 -0.962570267 0.057903682 2 1: GGA PBEJsJrHEG 0 3 Ex 0.000552960 -0.216391954 0.216944914 2 1: GGA PBEJsJrHEG 0 4 Ex -0.003505984 -0.032788167 0.029282183 2 1: GGA PBEGcGxLO 0 1 Ex -0.945549788 -1.001298863 0.055749075 2 1: GGA PBEGcGxLO 0 2 Ex -0.947930253 -0.892181179 0.055749075 2 1: GGA PBEGcGxLO 0 3 Ex -0.002202990 -0.337226427 0.335023437 2 1: GGA PBEGcGxLO 0 4 Ex 0.013967830 -0.034121158 0.048088988 2 1: GGA PBEGcGxHEG 0 1 Ex -0.998266975 -1.049537605 0.051270631 2 1: GGA PBEGcGxHEG 0 2 Ex -0.999204220 -0.947933590 0.051270631 2 1: GGA PBEGcGxHEG 0 3 Ex -0.000867370 -0.227309044 0.226441674 2 1: GGA PBEGcGxHEG 0 4 Ex 0.005499468 -0.025845751 0.031345220 2 1: GGA PBESOL 0 1 Ex -0.945549788 -1.001298863 0.055749075 2 1: GGA PBESOL 0 2 Ex -0.947930253 -0.892181179 0.055749075 2 1: GGA PBESOL 0 3 Ex -0.002202990 -0.337226427 0.335023437 2 1: GGA PBESOL 0 4 Ex 0.013967830 -0.034121158 0.048088988 2 1: GGA AM05 0 1 Ex -0.866023248 -0.891911623 0.025888374 2 1: GGA AM05 0 1 Ec -0.070716134 -0.069528322 0.001187813 2 7: 2 11.200 0.000000005 -0.018978407 -0.018979888 0.000001481 1: GGA AM05 0 2 Ex -0.875107891 -0.849219517 0.025888374 2 1: GGA AM05 0 2 Ec -0.070174088 -0.071361901 0.001187813 2 1: GGA AM05 0 3 Ex -0.008407338 -0.366213622 0.357806284 2 1: GGA AM05 0 3 Ec 0.000501634 0.001870813 0.001369179 2 1: GGA AM05 0 4 Ex 0.053305864 -0.000920912 0.054226776 2 1: GGA AM05 0 4 Ec -0.003180559 -0.003065830 0.000114729 2 1: GGA PW86 0 1 Ex -1.058121678 -1.129353306 0.071231628 2 1: GGA PW86 0 2 Ex -1.057898345 -0.986666716 0.071231628 2 1: GGA PW86 0 3 Ex 0.000206683 -0.329565691 0.329772374 2 1: GGA PW86 0 4 Ex -0.001310449 -0.047251942 0.045941492 2 1: GGA B88 0 1 Ex -0.904040852 -0.969675067 0.065634215 2 1: GGA B88 0 2 Ex -0.909950642 -0.844316427 0.065634215 2 1: GGA B88 0 3 Ex -0.005469186 -0.565983492 0.560514306 2 1: GGA B88 0 4 Ex 0.034676813 -0.048133993 0.082810806 2 1: GGA C09 0 1 Ex -0.815218516 -0.850102958 0.034884442 2 1: GGA C09 0 2 Ex -0.827275907 -0.792391465 0.034884442 2 1: GGA C09 0 3 Ex -0.011158453 -0.572680575 0.561522121 2 1: GGA C09 0 4 Ex 0.070749027 -0.014840993 0.085590020 2 1: GGA BH 0 1 Ex -0.765941240 -0.817613705 0.051672464 2 1: GGA BH 0 2 Ex -0.775134019 -0.723461554 0.051672464 2 1: GGA BH 0 3 Ex -0.008507412 -0.654308494 0.645801082 2 1: GGA BH 0 4 Ex 0.053940370 -0.043511480 0.097451851 2 1: 1: iSpin dens gradDens 1: 1 0.161452888 1.589342862 0.570708084 -1.169632672 1: 2 0.238024526 1.139922547 -1.960307996 1.285361123 1: 3 -0.005335800 -0.707439872 0.213124192 0.506701103 1: 4 -0.056394984 1.795813790 1.984669745 -1.244314911 1: GGA PW91 0 1 Ex -1.430445808 -1.357975591 0.072470217 2 1: GGA PW91 0 2 Ex -1.053850143 -1.126320360 0.072470218 2 1: GGA PW91 0 3 Ex -0.026242606 0.073129812 0.099372418 2 1: GGA PW91 0 4 Ex -0.277362573 -0.335963760 0.058601187 2 1: GGA PBE 0 1 Ex -1.015363205 -1.013114927 0.002248278 2 1: GGA PBE 0 2 Ex -0.950924967 -0.953173246 0.002248279 2 1: GGA PBE 0 3 Ex -0.004490299 -0.056278976 0.051788676 2 1: GGA PBE 0 4 Ex -0.047458739 -0.044085090 0.003373649 2 1: GGA RPBE 0 1 Ex -1.100807160 -1.091677423 0.009129737 2 1: GGA RPBE 0 2 Ex -1.007292541 -1.016422279 0.009129737 2 1: GGA RPBE 0 3 Ex -0.006516451 -0.058293353 0.051776901 2 1: GGA RPBE 0 4 Ex -0.068873483 -0.070172681 0.001299198 2 1: GGA revPBE 0 1 Ex -1.120301119 -1.119180514 0.001120605 2 1: GGA revPBE 0 2 Ex -0.925905782 -0.927026387 0.001120605 2 1: GGA revPBE 0 3 Ex -0.013546200 -0.107026107 0.093479907 2 1: GGA revPBE 0 4 Ex -0.143172096 -0.135088276 0.008083820 2 1: GGA LYP 0 1 Ex -0.697176829 -0.768296455 0.071119626 2 1: GGA LYP 0 1 Ec -0.218869475 -0.133353689 0.085515786 2 1: GGA LYP 0 2 Ex -0.708792264 -0.637672639 0.071119625 2 1: GGA LYP 0 2 Ec -0.170413146 -0.255928932 0.085515786 2 1: GGA LYP 0 3 Ex 0.000809407 -0.276818085 0.277627492 2 1: GGA LYP 0 3 Ec -0.003376620 0.125783516 0.129160136 2 1: GGA LYP 0 4 Ex 0.008554764 0.083104620 0.074549857 2 1: GGA LYP 0 4 Ec -0.035688069 -0.105964082 0.070276013 2 1: GGA WC 0 1 Ex -0.983917852 -0.979853042 0.004064810 2 1: GGA WC 0 2 Ex -0.858071284 -0.862136094 0.004064810 2 1: GGA WC 0 3 Ex -0.008769463 -0.071618697 0.062849233 2 7: 2 11.400 0.000000003 -0.017861495 -0.017862930 0.000001434 1: GGA WC 0 4 Ex -0.092685952 -0.089499030 0.003186922 2 1: GGA PBEJsJrLO 0 1 Ex -0.968693408 -0.967660221 0.001033186 2 1: GGA PBEJsJrLO 0 2 Ex -0.879546032 -0.880579218 0.001033186 2 1: GGA PBEJsJrLO 0 3 Ex -0.006212125 -0.065445873 0.059233748 2 1: GGA PBEJsJrLO 0 4 Ex -0.065657011 -0.060754038 0.004902973 2 1: GGA PBEJsJrHEG 0 1 Ex -0.906760737 -0.905211220 0.001549517 2 1: GGA PBEJsJrHEG 0 2 Ex -0.892447241 -0.893996758 0.001549517 2 1: GGA PBEJsJrHEG 0 3 Ex -0.000997418 -0.036492012 0.035494594 2 1: GGA PBEJsJrHEG 0 4 Ex -0.010541885 -0.008235518 0.002306367 2 1: GGA PBEGcGxLO 0 1 Ex -0.941246729 -0.941277714 0.000030985 2 1: GGA PBEGcGxLO 0 2 Ex -0.845026951 -0.844995966 0.000030985 2 1: GGA PBEGcGxLO 0 3 Ex -0.006704957 -0.069268895 0.062563938 2 1: GGA PBEGcGxLO 0 4 Ex -0.070865832 -0.064925321 0.005940510 2 1: GGA PBEGcGxHEG 0 1 Ex -0.889650755 -0.888478026 0.001172729 2 1: GGA PBEGcGxHEG 0 2 Ex -0.864862916 -0.866035645 0.001172729 2 1: GGA PBEGcGxHEG 0 3 Ex -0.001727310 -0.040156069 0.038428758 2 1: GGA PBEGcGxHEG 0 4 Ex -0.018256235 -0.015416456 0.002839779 2 1: GGA PBESOL 0 1 Ex -0.941246729 -0.941277714 0.000030985 2 1: GGA PBESOL 0 2 Ex -0.845026951 -0.844995966 0.000030985 2 1: GGA PBESOL 0 3 Ex -0.006704957 -0.069268895 0.062563938 2 1: GGA PBESOL 0 4 Ex -0.070865832 -0.064925321 0.005940510 2 1: GGA AM05 0 1 Ex -0.595452271 -0.643984131 0.048531860 2 1: GGA AM05 0 1 Ec -0.067613813 -0.067633185 0.000019372 2 1: GGA AM05 0 2 Ex -0.635114059 -0.586582199 0.048531860 2 1: GGA AM05 0 2 Ec -0.054799312 -0.054779940 0.000019372 2 1: GGA AM05 0 3 Ex 0.002763783 -0.181844050 0.184607833 2 1: GGA AM05 0 3 Ec -0.000892963 -0.000651274 0.000241689 2 1: GGA AM05 0 4 Ex 0.029210893 0.079625174 0.050414281 2 1: GGA AM05 0 4 Ec -0.009437876 -0.009447592 0.000009716 2 1: GGA PW86 0 1 Ex -0.893884951 -0.918706732 0.024821781 2 1: GGA PW86 0 2 Ex -0.896591584 -0.871769804 0.024821780 2 1: GGA PW86 0 3 Ex 0.000188608 -0.122502122 0.122690730 2 1: GGA PW86 0 4 Ex 0.001993434 0.030452976 0.028459542 2 1: GGA B88 0 1 Ex -0.696940431 -0.768051330 0.071110899 2 1: GGA B88 0 2 Ex -0.708507020 -0.637396121 0.071110899 2 1: GGA B88 0 3 Ex 0.000806004 -0.276775824 0.277581827 2 1: GGA B88 0 4 Ex 0.008518789 0.083058401 0.074539612 2 1: GGA C09 0 1 Ex -1.133825067 -1.124387445 0.009437622 2 1: GGA C09 0 2 Ex -0.743478137 -0.752915759 0.009437622 2 1: GGA C09 0 3 Ex -0.027200846 -0.123116404 0.095915558 2 1: GGA C09 0 4 Ex -0.287490375 -0.284822422 0.002667953 2 1: GGA BH 0 1 Ex -0.884108600 -0.904288698 0.020180099 2 1: GGA BH 0 2 Ex -0.801017864 -0.780837766 0.020180098 2 1: GGA BH 0 3 Ex -0.005790076 -0.143591450 0.137801374 2 1: GGA BH 0 4 Ex -0.061196297 -0.034458241 0.026738056 2 7: 2 11.600 0.000000002 -0.016855994 -0.016857320 0.000001326 7: avgDiffVxc, maxDiffVxc = 0.000000678 0.000002262 1: 1: iSpin dens gradDens 1: 1 0.783727994 6.166283994 4.549067558 -2.323456523 1: 2 1.824630644 0.936511093 -7.043969628 -7.129185778 1: 3 0.763990132 2.370102207 -12.115888764 -9.419196782 1: 4 -0.732759637 5.104461502 -8.742940999 -0.906815339 1: GGA PW91 0 1 Ex -0.889228369 -0.883185870 0.006042499 2 1: GGA PW91 0 2 Ex -1.329348318 -1.335390817 0.006042500 2 1: GGA PW91 0 3 Ex -0.323034337 -0.408122046 0.085087708 2 1: GGA PW91 0 4 Ex 0.309829295 0.216823358 0.093005936 2 1: GGA PBE 0 1 Ex -1.237791059 -1.225970800 0.011820259 2 1: GGA PBE 0 2 Ex -1.462037506 -1.473857766 0.011820260 2 1: GGA PBE 0 3 Ex -0.164589909 -0.251646168 0.087056259 2 1: GGA PBE 0 4 Ex 0.157861780 0.058699669 0.099162111 2 1: GGA RPBE 0 1 Ex -1.251418644 -1.239063793 0.012354850 2 1: GGA RPBE 0 2 Ex -1.462750658 -1.475105508 0.012354850 2 1: GGA RPBE 0 3 Ex -0.155111118 -0.247588814 0.092477696 2 1: GGA RPBE 0 4 Ex 0.148770464 0.043576152 0.105194311 2 1: GGA revPBE 0 1 Ex -1.411713366 -1.399075362 0.012638004 2 1: GGA revPBE 0 2 Ex -1.526220193 -1.538858198 0.012638005 2 1: GGA revPBE 0 3 Ex -0.084044445 -0.175291092 0.091246647 2 1: GGA revPBE 0 4 Ex 0.080608865 -0.023503044 0.104111909 2 5/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.20 sec 1: GGA LYP 0 1 Ex -1.090359879 -1.048237995 0.042121885 2 1: GGA LYP 0 1 Ec -0.200902536 -0.199452417 0.001450119 2 1: GGA LYP 0 2 Ex -1.408232175 -1.450354060 0.042121886 2 1: GGA LYP 0 2 Ec -0.078947455 -0.080397574 0.001450119 2 1: GGA LYP 0 3 Ex -0.233308366 -0.346795361 0.113486995 2 1: GGA LYP 0 3 Ec 0.089511232 0.041706920 0.047804312 2 1: GGA LYP 0 4 Ex 0.223771154 0.075529726 0.148241428 2 1: GGA LYP 0 4 Ec -0.085852179 -0.136723894 0.050871714 2 1: GGA WC 0 1 Ex -1.237086842 -1.226964286 0.010122557 2 1: GGA WC 0 2 Ex -1.472239526 -1.482362082 0.010122556 2 1: GGA WC 0 3 Ex -0.172594747 -0.246532532 0.073937785 2 1: GGA WC 0 4 Ex 0.165539395 0.081260686 0.084278709 2 1: GGA PBEJsJrLO 0 1 Ex -1.236464760 -1.227839778 0.008624982 2 1: GGA PBEJsJrLO 0 2 Ex -1.473584329 -1.482209311 0.008624983 2 1: GGA PBEJsJrLO 0 3 Ex -0.174038380 -0.236564889 0.062526510 2 1: GGA PBEJsJrLO 0 4 Ex 0.166924014 0.095606604 0.071317410 2 1: GGA PBEJsJrHEG 0 1 Ex -1.136670013 -1.128526453 0.008143560 2 1: GGA PBEJsJrHEG 0 2 Ex -1.436872827 -1.445016388 0.008143561 2 1: GGA PBEJsJrHEG 0 3 Ex -0.220339517 -0.280324138 0.059984620 2 1: GGA PBEJsJrHEG 0 4 Ex 0.211332448 0.143007198 0.068325249 2 1: GGA PBEGcGxLO 0 1 Ex -1.234060971 -1.226793270 0.007267700 2 1: GGA PBEGcGxLO 0 2 Ex -1.478060415 -1.485328116 0.007267701 2 1: GGA PBEGcGxLO 0 3 Ex -0.179087994 -0.231019818 0.051931824 2 1: GGA PBEGcGxLO 0 4 Ex 0.171767210 0.112460060 0.059307150 2 1: GGA PBEGcGxHEG 0 1 Ex -1.136501631 -1.129646947 0.006854684 2 1: GGA PBEGcGxHEG 0 2 Ex -1.441597119 -1.448451804 0.006854684 2 1: GGA PBEGcGxHEG 0 3 Ex -0.223930588 -0.274056389 0.050125801 2 1: GGA PBEGcGxHEG 0 4 Ex 0.214776722 0.157645918 0.057130804 2 1: GGA PBESOL 0 1 Ex -1.234060971 -1.226793270 0.007267700 2 1: GGA PBESOL 0 2 Ex -1.478060415 -1.485328116 0.007267701 2 1: GGA PBESOL 0 3 Ex -0.179087994 -0.231019818 0.051931824 2 1: GGA PBESOL 0 4 Ex 0.171767210 0.112460060 0.059307150 2 1: GGA AM05 0 1 Ex -0.993161319 -0.971933578 0.021227740 2 1: GGA AM05 0 1 Ec -0.159175792 -0.159642729 0.000466937 2 1: GGA AM05 0 2 Ex -1.405063910 -1.426291651 0.021227740 2 1: GGA AM05 0 2 Ec -0.093348309 -0.092881371 0.000466937 2 1: GGA AM05 0 3 Ex -0.302323676 -0.327838251 0.025514576 2 1: GGA AM05 0 3 Ec 0.048315322 0.051806663 0.003491340 2 1: GGA AM05 0 4 Ex 0.289965246 0.248285973 0.041679274 2 1: GGA AM05 0 4 Ec -0.046340282 -0.042368492 0.003971790 2 1: GGA PW86 0 1 Ex -1.203930155 -1.178723381 0.025206774 2 1: GGA PW86 0 2 Ex -1.414558472 -1.439765246 0.025206774 2 1: GGA PW86 0 3 Ex -0.154594626 -0.281456521 0.126861895 2 1: GGA PW86 0 4 Ex 0.148275085 -0.001897125 0.150172210 2 1: GGA B88 0 1 Ex -1.089444483 -1.047338376 0.042106107 2 1: GGA B88 0 2 Ex -1.406366460 -1.448472567 0.042106108 2 1: GGA B88 0 3 Ex -0.232610862 -0.346006973 0.113396112 2 1: GGA B88 0 4 Ex 0.223102162 0.074966697 0.148135465 2 1: GGA C09 0 1 Ex -1.442602581 -1.436841117 0.005761464 2 1: GGA C09 0 2 Ex -1.564198332 -1.569959796 0.005761464 2 1: GGA C09 0 3 Ex -0.089247495 -0.130097806 0.040850311 2 1: GGA C09 0 4 Ex 0.085599223 0.038915708 0.046683516 2 1: GGA BH 0 1 Ex -1.237798703 -1.223268803 0.014529901 2 1: GGA BH 0 2 Ex -1.483672848 -1.498202750 0.014529902 2 1: GGA BH 0 3 Ex -0.180463966 -0.229595320 0.049131354 2 1: GGA BH 0 4 Ex 0.173086934 0.111541546 0.061545388 2 1: 1: iSpin dens gradDens 1: 1 0.130905068 -0.427337023 -0.219777717 0.279298201 1: 2 0.066649892 0.661663107 -0.631963653 0.031585269 1: 3 -0.002253711 0.836443604 -0.254293789 0.127828186 1: 4 0.009051087 0.654957600 -0.364002770 0.951851270 1: GGA PW91 0 1 Ex -0.580521972 -0.507659161 0.072862812 2 1: GGA PW91 0 2 Ex -0.814142616 -0.887005428 0.072862812 2 1: GGA PW91 0 3 Ex -0.008194100 0.044454209 0.052648310 2 1: GGA PW91 0 4 Ex 0.032908176 -0.212615088 0.245523265 2 1: GGA PBE 0 1 Ex -0.574265506 -0.513240155 0.061025351 2 1: GGA PBE 0 2 Ex -0.688383616 -0.749408968 0.061025351 2 1: GGA PBE 0 3 Ex 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revPBE 0 3 Ex -0.056695672 -0.063736268 0.007040595 2 1: GGA revPBE 0 4 Ex -0.039423170 -0.152658736 0.113235566 2 1: GGA LYP 0 1 Ex -1.409068171 -1.345999149 0.063069021 2 1: GGA LYP 0 1 Ec -0.065255353 -0.045624313 0.019631039 2 1: GGA LYP 0 2 Ex -1.171982287 -1.235051309 0.063069021 2 1: GGA LYP 0 2 Ec -0.121953607 -0.141584646 0.019631039 2 1: GGA LYP 0 3 Ex -0.106202292 -0.081615496 0.024586797 2 1: GGA LYP 0 3 Ec 0.025397904 -0.025459377 0.050857281 2 1: GGA LYP 0 4 Ex -0.073847452 -0.210447443 0.136599991 2 1: GGA LYP 0 4 Ec 0.017660358 0.059287233 0.041626875 2 1: GGA WC 0 1 Ex -1.447754519 -1.396475439 0.051279080 2 1: GGA WC 0 2 Ex -1.247306980 -1.298586059 0.051279080 2 1: GGA WC 0 3 Ex -0.089790197 -0.084510516 0.005279680 2 1: GGA WC 0 4 Ex -0.062435350 -0.152343491 0.089908141 2 1: GGA PBEJsJrLO 0 1 Ex -1.444593480 -1.390748221 0.053845259 2 1: GGA PBEJsJrLO 0 2 Ex -1.303154898 -1.357000156 0.053845258 2 1: GGA PBEJsJrLO 0 3 Ex -0.063357216 -0.074270287 0.010913070 2 1: 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0.001867722 2 1: GGA AM05 0 2 Ex -0.433476174 -0.337219639 0.096256534 2 1: GGA AM05 0 2 Ec -0.079373985 -0.081241707 0.001867722 2 1: GGA AM05 0 3 Ex -0.068116883 0.021451583 0.089568466 2 1: GGA AM05 0 3 Ec 0.008964615 0.025734271 0.016769656 2 1: GGA AM05 0 4 Ex -0.138055949 -0.133731632 0.004324317 2 1: GGA AM05 0 4 Ec 0.018169042 0.008953472 0.009215570 2 1: GGA PW86 0 1 Ex -0.593680994 -0.681723815 0.088042821 2 1: GGA PW86 0 2 Ex -0.538312361 -0.450269539 0.088042821 2 1: GGA PW86 0 3 Ex -0.027099777 -0.156553667 0.129453890 2 1: GGA PW86 0 4 Ex -0.054924496 0.053325509 0.108250004 2 1: GGA B88 0 1 Ex -0.572072566 -0.730317833 0.158245268 2 1: GGA B88 0 2 Ex -0.460937378 -0.302692110 0.158245267 2 1: GGA B88 0 3 Ex -0.054394314 -0.061561401 0.007167087 2 1: GGA B88 0 4 Ex -0.110243721 -0.026945031 0.083298690 2 1: GGA C09 0 1 Ex -0.579847715 -0.707036206 0.127188490 2 1: GGA C09 0 2 Ex -0.462297948 -0.335109458 0.127188490 2 1: GGA C09 0 3 Ex -0.057533884 0.003654802 0.061188685 2 1: GGA C09 0 4 Ex -0.116606846 -0.082688889 0.033917957 2 1: GGA BH 0 1 Ex -0.618543389 -0.692718608 0.074175219 2 1: GGA BH 0 2 Ex -0.555950602 -0.481775383 0.074175218 2 1: GGA BH 0 3 Ex -0.030635587 -0.030454436 0.000181151 2 1: GGA BH 0 4 Ex -0.062090702 -0.024792570 0.037298132 2 1: 1: iSpin dens gradDens 1: 1 0.451316597 3.690806772 -2.951266003 -0.984851010 1: 2 1.259810048 6.605633949 0.386309839 0.274953952 1: 3 0.179961130 -7.389348029 8.184044063 -1.696526135 1: 4 -0.248881753 -6.056490696 -7.378076671 5.116199957 1: GGA PW91 0 1 Ex -1.916880893 -1.943469977 0.026589084 2 1: GGA PW91 0 2 Ex -1.344700595 -1.318111511 0.026589084 2 1: GGA PW91 0 3 Ex 0.127360602 0.305944699 0.178584097 2 1: GGA PW91 0 4 Ex -0.176136536 -0.003818777 0.172317759 2 1: GGA PBE 0 1 Ex -1.338950055 -1.469299573 0.130349519 2 1: GGA PBE 0 2 Ex -1.263981317 -1.133631797 0.130349519 2 1: GGA PBE 0 3 Ex 0.016687159 0.034138162 0.017451003 2 1: GGA PBE 0 4 Ex -0.023077925 0.201261014 0.224338939 2 1: GGA RPBE 0 1 Ex -1.532395592 -1.664835756 0.132440164 2 1: GGA RPBE 0 2 Ex -1.254256706 -1.121816541 0.132440165 2 1: GGA RPBE 0 3 Ex 0.061910444 0.115252831 0.053342387 2 1: GGA RPBE 0 4 Ex -0.085620599 0.168066375 0.253686974 2 1: GGA revPBE 0 1 Ex -1.445678223 -1.609742108 0.164063885 2 1: GGA revPBE 0 2 Ex -1.253147744 -1.089083860 0.164063884 2 1: GGA revPBE 0 3 Ex 0.042855019 0.033521052 0.009333968 2 1: GGA revPBE 0 4 Ex -0.059267423 0.200464502 0.259731924 2 1: GGA LYP 0 1 Ex -0.920127932 -1.178514429 0.258386497 2 1: GGA LYP 0 1 Ec -0.197715725 -0.189660286 0.008055438 2 1: GGA LYP 0 2 Ex -1.227670160 -0.969283663 0.258386497 2 1: GGA LYP 0 2 Ec -0.067776082 -0.075831521 0.008055438 2 1: GGA LYP 0 3 Ex -0.068455281 -0.262772850 0.194317569 2 1: GGA LYP 0 3 Ec 0.028923036 0.133749686 0.104826650 2 1: GGA LYP 0 4 Ex 0.094671947 0.373849851 0.279177905 2 1: GGA LYP 0 4 Ec -0.039999837 0.022714033 0.062713870 2 1: GGA WC 0 1 Ex -1.329917030 -1.429948036 0.100031006 2 1: GGA WC 0 2 Ex -1.309274043 -1.209243036 0.100031006 2 1: GGA WC 0 3 Ex 0.004594886 0.007838079 0.003243193 2 1: GGA WC 0 4 Ex -0.006354613 0.158466049 0.164820662 2 1: GGA PBEJsJrLO 0 1 Ex -1.273507121 -1.382661490 0.109154369 2 1: GGA PBEJsJrLO 0 2 Ex -1.275895358 -1.166740989 0.109154369 2 1: GGA PBEJsJrLO 0 3 Ex -0.000531593 -0.003100287 0.002568694 2 1: GGA PBEJsJrLO 0 4 Ex 0.000735180 0.176172032 0.175436852 2 1: GGA PBEJsJrHEG 0 1 Ex -1.209146015 -1.298818223 0.089672208 2 1: GGA PBEJsJrHEG 0 2 Ex -1.282454771 -1.192782563 0.089672208 2 1: GGA PBEJsJrHEG 0 3 Ex -0.016317666 -0.004183951 0.012133715 2 1: GGA PBEJsJrHEG 0 4 Ex 0.022566926 0.176990836 0.154423910 2 1: GGA PBEGcGxLO 0 1 Ex -1.232327696 -1.332031332 0.099703637 2 1: GGA PBEGcGxLO 0 2 Ex -1.282090717 -1.182387081 0.099703637 2 1: GGA PBEGcGxLO 0 3 Ex -0.011076663 -0.024304015 0.013227352 2 1: GGA PBEGcGxLO 0 4 Ex 0.015318749 0.167698177 0.152379428 2 1: GGA PBEGcGxHEG 0 1 Ex -1.185725199 -1.267000439 0.081275241 2 1: GGA PBEGcGxHEG 0 2 Ex -1.286868332 -1.205593091 0.081275241 2 1: GGA PBEGcGxHEG 0 3 Ex -0.022513271 -0.017931751 0.004581521 2 1: GGA PBEGcGxHEG 0 4 Ex 0.031135293 0.166459578 0.135324285 2 1: GGA PBESOL 0 1 Ex -1.232327696 -1.332031332 0.099703637 2 1: GGA PBESOL 0 2 Ex -1.282090717 -1.182387081 0.099703637 2 1: GGA PBESOL 0 3 Ex -0.011076663 -0.024304015 0.013227352 2 1: GGA PBESOL 0 4 Ex 0.015318749 0.167698177 0.152379428 2 1: GGA AM05 0 1 Ex -0.807986597 -0.940851371 0.132864774 2 1: GGA AM05 0 1 Ec -0.103341200 -0.100414810 0.002926390 2 1: GGA AM05 0 2 Ex -1.256171308 -1.123306534 0.132864774 2 1: GGA AM05 0 2 Ec -0.064836623 -0.067763012 0.002926390 2 1: GGA AM05 0 3 Ex -0.099760643 -0.247968375 0.148207731 2 1: GGA AM05 0 3 Ec 0.008570666 0.007468843 0.001101823 2 1: GGA AM05 0 4 Ex 0.137966481 0.246606503 0.108640022 2 1: GGA AM05 0 4 Ec -0.011853017 -0.017402917 0.005549900 2 1: GGA PW86 0 1 Ex -1.161757750 -1.359012306 0.197254556 2 1: GGA PW86 0 2 Ex -1.224877810 -1.027623253 0.197254557 2 1: GGA PW86 0 3 Ex -0.014049783 -0.060270264 0.046220481 2 1: GGA PW86 0 4 Ex 0.019430499 0.306400588 0.286970089 2 1: GGA B88 0 1 Ex -0.919535658 -1.177810542 0.258274885 2 1: GGA B88 0 2 Ex -1.226400062 -0.968125178 0.258274884 2 1: GGA B88 0 3 Ex -0.068304406 -0.262587748 0.194283342 2 1: GGA B88 0 4 Ex 0.094463289 0.373484654 0.279021365 2 1: GGA C09 0 1 Ex -1.318610119 -1.440365412 0.121755293 2 1: GGA C09 0 2 Ex -1.296216676 -1.174461383 0.121755293 2 1: GGA C09 0 3 Ex 0.004984517 -0.064557514 0.069542030 2 1: GGA C09 0 4 Ex -0.006893462 0.140583465 0.147476927 2 1: GGA BH 0 1 Ex -1.199303108 -1.326825895 0.127522787 2 1: GGA BH 0 2 Ex -1.275872651 -1.148349864 0.127522787 2 1: GGA BH 0 3 Ex -0.017043479 -0.086775265 0.069731785 2 1: GGA BH 0 4 Ex 0.023570707 0.180278290 0.156707584 2 1: 1: Some errors found. Error codes: 1: error 1 => V=dE/dDens is positive 1: error 2 => analytical and numerical value of dE/dDens differ 1: error 3 => analytical and numerical value of dE/dGradDens differ 6/9 Test #1: libgridxc_test1 .................. Passed 0.29 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 -1.000195109 0.000834948 2: 1 0.400 0.046677283 -0.999006885 -0.998709312 -0.000297572 2: 1 0.600 0.045524817 -0.987412253 -0.987508032 0.000095779 3: Ex, Ec = -3.716289981 -0.771674483 3: Dx, Dc = 1.192543612 0.121155159 2: 1 0.800 0.043959010 -0.980158453 -0.980143445 -0.000015008 2: 1 1.000 0.042024703 -0.963929151 -0.963927471 -0.000001680 2: 1 1.200 0.039775757 -0.949006509 -0.949005809 -0.000000700 2: 1 1.400 0.037272568 -0.929353368 -0.929356357 0.000002989 2: 1 1.600 0.034579382 -0.908100586 -0.908099065 -0.000001520 2: 1 1.800 0.031761587 -0.884442948 -0.884442165 -0.000000783 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 -0.313846992 -0.000000014 2: 1 2.200 0.026004187 -0.831341143 -0.831341122 -0.000000020 2: 1 2.400 0.023179251 -0.802320622 -0.802320404 -0.000000217 2: 1 2.600 0.020455616 -0.772056571 -0.772056926 0.000000354 2: 1 2.800 0.017872394 -0.740675199 -0.740674877 -0.000000322 2: 1 3.000 0.015460016 -0.708430779 -0.708429558 -0.000001221 2: 1 3.200 0.013240188 -0.675669578 -0.675674005 0.000004427 3: 4 2 23 2 -0.524218962 -0.524218947 -0.000000015 2: 1 3.400 0.011226266 -0.642459702 -0.642454692 -0.000005011 2: 1 3.600 0.009423960 -0.609091304 -0.609092447 0.000001143 2: 1 3.800 0.007832284 -0.575839731 -0.575841530 0.000001799 2: 1 4.000 0.006444664 -0.542697531 -0.542696460 -0.000001071 2: 1 4.200 0.005250115 -0.510078329 -0.510077513 -0.000000816 2: 1 4.400 0.004234421 -0.478003232 -0.478007539 0.000004307 2: 1 4.600 0.003381238 -0.446577649 -0.446566564 -0.000011084 3: 5 6 2 1 -0.626312320 -0.626312326 0.000000006 2: 1 4.800 0.002673091 -0.416186718 -0.416202730 0.000016012 2: 1 5.000 0.002092223 -0.386734472 -0.386724841 -0.000009632 2: 1 5.200 0.001621280 -0.359258071 -0.359253816 -0.000004256 2: 1 5.400 0.001243837 -0.329009264 -0.329019032 0.000009767 2: 1 5.600 0.000944766 -0.268263860 -0.268258609 -0.000005251 2: 1 5.800 0.000710460 -0.184072378 -0.184073424 0.000001045 3: 4 2 9 2 -0.561691010 -0.561691011 0.000000000 2: 1 6.000 0.000528944 -0.147193854 -0.147194457 0.000000603 2: 1 6.200 0.000389881 -0.169127143 -0.169125287 -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 -0.181015279 -0.000001093 3: 7 3 21 1 -0.491741169 -0.491741171 0.000000002 2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000749 2: 1 7.600 0.000034818 -0.165710223 -0.165709116 -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 -0.680189862 0.000000004 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 -0.053258877 0.000002780 2: 1 9.800 0.000000289 -0.047889328 -0.047892332 0.000003004 2: 1 10.000 0.000000176 -0.043050812 -0.043053583 0.000002771 2: 1 10.200 0.000000106 -0.038722914 -0.038725317 0.000002403 2: 1 10.400 0.000000063 -0.034770816 -0.034772943 0.000002127 2: 1 10.600 0.000000037 -0.031177334 -0.031179201 0.000001867 2: 1 10.800 0.000000022 -0.027908137 -0.027909791 0.000001654 2: 1 11.000 0.000000013 -0.024937534 -0.024938983 0.000001449 2: 1 11.200 0.000000007 -0.022242269 -0.022243502 0.000001233 2: 1 11.400 0.000000004 -0.019801203 -0.019802315 0.000001111 2: 1 11.600 0.000000002 -0.017594752 -0.017595952 0.000001201 2: 1 11.800 0.000000001 -0.015604553 -0.015605187 0.000000635 2: iSpin r dens Vxc dExc/dDens diff 2: 2 0.000 0.031746818 -0.915508806 2: 2 0.200 0.031588480 -0.915751674 -0.916586932 0.000835257 2: 2 0.400 0.031118189 -0.916480278 -0.916182746 -0.000297532 2: 2 0.600 0.030349878 -0.905234497 -0.905330289 0.000095792 2: 2 0.800 0.029306007 -0.899618247 -0.899603231 -0.000015015 2: 2 1.000 0.028016469 -0.884545454 -0.884543779 -0.000001675 2: 2 1.200 0.026517171 -0.871612702 -0.871612009 -0.000000694 2: 2 1.400 0.024848378 -0.853952605 -0.853955596 0.000002991 2: 2 1.600 0.023052921 -0.835057592 -0.835056081 -0.000001510 2: 2 1.800 0.021174391 -0.813963082 -0.813962299 -0.000000783 2: 2 2.000 0.019255418 -0.791103995 -0.791104831 0.000000836 2: 2 2.200 0.017336125 -0.766590785 -0.766590755 -0.000000030 2: 2 2.400 0.015452834 -0.740674175 -0.740673949 -0.000000226 2: 2 2.600 0.013637077 -0.713633471 -0.713633825 0.000000354 2: 2 2.800 0.011914930 -0.685564496 -0.685564172 -0.000000325 2: 2 3.000 0.010306678 -0.656691901 -0.656690678 -0.000001223 2: 2 3.200 0.008826792 -0.627334141 -0.627338575 0.000004434 2: 2 3.400 0.007484177 -0.597534542 -0.597529532 -0.000005011 2: 2 3.600 0.006282640 -0.567562765 -0.567563907 0.000001142 2: 2 3.800 0.005221523 -0.537678412 -0.537680209 0.000001797 2: 2 4.000 0.004296443 -0.507860006 -0.507858937 -0.000001069 2: 2 4.200 0.003500077 -0.478500307 -0.478499492 -0.000000816 2: 2 4.400 0.002822947 -0.449602251 -0.449606558 0.000004307 2: 2 4.600 0.002254159 -0.421308745 -0.421297661 -0.000011084 2: 2 4.800 0.001782061 -0.394081537 -0.394097552 0.000016015 2: 2 5.000 0.001394815 -0.368503162 -0.368493535 -0.000009628 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 -0.176118833 -0.000001092 2: 2 7.400 0.000033779 -0.169045503 -0.169046255 0.000000752 2: 2 7.600 0.000023212 -0.161554180 -0.161553078 -0.000001102 2: 2 7.800 0.000015792 -0.151793526 -0.151794848 0.000001322 2: 2 8.000 0.000010636 -0.138751509 -0.138752581 0.000001072 2: 2 8.200 0.000007092 -0.123406831 -0.123402998 -0.000003833 2: 2 8.400 0.000004681 -0.107833248 -0.107835424 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 -0.057800206 0.000003817 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 -0.041862068 0.000002552 2: 2 10.200 0.000000071 -0.037586671 -0.037588902 0.000002232 2: 2 10.400 0.000000042 -0.033684342 -0.033686314 0.000001972 2: 2 10.600 0.000000025 -0.030139120 -0.030140863 0.000001743 2: 2 10.800 0.000000015 -0.026918806 -0.026920319 0.000001513 2: 2 11.000 0.000000008 -0.023998661 -0.023999993 0.000001332 2: 2 11.200 0.000000005 -0.021355613 -0.021356863 0.000001250 2: 2 11.400 0.000000003 -0.018968230 -0.018969175 0.000000945 2: 2 11.600 0.000000002 -0.016816386 -0.016817193 0.000000807 2: avgDiffVxc, maxDiffVxc = 0.000088785 0.000835257 7/9 Test #2: libgridxc_test2 .................. Passed 22.45 sec 4: 4: funcs= VDW 4: auths= BH 4: dr, dx, Ecut = 0.024000 0.408248 59.217626 4: rMax, rBuff = 12.000000 3.000000 4: atomEx, cellEx, diff = -4.299743248 -4.299745396 0.000002148 4: atomEc, cellEc, diff = -0.679499275 -0.679753307 0.000254032 4: atomDx, cellDx, diff = 1.349799036 1.349797201 0.000001835 4: atomDc, cellDc, diff = 0.155982425 0.155866069 0.000116356 4: avgDiffVxc, maxDiffVxc = 0.000006162 0.038047291 8/9 Test #4: libgridxc_test4 .................. Passed 22.94 sec 3: xc stress * volume = 3: -4.405894836 -0.011039400 0.003122993 3: -0.011039400 -4.442866097 0.004079677 3: 0.003122993 0.004079677 -4.466819185 3: dExc/dStrain = 3: -4.405917144 -0.011032696 0.003063851 3: -0.011032696 -4.442868111 0.004097451 3: 0.003063851 0.004097451 -4.466975974 3: diff = 3: 0.000022309 -0.000006705 0.000059142 3: -0.000006705 0.000002015 -0.000017774 3: 0.000059142 -0.000017774 0.000156789 9/9 Test #3: libgridxc_test3 .................. Passed 30.95 sec 100% tests passed, 0 tests failed out of 9 Total Test time (real) = 30.95 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=cmake dh_prep -O--buildsystem=cmake dh_auto_install --destdir=debian/libgridxc-dev/ -O--buildsystem=cmake cd obj-i686-linux-gnu && make -j11 install DESTDIR=/build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.1.0 -B/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles/libgridxc-lib.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make[3]: Nothing to be done for 'CMakeFiles/libgridxc-lib.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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 -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/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-2.1.0/obj-i686-linux-gnu' [ 68%] Built target libgridxc-test_libxc [ 72%] Built target libgridxc-test4 [ 82%] Built target libgridxc-test3 [ 82%] Built target libgridxc-test_libxc2 [ 86%] Built target libgridxc-test6 [ 90%] Built target libgridxc-test1 [ 92%] Built target libgridxc-test2 [ 96%] Built target libgridxc-test_match [100%] Built target libgridxc-test_hse06 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall make[2]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[2]: Nothing to be done for 'preinstall'. make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "RelWithDebInfo" -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-config.cmake -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-config-version.cmake -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/i386-linux-gnu/pkgconfig/libgridxc.pc -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/i386-linux-gnu/libgridxc.a -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-targets.cmake -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-targets-relwithdebinfo.cmake -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0 -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_sp.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fftr.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vdwxc.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sorting.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_minvec.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xwpbe.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_walltime.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_chkgmx.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_lda.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_array.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft3d.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_hybrids.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/share/licenses/libgridxc/COPYING make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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_2.1.0-2_i386.deb'. dpkg-genbuildinfo --build=binary -O../libgridxc_2.1.0-2_i386.buildinfo dpkg-genchanges --build=binary -O../libgridxc_2.1.0-2_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: not including original 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/29650 and its subdirectories I: Current time: Mon Mar 31 20:38:27 -12 2025 I: pbuilder-time-stamp: 1743496707 Tue Apr 1 08:38:28 UTC 2025 I: 1st build successful. Starting 2nd build on remote node ionos16-i386.debian.net. Tue Apr 1 08:38:28 UTC 2025 I: Preparing to do remote build '2' on ionos16-i386.debian.net. Tue Apr 1 08:39:34 UTC 2025 I: Deleting $TMPDIR on ionos16-i386.debian.net. Tue Apr 1 08:39:34 UTC 2025 I: libgridxc_2.1.0-2_i386.changes: Format: 1.8 Date: Sun, 30 Mar 2025 13:54:54 +0200 Source: libgridxc Binary: libgridxc-dev Architecture: i386 Version: 2.1.0-2 Distribution: unstable Urgency: medium Maintainer: Debichem Team Changed-By: Michael Banck Description: libgridxc-dev - Library to compute exchange/correlation energies (development fil Changes: libgridxc (2.1.0-2) unstable; urgency=medium . * debian/patches/fix_fortran_flags.patch: New patch, removed -march=native from Fortran flags. Checksums-Sha1: 07600c0e964e1becfbcc5f78044cb212b87b821f 297556 libgridxc-dev_2.1.0-2_i386.deb b157969ad243404bcd04b0ff599f06114a9f8450 5861 libgridxc_2.1.0-2_i386.buildinfo Checksums-Sha256: a1ac89dd5d9d59aad746a36fd7541a68905ed286425e8b5ce6d495838b6a77d5 297556 libgridxc-dev_2.1.0-2_i386.deb c577a5dd777d5aebe66051f7632c80df84a4c4321a1a7ff83175cb2ba2a99d32 5861 libgridxc_2.1.0-2_i386.buildinfo Files: f73319d9cda6a85542d0d90435b34982 297556 libdevel optional libgridxc-dev_2.1.0-2_i386.deb 6e4d6649bdc25e8166ad13c38d1911a3 5861 libdevel optional libgridxc_2.1.0-2_i386.buildinfo Tue Apr 1 08:39:36 UTC 2025 I: diffoscope 291 will be used to compare the two builds: Running as unit: rb-diffoscope-i386_7-63148.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.QkwNF2S8/libgridxc_2.1.0-2.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.QkwNF2S8/libgridxc_2.1.0-2.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.QkwNF2S8/libgridxc_2.1.0-2.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.QkwNF2S8/b1/libgridxc_2.1.0-2_i386.changes /srv/reproducible-results/rbuild-debian/r-b-build.QkwNF2S8/b2/libgridxc_2.1.0-2_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 diffoscope.comparators.binary.FilesystemFile ## main (total time: 0.003s) 0.003s 2 calls outputs 0.000s 1 call cleanup Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 227ms CPU time consumed: 228ms Tue Apr 1 08:39:36 UTC 2025 I: diffoscope 291 found no differences in the changes files, and a .buildinfo file also exists. Tue Apr 1 08:39:36 UTC 2025 I: libgridxc from unstable built successfully and reproducibly on i386. Tue Apr 1 08:39:37 UTC 2025 I: Submitting .buildinfo files to external archives: Tue Apr 1 08:39:37 UTC 2025 I: Submitting 8.0K b1/libgridxc_2.1.0-2_i386.buildinfo.asc Tue Apr 1 08:39:38 UTC 2025 I: Submitting 8.0K b2/libgridxc_2.1.0-2_i386.buildinfo.asc Tue Apr 1 08:39:39 UTC 2025 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Tue Apr 1 08:39:39 UTC 2025 I: Done submitting .buildinfo files. Tue Apr 1 08:39:39 UTC 2025 I: Removing signed libgridxc_2.1.0-2_i386.buildinfo.asc files: removed './b1/libgridxc_2.1.0-2_i386.buildinfo.asc' removed './b2/libgridxc_2.1.0-2_i386.buildinfo.asc'