chemps2 →
1.6-1+b1 →
armhf → 2015-10-05 13:03:20
sbuild (Debian sbuild) 0.65.2 (24 Mar 2015) on bm-wb-03
╔══════════════════════════════════════════════════════════════════════════════╗
║ chemps2 1.6-1+b1 (armhf) 05 Oct 2015 12:35 ║
╚══════════════════════════════════════════════════════════════════════════════╝
Package: chemps2
Version: 1.6-1+b1
Source Version: 1.6-1
Distribution: stretch-staging
Machine Architecture: armhf
Host Architecture: armhf
Build Architecture: armhf
I: NOTICE: Log filtering will replace 'build/chemps2-_2Zmlt/chemps2-1.6' with '«PKGBUILDDIR»'
I: NOTICE: Log filtering will replace 'build/chemps2-_2Zmlt' with '«BUILDDIR»'
I: NOTICE: Log filtering will replace 'var/lib/schroot/mount/stretch-staging-armhf-sbuild-df9d3650-f735-437c-ad36-b7d18e935b41' with '«CHROOT»'
┌──────────────────────────────────────────────────────────────────────────────┐
│ Update chroot │
└──────────────────────────────────────────────────────────────────────────────┘
Get:1 http://172.17.0.1 stretch-staging InRelease [11.3 kB]
Get:2 http://172.17.0.1 stretch-staging/main Sources [8346 kB]
Get:3 http://172.17.0.1 stretch-staging/main armhf Packages [10.2 MB]
Ign http://172.17.0.1 stretch-staging/main Translation-en
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Reading package lists...
┌──────────────────────────────────────────────────────────────────────────────┐
│ Fetch source files │
└──────────────────────────────────────────────────────────────────────────────┘
Check APT
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Checking available source versions...
Download source files with APT
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Reading package lists...
Building dependency tree...
Reading state information...
NOTICE: 'chemps2' packaging is maintained in the 'Git' version control system at:
git://anonscm.debian.org/debichem/packages/chemps2.git
Need to get 729 kB of source archives.
Get:1 http://172.17.0.1/private/ stretch-staging/main chemps2 1.6-1 (dsc) [2424 B]
Get:2 http://172.17.0.1/private/ stretch-staging/main chemps2 1.6-1 (tar) [716 kB]
Get:3 http://172.17.0.1/private/ stretch-staging/main chemps2 1.6-1 (diff) [11.1 kB]
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Download complete and in download only mode
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Merged Build-Depends: build-essential, fakeroot
Filtered Build-Depends: build-essential, fakeroot
dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/«BUILDDIR»/resolver-OQ3UQU/apt_archive/sbuild-build-depends-core-dummy.deb'.
OK
Ign file: ./ InRelease
Get:1 file: ./ Release.gpg [299 B]
Get:2 file: ./ Release [2119 B]
Ign file: ./ Translation-en
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┌──────────────────────────────────────────────────────────────────────────────┐
│ Install core build dependencies (apt-based resolver) │
└──────────────────────────────────────────────────────────────────────────────┘
Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following NEW packages will be installed:
sbuild-build-depends-core-dummy
debconf: delaying package configuration, since apt-utils is not installed
0 upgraded, 1 newly installed, 0 to remove and 42 not upgraded.
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(Reading database ... 12972 files and directories currently installed.)
Preparing to unpack .../sbuild-build-depends-core-dummy.deb ...
Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ...
Setting up sbuild-build-depends-core-dummy (0.invalid.0) ...
Merged Build-Depends: libc6-dev | libc-dev, gcc (>= 4:4.9.1), g++ (>= 4:4.9.1), make, dpkg-dev (>= 1.17.11), debhelper (>= 9), cmake (>= 2.8.11), libatlas-base-dev, libgsl0-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore
Filtered Build-Depends: libc6-dev, gcc (>= 4:4.9.1), g++ (>= 4:4.9.1), make, dpkg-dev (>= 1.17.11), debhelper (>= 9), cmake (>= 2.8.11), libatlas-base-dev, libgsl0-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore
dpkg-deb: building package 'sbuild-build-depends-chemps2-dummy' in '/«BUILDDIR»/resolver-dFnRlN/apt_archive/sbuild-build-depends-chemps2-dummy.deb'.
OK
Ign file: ./ InRelease
Get:1 file: ./ Release.gpg [299 B]
Get:2 file: ./ Release [2119 B]
Ign file: ./ Translation-en
Reading package lists...
Reading package lists...
┌──────────────────────────────────────────────────────────────────────────────┐
│ Install chemps2 build dependencies (apt-based resolver) │
└──────────────────────────────────────────────────────────────────────────────┘
Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following extra packages will be installed:
bsdmainutils cmake cmake-data cpp-5 cython debhelper dh-python
docutils-common file fonts-font-awesome fonts-lato fonts-mathjax g++-5 gcc-5
gcc-5-base gettext gettext-base groff-base hdf5-helpers intltool-debian
libarchive13 libasan2 libatlas-base-dev libatlas-dev libatlas3-base
libatomic1 libblas-common libblas-dev libblas3 libcc1-0 libcroco3 libcurl3
libexpat1 libexpat1-dev libffi6 libgcc-5-dev libgcc1 libgfortran3
libglib2.0-0 libgnutls-deb0-28 libgomp1 libgsl0-dev libgsl0ldbl
libgssapi-krb5-2 libhdf5-10 libhdf5-cpp-10 libhdf5-dev libhogweed4 libicu55
libidn11 libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev libjs-jquery
libjs-mathjax libjs-modernizr libjs-sphinxdoc libjs-underscore libjsoncpp0v5
libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 libldap-2.4-2 liblzo2-2
libmagic1 libmpdec2 libnettle6 libp11-kit0 libpipeline1 libpython-dev
libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal
libpython2.7-stdlib libpython3-stdlib libpython3.4-minimal
libpython3.4-stdlib librtmp1 libsasl2-2 libsasl2-modules-db libsqlite3-0
libssh2-1 libssl1.0.0 libstdc++-5-dev libstdc++6 libtasn1-6 libubsan0
libunistring0 libxml2 man-db mime-support po-debconf python python-alabaster
python-all python-babel python-babel-localedata python-docutils
python-jinja2 python-markupsafe python-minimal python-numpy
python-pkg-resources python-pygments python-roman python-setuptools
python-six python-sphinx python-sphinx-rtd-theme python-tz python2.7
python2.7-minimal python3 python3-minimal python3.4 python3.4-minimal
sgml-base sphinx-common sphinx-rtd-theme-common xml-core zlib1g-dev
Suggested packages:
wamerican wordlist whois vacation codeblocks eclipse ninja-build
gcc-5-locales cython-doc dh-make gcc-5-doc libstdc++6-5-dbg libgcc1-dbg
libgomp1-dbg libitm1-dbg libatomic1-dbg libasan2-dbg liblsan0-dbg
libtsan0-dbg libubsan0-dbg libcilkrts5-dbg libmpx0-dbg libquadmath-dbg
gettext-doc autopoint libasprintf-dev libgettextpo-dev groff lrzip
libblas-doc liblapack-doc liblapack-dev liblapack3 gnutls-bin gsl-ref-psdoc
gsl-doc-pdf gsl-doc-info gsl-ref-html krb5-doc krb5-user libhdf5-doc
fonts-mathjax-extras fonts-stix libjs-mathjax-doc libstdc++-5-doc less
www-browser libmail-box-perl python-doc python-tk texlive-latex-recommended
texlive-latex-base texlive-lang-french fonts-linuxlibertine
ttf-linux-libertine python-jinja2-doc gfortran python-nose python-numpy-dbg
python-numpy-doc ttf-bitstream-vera python-setuptools-doc dvipng
texlive-latex-extra texlive-fonts-recommended python2.7-doc binfmt-support
python3-doc python3-tk python3-venv python3.4-venv python3.4-doc
sgml-base-doc
Recommended packages:
python-dev curl wget lynx-cur ca-certificates libglib2.0-data
shared-mime-info xdg-user-dirs javascript-common krb5-locales
libsasl2-modules libmail-sendmail-perl python-pil libpaper-utils
docutils-doc python-chardet sphinx-doc
The following NEW packages will be installed:
bsdmainutils cmake cmake-data cython debhelper dh-python docutils-common
file fonts-font-awesome fonts-lato fonts-mathjax gettext gettext-base
groff-base hdf5-helpers intltool-debian libarchive13 libatlas-base-dev
libatlas-dev libatlas3-base libblas-common libblas-dev libblas3 libcroco3
libcurl3 libexpat1 libexpat1-dev libffi6 libgfortran3 libglib2.0-0
libgnutls-deb0-28 libgsl0-dev libgsl0ldbl libgssapi-krb5-2 libhdf5-10
libhdf5-cpp-10 libhdf5-dev libhogweed4 libicu55 libidn11 libjpeg-dev
libjpeg62-turbo libjpeg62-turbo-dev libjs-jquery libjs-mathjax
libjs-modernizr libjs-sphinxdoc libjs-underscore libjsoncpp0v5 libk5crypto3
libkeyutils1 libkrb5-3 libkrb5support0 libldap-2.4-2 liblzo2-2 libmagic1
libmpdec2 libnettle6 libp11-kit0 libpipeline1 libpython-dev libpython-stdlib
libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib
libpython3-stdlib libpython3.4-minimal libpython3.4-stdlib librtmp1
libsasl2-2 libsasl2-modules-db libsqlite3-0 libssh2-1 libssl1.0.0 libtasn1-6
libunistring0 libxml2 man-db mime-support po-debconf python python-alabaster
python-all python-babel python-babel-localedata python-docutils
python-jinja2 python-markupsafe python-minimal python-numpy
python-pkg-resources python-pygments python-roman python-setuptools
python-six python-sphinx python-sphinx-rtd-theme python-tz python2.7
python2.7-minimal python3 python3-minimal python3.4 python3.4-minimal
sbuild-build-depends-chemps2-dummy sgml-base sphinx-common
sphinx-rtd-theme-common xml-core zlib1g-dev
The following packages will be upgraded:
cpp-5 g++-5 gcc-5 gcc-5-base libasan2 libatomic1 libcc1-0 libgcc-5-dev
libgcc1 libgomp1 libstdc++-5-dev libstdc++6 libubsan0
13 upgraded, 111 newly installed, 0 to remove and 29 not upgraded.
Need to get 171 MB/171 MB of archives.
After this operation, 325 MB of additional disk space will be used.
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Get:4 http://172.17.0.1/private/ stretch-staging/main libubsan0 armhf 5.2.1-17+rpi1 [84.3 kB]
Get:5 http://172.17.0.1/private/ stretch-staging/main cpp-5 armhf 5.2.1-17+rpi1 [23.1 MB]
Get:6 http://172.17.0.1/private/ stretch-staging/main libcc1-0 armhf 5.2.1-17+rpi1 [24.8 kB]
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Get:15 http://172.17.0.1/private/ stretch-staging/main bsdmainutils armhf 9.0.6 [177 kB]
Get:16 http://172.17.0.1/private/ stretch-staging/main libpipeline1 armhf 1.4.1-1 [23.9 kB]
Get:17 http://172.17.0.1/private/ stretch-staging/main man-db armhf 2.7.3-1 [975 kB]
Get:18 http://172.17.0.1/private/ stretch-staging/main libpython2.7-minimal armhf 2.7.10-4 [379 kB]
Get:19 http://172.17.0.1/private/ stretch-staging/main python2.7-minimal armhf 2.7.10-4 [1092 kB]
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Get:21 http://172.17.0.1/private/ stretch-staging/main mime-support all 3.59 [36.4 kB]
Get:22 http://172.17.0.1/private/ stretch-staging/main libexpat1 armhf 2.1.0-7 [59.8 kB]
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Get:24 http://172.17.0.1/private/ stretch-staging/main libsqlite3-0 armhf 3.8.11.1-1 [391 kB]
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Get:26 http://172.17.0.1/private/ stretch-staging/main libpython2.7-stdlib armhf 2.7.10-4 [1736 kB]
Get:27 http://172.17.0.1/private/ stretch-staging/main python2.7 armhf 2.7.10-4 [258 kB]
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Get:29 http://172.17.0.1/private/ stretch-staging/main python armhf 2.7.9-1 [151 kB]
Get:30 http://172.17.0.1/private/ stretch-staging/main cmake-data all 3.3.2-1 [1082 kB]
Get:31 http://172.17.0.1/private/ stretch-staging/main liblzo2-2 armhf 2.08-1.2 [47.6 kB]
Get:32 http://172.17.0.1/private/ stretch-staging/main libnettle6 armhf 3.1.1-4 [200 kB]
Get:33 http://172.17.0.1/private/ stretch-staging/main libicu55 armhf 55.1-5 [7378 kB]
Get:34 http://172.17.0.1/private/ stretch-staging/main libxml2 armhf 2.9.2+zdfsg1-4 [797 kB]
Get:35 http://172.17.0.1/private/ stretch-staging/main libarchive13 armhf 3.1.2-11+b1 [230 kB]
Get:36 http://172.17.0.1/private/ stretch-staging/main libkeyutils1 armhf 1.5.9-7 [11.5 kB]
Get:37 http://172.17.0.1/private/ stretch-staging/main libkrb5support0 armhf 1.13.2+dfsg-2 [55.9 kB]
Get:38 http://172.17.0.1/private/ stretch-staging/main libk5crypto3 armhf 1.13.2+dfsg-2 [109 kB]
Get:39 http://172.17.0.1/private/ stretch-staging/main libkrb5-3 armhf 1.13.2+dfsg-2 [260 kB]
Get:40 http://172.17.0.1/private/ stretch-staging/main libgssapi-krb5-2 armhf 1.13.2+dfsg-2 [130 kB]
Get:41 http://172.17.0.1/private/ stretch-staging/main libidn11 armhf 1.32-3 [110 kB]
Get:42 http://172.17.0.1/private/ stretch-staging/main libhogweed4 armhf 3.1.1-4 [126 kB]
Get:43 http://172.17.0.1/private/ stretch-staging/main libp11-kit0 armhf 0.23.1-3 [94.2 kB]
Get:44 http://172.17.0.1/private/ stretch-staging/main libtasn1-6 armhf 4.7-2 [44.3 kB]
Get:45 http://172.17.0.1/private/ stretch-staging/main libgnutls-deb0-28 armhf 3.3.17-1 [646 kB]
Get:46 http://172.17.0.1/private/ stretch-staging/main libsasl2-modules-db armhf 2.1.26.dfsg1-14 [65.5 kB]
Get:47 http://172.17.0.1/private/ stretch-staging/main libsasl2-2 armhf 2.1.26.dfsg1-14 [96.8 kB]
Get:48 http://172.17.0.1/private/ stretch-staging/main libldap-2.4-2 armhf 2.4.42+dfsg-2+rpi1 [197 kB]
Get:49 http://172.17.0.1/private/ stretch-staging/main librtmp1 armhf 2.4+20150115.gita107cef-1+b1 [54.5 kB]
Get:50 http://172.17.0.1/private/ stretch-staging/main libssh2-1 armhf 1.5.0-2 [122 kB]
Get:51 http://172.17.0.1/private/ stretch-staging/main libcurl3 armhf 7.44.0-2 [238 kB]
Get:52 http://172.17.0.1/private/ stretch-staging/main libjsoncpp0v5 armhf 0.10.5-1 [66.2 kB]
Get:53 http://172.17.0.1/private/ stretch-staging/main cmake armhf 3.3.2-1 [2128 kB]
Get:54 http://172.17.0.1/private/ stretch-staging/main fonts-lato all 2.0-1 [2684 kB]
Get:55 http://172.17.0.1/private/ stretch-staging/main libglib2.0-0 armhf 2.46.0-2 [2376 kB]
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Get:58 http://172.17.0.1/private/ stretch-staging/main libmpdec2 armhf 2.4.1-1 [65.8 kB]
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Get:68 http://172.17.0.1/private/ stretch-staging/main sgml-base all 1.26+nmu4 [14.6 kB]
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Get:70 http://172.17.0.1/private/ stretch-staging/main file armhf 1:5.25-2 [61.2 kB]
Get:71 http://172.17.0.1/private/ stretch-staging/main gettext-base armhf 0.19.6-1 [119 kB]
Get:72 http://172.17.0.1/private/ stretch-staging/main libpython2.7 armhf 2.7.10-4 [907 kB]
Get:73 http://172.17.0.1/private/ stretch-staging/main cython armhf 0.23.2+git16-ga8fbae1-1 [1444 kB]
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Get:75 http://172.17.0.1/private/ stretch-staging/main intltool-debian all 0.35.0+20060710.4 [26.3 kB]
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Get:114 http://172.17.0.1/private/ stretch-staging/main python-numpy armhf 1:1.8.2-2 [1498 kB]
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Get:119 http://172.17.0.1/private/ stretch-staging/main sphinx-rtd-theme-common all 0.1.9-1 [210 kB]
Get:120 http://172.17.0.1/private/ stretch-staging/main python-sphinx-rtd-theme all 0.1.9-1 [14.6 kB]
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┌──────────────────────────────────────────────────────────────────────────────┐
│ Build environment │
└──────────────────────────────────────────────────────────────────────────────┘
Kernel: Linux 3.19.0-trunk-armmp armhf (armv7l)
Toolchain package versions: binutils_2.25.1-1 dpkg-dev_1.18.2 g++-4.9_4.9.3-4 g++-5_5.2.1-17+rpi1 gcc-4.9_4.9.3-4 gcc-5_5.2.1-17+rpi1 libc6-dev_2.19-19 libstdc++-4.9-dev_4.9.3-4 libstdc++-5-dev_5.2.1-17+rpi1 libstdc++6_5.2.1-17+rpi1 linux-libc-dev_3.16.7-ckt4-1+rpi1+b2
Package versions: acl_2.2.52-2 adduser_3.113+nmu3 apt_1.0.10.2 base-files_9.4+rpi1 base-passwd_3.5.38 bash_4.3-14 binutils_2.25.1-1 bsdmainutils_9.0.6 bsdutils_1:2.26.2-9 build-essential_11.7 bzip2_1.0.6-8 cmake_3.3.2-1 cmake-data_3.3.2-1 coreutils_8.23-4 cpio_2.11+dfsg-4.1 cpp_4:5.2.1-4+rpi2 cpp-4.9_4.9.3-4 cpp-5_5.2.1-17+rpi1 cython_0.23.2+git16-ga8fbae1-1 dash_0.5.7-4 debconf_1.5.57 debfoster_2.7-2 debhelper_9.20150811 debianutils_4.5.1 dh-python_2.20150826 diffutils_1:3.3-1 dmsetup_2:1.02.104-1 docutils-common_0.12+dfsg-1 dpkg_1.18.2 dpkg-dev_1.18.2 e2fslibs_1.42.13-1 e2fsprogs_1.42.13-1 fakeroot_1.20.2-1 file_1:5.25-2 findutils_4.4.2-9 fonts-font-awesome_4.3.0~dfsg-2 fonts-lato_2.0-1 fonts-mathjax_2.5.3-1 g++_4:5.2.1-4+rpi2 g++-4.9_4.9.3-4 g++-5_5.2.1-17+rpi1 gcc_4:5.2.1-4+rpi2 gcc-4.6-base_4.6.4-5+rpi1 gcc-4.7-base_4.7.3-11+rpi1 gcc-4.8-base_4.8.4-4 gcc-4.9_4.9.3-4 gcc-4.9-base_4.9.3-4 gcc-5_5.2.1-17+rpi1 gcc-5-base_5.2.1-17+rpi1 gettext_0.19.6-1 gettext-base_0.19.6-1 gnupg_1.4.19-5 gpgv_1.4.19-5 grep_2.21-2 groff-base_1.22.3-1 gzip_1.6-4 hdf5-helpers_1.8.15-patch1+docs-4 hostname_3.16 init_1.23 init-system-helpers_1.23 initramfs-tools_0.120 initscripts_2.88dsf-59.2 insserv_1.14.0-5 intltool-debian_0.35.0+20060710.4 klibc-utils_2.0.4-2+rpi1 kmod_21-1 libacl1_2.2.52-2 libapparmor1_2.9.2-3 libapt-pkg4.12_1.0.9.10 libapt-pkg4.16_1.0.10.2 libarchive13_3.1.2-11+b1 libasan1_4.9.3-4 libasan2_5.2.1-17+rpi1 libatlas-base-dev_3.10.2-7+rpi1 libatlas-dev_3.10.2-7+rpi1 libatlas3-base_3.10.2-7+rpi1 libatomic1_5.2.1-17+rpi1 libattr1_1:2.4.47-2 libaudit-common_1:2.4.4-1 libaudit1_1:2.4.4-1 libblas-common_1.2.20110419-10 libblas-dev_1.2.20110419-10 libblas3_1.2.20110419-10 libblkid1_2.26.2-9 libbz2-1.0_1.0.6-8 libc-bin_2.19-19 libc-dev-bin_2.19-19 libc6_2.19-19 libc6-dev_2.19-19 libcap2_1:2.24-11 libcap2-bin_1:2.24-11 libcc1-0_5.2.1-17+rpi1 libcloog-isl4_0.18.3-1 libcomerr2_1.42.13-1 libcroco3_0.6.8-3 libcryptsetup4_2:1.6.6-5 libcurl3_7.44.0-2 libdb5.3_5.3.28-11 libdbus-1-3_1.8.20-1 libdebconfclient0_0.195 libdevmapper1.02.1_2:1.02.104-1 libdpkg-perl_1.18.2 libdrm2_2.4.64-1 libexpat1_2.1.0-7 libexpat1-dev_2.1.0-7 libfakeroot_1.20.2-1 libfdisk1_2.26.2-9 libffi6_3.2.1-3 libgc1c2_1:7.2d-6.4 libgcc-4.9-dev_4.9.3-4 libgcc-5-dev_5.2.1-17+rpi1 libgcc1_1:5.2.1-17+rpi1 libgcrypt20_1.6.3-2 libgdbm3_1.8.3-13.1 libgfortran3_5.2.1-17+rpi1 libglib2.0-0_2.46.0-2 libgmp10_2:6.0.0+dfsg-7+rpi1 libgnutls-deb0-28_3.3.17-1 libgomp1_5.2.1-17+rpi1 libgpg-error0_1.19-2 libgsl0-dev_1.16+dfsg-4 libgsl0ldbl_1.16+dfsg-4 libgssapi-krb5-2_1.13.2+dfsg-2 libhdf5-10_1.8.15-patch1+docs-4 libhdf5-cpp-10_1.8.15-patch1+docs-4 libhdf5-dev_1.8.15-patch1+docs-4 libhogweed4_3.1.1-4 libicu55_55.1-5 libidn11_1.32-3 libisl13_0.14-2 libjpeg-dev_1:1.4.1-2 libjpeg62-turbo_1:1.4.1-2 libjpeg62-turbo-dev_1:1.4.1-2 libjs-jquery_1.11.3+dfsg-4 libjs-mathjax_2.5.3-1 libjs-modernizr_2.6.2+ds1-1 libjs-sphinxdoc_1.3.1-6 libjs-underscore_1.7.0~dfsg-1 libjsoncpp0v5_0.10.5-1 libk5crypto3_1.13.2+dfsg-2 libkeyutils1_1.5.9-7 libklibc_2.0.4-2+rpi1 libkmod2_21-1 libkrb5-3_1.13.2+dfsg-2 libkrb5support0_1.13.2+dfsg-2 libldap-2.4-2_2.4.42+dfsg-2+rpi1 liblocale-gettext-perl_1.05-9 liblzma5_5.1.1alpha+20120614-2.1 liblzo2-2_2.08-1.2 libmagic1_1:5.25-2 libmount1_2.26.2-9 libmpc3_1.0.3-1 libmpdec2_2.4.1-1 libmpfr4_3.1.3-1 libncurses5_6.0+20150810-1 libncursesw5_6.0+20150810-1 libnettle6_3.1.1-4 libnih-dbus1_1.0.3-4.3 libnih1_1.0.3-4.3 libp11-kit0_0.23.1-3 libpam-modules_1.1.8-3.1 libpam-modules-bin_1.1.8-3.1 libpam-runtime_1.1.8-3.1 libpam0g_1.1.8-3.1 libpcre3_2:8.35-7.1 libpipeline1_1.4.1-1 libpng12-0_1.2.50-2+b2 libprocps3_2:3.3.9-9 libprocps4_2:3.3.10-2 libpython-dev_2.7.9-1 libpython-stdlib_2.7.9-1 libpython2.7_2.7.10-4 libpython2.7-dev_2.7.10-4 libpython2.7-minimal_2.7.10-4 libpython2.7-stdlib_2.7.10-4 libpython3-stdlib_3.4.3-6 libpython3.4-minimal_3.4.3-9 libpython3.4-stdlib_3.4.3-9 libreadline6_6.3-8+b3 librtmp1_2.4+20150115.gita107cef-1+b1 libsasl2-2_2.1.26.dfsg1-14 libsasl2-modules-db_2.1.26.dfsg1-14 libseccomp2_2.2.3-2 libselinux1_2.3-2 libsemanage-common_2.3-1 libsemanage1_2.3-1 libsepol1_2.3-2 libslang2_2.3.0-2+b1 libsmartcols1_2.26.2-9 libsqlite3-0_3.8.11.1-1 libss2_1.42.13-1 libssh2-1_1.5.0-2 libssl1.0.0_1.0.2d-1 libstdc++-4.9-dev_4.9.3-4 libstdc++-5-dev_5.2.1-17+rpi1 libstdc++6_5.2.1-17+rpi1 libsystemd0_225-1 libtasn1-6_4.7-2 libtext-charwidth-perl_0.04-7+b4 libtext-iconv-perl_1.7-5+b5 libtext-wrapi18n-perl_0.06-7.1 libtimedate-perl_2.3000-2 libtinfo5_6.0+20150810-1 libubsan0_5.2.1-17+rpi1 libudev1_225-1 libunistring0_0.9.3-5.2 libusb-0.1-4_2:0.1.12-27 libustr-1.0-1_1.0.4-5 libuuid1_2.26.2-9 libxml2_2.9.2+zdfsg1-4 linux-libc-dev_3.16.7-ckt4-1+rpi1+b2 login_1:4.2-3 lsb-base_4.1+Debian13+rpi1+nmu1 make_4.0-8.2 makedev_2.3.1-93 man-db_2.7.3-1 mawk_1.3.3-17 mime-support_3.59 mount_2.26.2-9 mountall_2.54 multiarch-support_2.19-19 nano_2.4.2-1 ncurses-base_6.0+20150810-1 ncurses-bin_6.0+20150810-1 passwd_1:4.2-3 patch_2.7.5-1 perl_5.20.2-6 perl-base_5.20.2-6 perl-modules_5.20.2-6 plymouth_0.9.0-9 po-debconf_1.0.18 procps_2:3.3.10-2 python_2.7.9-1 python-alabaster_0.7.6-1 python-all_2.7.9-1 python-babel_1.3+dfsg.1-6 python-babel-localedata_1.3+dfsg.1-6 python-docutils_0.12+dfsg-1 python-jinja2_2.8-1 python-markupsafe_0.23-2 python-minimal_2.7.9-1 python-numpy_1:1.8.2-2 python-pkg-resources_18.3.1-2 python-pygments_2.0.1+dfsg-1.1 python-roman_2.0.0-1 python-setuptools_18.3.1-2 python-six_1.9.0-5 python-sphinx_1.3.1-6 python-sphinx-rtd-theme_0.1.9-1 python-tz_2012c+dfsg-0.1 python2.7_2.7.10-4 python2.7-minimal_2.7.10-4 python3_3.4.3-6 python3-minimal_3.4.3-6 python3.4_3.4.3-9 python3.4-minimal_3.4.3-9 raspbian-archive-keyring_20120528.2 readline-common_6.3-8 sbuild-build-depends-chemps2-dummy_0.invalid.0 sbuild-build-depends-core-dummy_0.invalid.0 sed_4.2.2-6.1 sensible-utils_0.0.9 sgml-base_1.26+nmu4 sphinx-common_1.3.1-6 sphinx-rtd-theme-common_0.1.9-1 startpar_0.59-3 systemd_225-1 systemd-sysv_225-1 sysv-rc_2.88dsf-59.2 sysvinit-utils_2.88dsf-59.2 tar_1.28-1 tzdata_2015f-1 udev_225-1 util-linux_2.26.2-9 xml-core_0.13+nmu2 xz-utils_5.1.1alpha+20120614-2.1 zlib1g_1:1.2.8.dfsg-2+b1 zlib1g-dev_1:1.2.8.dfsg-2+b1
┌──────────────────────────────────────────────────────────────────────────────┐
│ Build │
└──────────────────────────────────────────────────────────────────────────────┘
Unpack source
─────────────
gpgv: keyblock resource `/sbuild-nonexistent/.gnupg/trustedkeys.gpg': file open error
gpgv: Signature made Thu Sep 3 15:35:03 2015 UTC using RSA key ID 669CE1C2
gpgv: Can't check signature: public key not found
dpkg-source: warning: failed to verify signature on ./chemps2_1.6-1.dsc
dpkg-source: info: extracting chemps2 in chemps2-1.6
dpkg-source: info: unpacking chemps2_1.6.orig.tar.gz
dpkg-source: info: unpacking chemps2_1.6-1.debian.tar.xz
Check disc space
────────────────
Sufficient free space for build
Hack binNMU version
───────────────────
Created changelog entry for binNMU version 1.6-1+b1
User Environment
────────────────
DEB_BUILD_OPTIONS=parallel=4
HOME=/sbuild-nonexistent
LOGNAME=buildd
PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games
SCHROOT_ALIAS_NAME=stretch-staging-armhf-sbuild
SCHROOT_CHROOT_NAME=stretch-staging-armhf-sbuild
SCHROOT_COMMAND=env
SCHROOT_GID=109
SCHROOT_GROUP=buildd
SCHROOT_SESSION_ID=stretch-staging-armhf-sbuild-df9d3650-f735-437c-ad36-b7d18e935b41
SCHROOT_UID=104
SCHROOT_USER=buildd
SHELL=/bin/sh
TERM=linux
USER=buildd
dpkg-buildpackage
─────────────────
dpkg-buildpackage: source package chemps2
dpkg-buildpackage: source version 1.6-1+b1
dpkg-buildpackage: source distribution stretch-staging
dpkg-source --before-build chemps2-1.6
dpkg-buildpackage: host architecture armhf
fakeroot debian/rules clean
dh clean --with python2
dh_testdir
dh_auto_clean
debian/rules override_dh_clean
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_clean
rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc
make[1]: Leaving directory '/«PKGBUILDDIR»'
debian/rules build-arch
dh build-arch --with python2
dh_testdir -a
debian/rules override_dh_auto_configure
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_auto_configure -- -DCMAKE_INSTALL_LIBDIR=lib/arm-linux-gnueabihf \
-DENABLE_XHOST=OFF \
-DBUILD_SPHINX=ON \
-DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial
cmake .. -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_LIBDIR=lib/arm-linux-gnueabihf -DENABLE_XHOST=OFF -DBUILD_SPHINX=ON -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial
-- The C compiler identification is GNU 5.2.1
-- The CXX compiler identification is GNU 5.2.1
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/c++
-- Check for working CXX compiler: /usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Try OpenMP C flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
-- Try OpenMP CXX flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
-- Found OpenMP: -fopenmp
-- Performing Test HAS_IPO
-- Performing Test HAS_IPO - Failed
-- Performing Test HAS_FLTO
-- Performing Test HAS_FLTO - Success
-- Looking for dgemm_
-- Looking for dgemm_ - found
-- Looking for include file pthread.h
-- Looking for include file pthread.h - found
-- Looking for pthread_create
-- Looking for pthread_create - found
-- Found Threads: TRUE
-- A library with BLAS API found.
-- Looking for cheev_
-- Looking for cheev_ - found
-- A library with LAPACK API found.
-- Found HDF5: /usr/lib/arm-linux-gnueabihf/hdf5/serial/lib/libhdf5.so;/usr/lib/arm-linux-gnueabihf/libpthread.so;/usr/lib/arm-linux-gnueabihf/libz.so;/usr/lib/arm-linux-gnueabihf/libdl.so;/usr/lib/arm-linux-gnueabihf/libm.so (found version "1.8.15")
GSL_DEFINITIONS=
GSL_INCLUDE_DIRS=/usr/include
GSL_CFLAGS=-I/usr/include
-- Using GSL from
-- FindGSL: Found both GSL headers and library
-- Found Sphinx: /usr/bin/sphinx-build
-- Configuring done
-- Generating done
-- Build files have been written to: /«PKGBUILDDIR»/obj-arm-linux-gnueabihf
make[1]: Leaving directory '/«PKGBUILDDIR»'
debian/rules override_dh_auto_build
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_auto_build
make -j1
make[2]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[3]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-base
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o
[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o
[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o
[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o
[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o
[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o
[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o
[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o
[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o
[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o
[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o
[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o
[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o
[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o
[ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o
[ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFVmatRotations.cpp.o
[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o
[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o
[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o
[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o
[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o
[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o
[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o
[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o
[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o
[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o
[ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o
[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o
[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o
[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o
[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o
[ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o
[ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o
[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o
[ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o
[ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorA.cpp.o
[ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorB.cpp.o
[ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorC.cpp.o
[ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorD.cpp.o
[ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorDiag.cpp.o
[ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0Cbase.cpp.o
[ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o
[ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o
[ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1Dbase.cpp.o
[ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o
[ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorK.cpp.o
[ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o
[ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorM.cpp.o
[ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o
[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o
[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0Abase.cpp.o
[ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o
[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1Bbase.cpp.o
[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o
[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorSwap.cpp.o
[ 66%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o
[ 67%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o
[ 69%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o
[ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDMstorage.cpp.o
[ 71%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 71%] Built target chemps2-base
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-shared
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 72%] Linking CXX shared library libchemps2.so
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 72%] Built target chemps2-shared
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-static
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 73%] Linking CXX static library libchemps2.a
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCF.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o: plugin needed to handle lto object
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make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 73%] Built target chemps2-static
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
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# https://wiki.debian.org/Python/LibraryStyleGuide: info on sphinx-build
PYTHONPATH=. http_proxy='127.0.0.1:9' sphinx-build -N -b html \
-c obj-arm-linux-gnueabihf/sphinx/ \
-D html_theme=default \
-D mathjax_path="/usr/share/javascript/mathjax/MathJax.js" sphinx/ build-sphinx/html
Running Sphinx v1.3.1
making output directory...
loading pickled environment... not yet created
building [mo]: targets for 0 po files that are out of date
building [html]: targets for 11 source files that are out of date
updating environment: 11 added, 0 changed, 0 removed
reading sources... [ 9%] dmrgscf
reading sources... [ 18%] dmrgscfcalcs
reading sources... [ 27%] index
reading sources... [ 36%] inoutput
reading sources... [ 45%] interfaces
reading sources... [ 54%] matrixelements
reading sources... [ 63%] method
reading sources... [ 72%] publications
reading sources... [ 81%] resources
reading sources... [ 90%] sourcecode
reading sources... [100%] symmetry
looking for now-outdated files... none found
pickling environment... done
checking consistency... done
preparing documents... done
writing output... [ 9%] dmrgscf
writing output... [ 18%] dmrgscfcalcs
writing output... [ 27%] index
writing output... [ 36%] inoutput
writing output... [ 45%] interfaces
writing output... [ 54%] matrixelements
writing output... [ 63%] method
writing output... [ 72%] publications
writing output... [ 81%] resources
writing output... [ 90%] sourcecode
writing output... [100%] symmetry
generating indices... genindex
writing additional pages... search
copying images... [ 33%] ComparisonN2.png
copying images... [ 66%] Comparison.png
copying images... [100%] ExtrapolationN2reorder.png
copying static files... done
copying extra files... done
dumping search index in English (code: en) ... done
dumping object inventory... done
build succeeded.
# I know it's ugly, but sphinx splits strings at equality signs: http://svn.python.org/projects/doctools/trunk/sphinx/cmdline.py
cd build-sphinx/html && sed -i "s/MathJax.js/MathJax.js?config=TeX-AMS-MML_HTMLorMML/" *.html
# Solving the complaints from lintian about jquery.js & underscore.js
cd build-sphinx/html && sed -i "s/_static\/jquery.js/\/usr\/share\/javascript\/jquery\/jquery.js/" *.html
cd build-sphinx/html && sed -i "s/_static\/underscore.js/\/usr\/share\/javascript\/underscore\/underscore.js/" *.html
cd build-sphinx/html/_static && rm jquery*.js underscore*.js
cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py build_ext -L ../obj-arm-linux-gnueabihf/CheMPS2
running build_ext
cythoning PyCheMPS2.pyx to PyCheMPS2.cpp
building 'PyCheMPS2' extension
creating build
creating build/temp.linux-armv7l-2.7
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fstack-protector-strong -Wformat -Werror=format-security -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python2.7/dist-packages/numpy/core/include -I/usr/include/python2.7 -c PyCheMPS2.cpp -o build/temp.linux-armv7l-2.7/PyCheMPS2.o
cc1plus: warning: command line option '-Wstrict-prototypes' is valid for C/ObjC but not for C++
In file included from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1761:0,
from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarrayobject.h:17,
from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/arrayobject.h:4,
from PyCheMPS2.cpp:251:
/usr/lib/python2.7/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: #warning "Using deprecated NumPy API, disable it by " "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
#warning "Using deprecated NumPy API, disable it by " \
^
In file included from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ufuncobject.h:327:0,
from PyCheMPS2.cpp:252:
/usr/lib/python2.7/dist-packages/numpy/core/include/numpy/__ufunc_api.h:241:1: warning: 'int _import_umath()' defined but not used [-Wunused-function]
_import_umath(void)
^
creating build/lib.linux-armv7l-2.7
c++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -D_FORTIFY_SOURCE=2 -g -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -g -O2 -fstack-protector-strong -Wformat -Werror=format-security -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-2.7/PyCheMPS2.o -L../obj-arm-linux-gnueabihf/CheMPS2 -lchemps2 -o build/lib.linux-armv7l-2.7/PyCheMPS2.so
make[1]: Leaving directory '/«PKGBUILDDIR»'
debian/rules override_dh_auto_test
make[1]: Entering directory '/«PKGBUILDDIR»'
cd obj-arm-linux-gnueabihf/ && ctest -R "^test3|^test5|^test8"
Test project /«PKGBUILDDIR»/obj-arm-linux-gnueabihf
Start 3: test3
1/3 Test #3: test3 ............................ Passed 11.06 sec
Start 5: test5
2/3 Test #5: test5 ............................ Passed 19.77 sec
Start 8: test8
3/3 Test #8: test8 ............................ Passed 12.66 sec
100% tests passed, 0 tests failed out of 3
Total Test time (real) = 43.51 sec
cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-armv7l-2.7:.. \
LD_LIBRARY_PATH=../../obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/hdf5/serial \
python2 test1.py
FCI::Startup : Number of variables in the FCI vector = 1824
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.466944 MB memory.
FCI::HamTimesVec : Wall time = 0.05972 seconds
FCI::HamTimesVec : Wall time = 0.0591160000000001 seconds
FCI::HamTimesVec : Wall time = 0.058924 seconds
FCI::HamTimesVec : Wall time = 0.058845 seconds
FCI::HamTimesVec : Wall time = 0.058851 seconds
FCI::HamTimesVec : Wall time = 0.05886 seconds
FCI::HamTimesVec : Wall time = 0.058829 seconds
FCI::HamTimesVec : Wall time = 0.058891 seconds
FCI::HamTimesVec : Wall time = 0.058893 seconds
FCI::HamTimesVec : Wall time = 0.058946 seconds
FCI::HamTimesVec : Wall time = 0.059091 seconds
FCI::HamTimesVec : Wall time = 0.058962 seconds
FCI::HamTimesVec : Wall time = 0.05921 seconds
FCI::HamTimesVec : Wall time = 0.061115 seconds
FCI::HamTimesVec : Wall time = 0.105622 seconds
FCI::HamTimesVec : Wall time = 0.126155 seconds
FCI::GSDavidson : Converged ground state energy = -107.648250974013
FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -3.99089264682962e-19 and intended S(S+1) = 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 12
Energy at sites (8, 9) is -99.1510118623949
Stats: nIt(DAVIDSON) = 19
Energy at sites (7, 8) is -106.85228887265
Stats: nIt(DAVIDSON) = 57
Energy at sites (6, 7) is -106.880412888709
Stats: nIt(DAVIDSON) = 60
Energy at sites (5, 6) is -106.90775421131
Stats: nIt(DAVIDSON) = 44
Energy at sites (4, 5) is -107.632407907746
Stats: nIt(DAVIDSON) = 26
Energy at sites (3, 4) is -107.647978598982
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.647978598982
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.647978598982
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 6.840035 seconds
*** |--> S.join = 0.004386 seconds
*** |--> S.solve = 6.518049 seconds
*** |--> S.split = 0.012656 seconds
*** |--> Tensor update = 0.301302 seconds
*** |--> create = 0.091547 seconds
*** |--> destroy = 0.004983 seconds
*** |--> disk write = 0.080395 seconds
*** |--> disk read = 0.057122 seconds
*** |--> calc = 0.06703 seconds
*** Disk write bandwidth = 7.28851779567876 MB/s
*** Disk read bandwidth = 10.2927774020818 MB/s
*** Minimum energy = -107.647978598982
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.647978598982
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.647978598982
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.647978598982
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.647978598982
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.647993094929
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250422921
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250422921
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250422921
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.109689 seconds
*** |--> S.join = 0.006987 seconds
*** |--> S.solve = 0.764578 seconds
*** |--> S.split = 0.011213 seconds
*** |--> Tensor update = 0.323263 seconds
*** |--> create = 0.091888 seconds
*** |--> destroy = 0.004816 seconds
*** |--> disk write = 0.100533 seconds
*** |--> disk read = 0.05776 seconds
*** |--> calc = 0.068044 seconds
*** Disk write bandwidth = 5.84826903366774 MB/s
*** Disk read bandwidth = 10.1447435627353 MB/s
*** Minimum energy = -107.648250422921
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.648250422921
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.648250422921
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250422921
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250422921
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250422921
Stats: nIt(DAVIDSON) = 6
Energy at sites (4, 5) is -107.648250864856
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.648250972062
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972062
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972062
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.662413 seconds
*** |--> S.join = 0.003686 seconds
*** |--> S.solve = 0.350824 seconds
*** |--> S.split = 0.011291 seconds
*** |--> Tensor update = 0.292981 seconds
*** |--> create = 0.091458 seconds
*** |--> destroy = 0.004916 seconds
*** |--> disk write = 0.078636 seconds
*** |--> disk read = 0.057382 seconds
*** |--> calc = 0.060358 seconds
*** Disk write bandwidth = 7.45155384535828 MB/s
*** Disk read bandwidth = 10.2461404405862 MB/s
*** Minimum energy = -107.648250972062
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250972062
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972062
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972062
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250972062
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.648250972204
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.648250973994
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250973994
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250973994
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.658184 seconds
*** |--> S.join = 0.003681 seconds
*** |--> S.solve = 0.294876 seconds
*** |--> S.split = 0.013478 seconds
*** |--> Tensor update = 0.342512 seconds
*** |--> create = 0.092841 seconds
*** |--> destroy = 0.005211 seconds
*** |--> disk write = 0.0850600000000001 seconds
*** |--> disk read = 0.057121 seconds
*** |--> calc = 0.101985 seconds
*** Disk write bandwidth = 6.91210946110649 MB/s
*** Disk read bandwidth = 10.2582305664045 MB/s
*** Minimum energy = -107.648250973994
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.51072929511065e-07
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.648250973994
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250973994
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250973994
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250973994
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.648250973994
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.64825097401
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.64825097401
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.64825097401
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.493294 seconds
*** |--> S.join = 0.006332 seconds
*** |--> S.solve = 0.170677 seconds
*** |--> S.split = 0.011108 seconds
*** |--> Tensor update = 0.301507 seconds
*** |--> create = 0.092346 seconds
*** |--> destroy = 0.005745 seconds
*** |--> disk write = 0.085278 seconds
*** |--> disk read = 0.057519 seconds
*** |--> calc = 0.0603920000000001 seconds
*** Disk write bandwidth = 6.87117882904845 MB/s
*** Disk read bandwidth = 10.2217359613644 MB/s
*** Minimum energy = -107.64825097401
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.64825097401
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.64825097401
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.64825097401
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.64825097401
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.64825097401
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250974009
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.64825097401
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.64825097401
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.574272 seconds
*** |--> S.join = 0.003785 seconds
*** |--> S.solve = 0.171411 seconds
*** |--> S.split = 0.011341 seconds
*** |--> Tensor update = 0.381942 seconds
*** |--> create = 0.122705 seconds
*** |--> destroy = 0.005237 seconds
*** |--> disk write = 0.098814 seconds
*** |--> disk read = 0.06139 seconds
*** |--> calc = 0.093551 seconds
*** Disk write bandwidth = 5.95000739532575 MB/s
*** Disk read bandwidth = 9.54488333903883 MB/s
*** Minimum energy = -107.64825097401
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.59161572810262e-11
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -107.64825097401
*** Minimum energy encountered during the last sweep = -107.64825097401
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -107.64825097401 and as Econst + 0.5*trace(2DM-A*Ham) = -107.648250974009
NOON of irrep Ag = [ 1.9999953043696 , 1.99487990485202 , 1.98267947467604 ].
NOON of irrep B2g = [ 0.0748717986039371 ].
NOON of irrep B3g = [ 0.0748717815661707 ].
NOON of irrep B1u = [ 1.9999968183709 , 1.98658245940244 , 0.0188079864477028 ].
NOON of irrep B2u = [ 1.93365725383364 ].
NOON of irrep B3u = [ 1.93365721787754 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009727251871 , 0.0515867593692264 , 0.0764974299730396 , 0.257717536103018 , 0.257717513336022 , 8.4715459110807e-05 , 0.0462799748561222 , 0.100736391264077 , 0.241506654210356 , 0.241506716055597 ].
Idistance(0) = 1.30939661274097
Idistance(1) = 5.42404313238844
Idistance(2) = 26.7356143853288
**************************************
RMS difference FCI and DMRG determinant coefficients = 1.27111390476e-06
Info on DMRG::operators rm call to system: 0
FCI::Startup : Number of variables in the FCI vector = 1160
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.29696 MB memory.
FCI::HamTimesVec : Wall time = 0.137772 seconds
FCI::HamTimesVec : Wall time = 0.040286 seconds
FCI::HamTimesVec : Wall time = 0.040201 seconds
FCI::HamTimesVec : Wall time = 0.040287 seconds
FCI::HamTimesVec : Wall time = 0.040344 seconds
FCI::HamTimesVec : Wall time = 0.04043 seconds
FCI::HamTimesVec : Wall time = 0.040282 seconds
FCI::HamTimesVec : Wall time = 0.04164 seconds
FCI::HamTimesVec : Wall time = 0.040387 seconds
FCI::HamTimesVec : Wall time = 0.040326 seconds
FCI::HamTimesVec : Wall time = 0.040247 seconds
FCI::HamTimesVec : Wall time = 0.040372 seconds
FCI::HamTimesVec : Wall time = 0.040352 seconds
FCI::HamTimesVec : Wall time = 0.040363 seconds
FCI::HamTimesVec : Wall time = 0.0426 seconds
FCI::GSDavidson : Converged ground state energy = -107.328768898032
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 14
Energy at sites (8, 9) is -104.853861815211
Stats: nIt(DAVIDSON) = 55
Energy at sites (7, 8) is -106.327144264913
Stats: nIt(DAVIDSON) = 28
Energy at sites (6, 7) is -106.366887404144
Stats: nIt(DAVIDSON) = 61
Energy at sites (5, 6) is -107.31811368324
Stats: nIt(DAVIDSON) = 48
Energy at sites (4, 5) is -107.325603787346
Stats: nIt(DAVIDSON) = 22
Energy at sites (3, 4) is -107.328763112046
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.328764818181
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328764818181
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 10.151136 seconds
*** |--> S.join = 0.008137 seconds
*** |--> S.solve = 9.756 seconds
*** |--> S.split = 0.015077 seconds
*** |--> Tensor update = 0.368191 seconds
*** |--> create = 0.11677 seconds
*** |--> destroy = 0.00511 seconds
*** |--> disk write = 0.081745 seconds
*** |--> disk read = 0.059892 seconds
*** |--> calc = 0.104444 seconds
*** Disk write bandwidth = 10.3348919766213 MB/s
*** Disk read bandwidth = 14.0453112640513 MB/s
*** Minimum energy = -107.328764818181
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328764818181
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328764818181
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328764818181
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.32876482048
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.328767231784
Stats: nIt(DAVIDSON) = 7
Energy at sites (5, 6) is -107.328768891313
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768891313
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768891312
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.362384 seconds
*** |--> S.join = 0.006333 seconds
*** |--> S.solve = 0.97791 seconds
*** |--> S.split = 0.021262 seconds
*** |--> Tensor update = 0.353161 seconds
*** |--> create = 0.107131 seconds
*** |--> destroy = 0.005439 seconds
*** |--> disk write = 0.082032 seconds
*** |--> disk read = 0.058815 seconds
*** |--> calc = 0.099511 seconds
*** Disk write bandwidth = 10.2545565416735 MB/s
*** Disk read bandwidth = 14.3641204561575 MB/s
*** Minimum energy = -107.328768891313
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.328768891312
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.328768891313
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768891312
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768891313
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768891312
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.328768892099
Stats: nIt(DAVIDSON) = 3
Energy at sites (3, 4) is -107.328768897982
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.328768897996
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897996
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.808178 seconds
*** |--> S.join = 0.006228 seconds
*** |--> S.solve = 0.429096 seconds
*** |--> S.split = 0.014547 seconds
*** |--> Tensor update = 0.35466 seconds
*** |--> create = 0.10462 seconds
*** |--> destroy = 0.004998 seconds
*** |--> disk write = 0.081495 seconds
*** |--> disk read = 0.059209 seconds
*** |--> calc = 0.1041 seconds
*** Disk write bandwidth = 10.3665960442838 MB/s
*** Disk read bandwidth = 14.2073296665467 MB/s
*** Minimum energy = -107.328768897996
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768897996
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897996
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768897996
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768897996
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898022
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898022
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.688494 seconds
*** |--> S.join = 0.008907 seconds
*** |--> S.solve = 0.296836 seconds
*** |--> S.split = 0.013441 seconds
*** |--> Tensor update = 0.365665 seconds
*** |--> create = 0.10749 seconds
*** |--> destroy = 0.005144 seconds
*** |--> disk write = 0.082271 seconds
*** |--> disk read = 0.058903 seconds
*** |--> calc = 0.111623 seconds
*** Disk write bandwidth = 10.2247667127732 MB/s
*** Disk read bandwidth = 14.3426607240532 MB/s
*** Minimum energy = -107.328768898023
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 6.70999611429579e-09
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898022
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768898023
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.603271 seconds
*** |--> S.join = 0.005338 seconds
*** |--> S.solve = 0.235781 seconds
*** |--> S.split = 0.015164 seconds
*** |--> Tensor update = 0.343283 seconds
*** |--> create = 0.10469 seconds
*** |--> destroy = 0.004943 seconds
*** |--> disk write = 0.081581 seconds
*** |--> disk read = 0.059004 seconds
*** |--> calc = 0.09283 seconds
*** Disk write bandwidth = 10.3556679205808 MB/s
*** Disk read bandwidth = 14.2566907705675 MB/s
*** Minimum energy = -107.328768898023
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768898023
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898022
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898022
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.644905 seconds
*** |--> S.join = 0.004447 seconds
*** |--> S.solve = 0.244086 seconds
*** |--> S.split = 0.013426 seconds
*** |--> Tensor update = 0.379294 seconds
*** |--> create = 0.107386 seconds
*** |--> destroy = 0.005099 seconds
*** |--> disk write = 0.082117 seconds
*** |--> disk read = 0.058807 seconds
*** |--> calc = 0.125658 seconds
*** Disk write bandwidth = 10.2439419636197 MB/s
*** Disk read bandwidth = 14.3660745256331 MB/s
*** Minimum energy = -107.328768898023
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.6843418860808e-14
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -107.328768898023
*** Minimum energy encountered during the last sweep = -107.328768898023
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -107.328768898023 and as Econst + 0.5*trace(2DM-A*Ham) = -107.328768898022
NOON of irrep Ag = [ 1.99999672247123 , 1.99571459504236 , 1.98497375285716 ].
NOON of irrep B2g = [ 0.538991614720571 ].
NOON of irrep B3g = [ 0.538988231485528 ].
NOON of irrep B1u = [ 1.99999702945793 , 1.99149906841696 , 0.0194690591615581 ].
NOON of irrep B2u = [ 1.46518666632154 ].
NOON of irrep B3u = [ 1.46518326006517 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862693239162 , 0.0587090363076583 , 0.0554792903414411 , 1.11957737444502 , 1.1195752661604 , 8.52801400725912e-05 , 0.0421713034345166 , 0.105000321627602 , 1.11261901680949 , 1.11262117440687 ].
Idistance(0) = 4.60188058882462
Idistance(1) = 17.7825019323935
Idistance(2) = 85.6947853819108
**************************************
RMS difference FCI and DMRG determinant coefficients = 2.69468551924e-06
Info on DMRG::operators rm call to system: 0
FCI::Startup : Number of variables in the FCI vector = 276
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.070656 MB memory.
FCI::HamTimesVec : Wall time = 0.119851 seconds
FCI::HamTimesVec : Wall time = 0.011493 seconds
FCI::HamTimesVec : Wall time = 0.011316 seconds
FCI::HamTimesVec : Wall time = 0.011384 seconds
FCI::HamTimesVec : Wall time = 0.011353 seconds
FCI::HamTimesVec : Wall time = 0.011343 seconds
FCI::HamTimesVec : Wall time = 0.011316 seconds
FCI::HamTimesVec : Wall time = 0.011357 seconds
FCI::HamTimesVec : Wall time = 0.011316 seconds
FCI::HamTimesVec : Wall time = 0.011311 seconds
FCI::HamTimesVec : Wall time = 0.011331 seconds
FCI::GSDavidson : Converged ground state energy = -107.007920599439
FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 12
Energy at sites (8, 9) is -101.27921904863
Stats: nIt(DAVIDSON) = 20
Energy at sites (7, 8) is -105.669611034197
Stats: nIt(DAVIDSON) = 19
Energy at sites (6, 7) is -106.598262754639
Stats: nIt(DAVIDSON) = 32
Energy at sites (5, 6) is -106.994307531688
Stats: nIt(DAVIDSON) = 22
Energy at sites (4, 5) is -106.996798162781
Stats: nIt(DAVIDSON) = 22
Energy at sites (3, 4) is -106.998703830999
Stats: nIt(DAVIDSON) = 13
Energy at sites (2, 3) is -107.007586555024
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007586555024
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 2.862362 seconds
*** |--> S.join = 0.003327 seconds
*** |--> S.solve = 2.584871 seconds
*** |--> S.split = 0.007317 seconds
*** |--> Tensor update = 0.26316 seconds
*** |--> create = 0.083385 seconds
*** |--> destroy = 0.005174 seconds
*** |--> disk write = 0.07492 seconds
*** |--> disk read = 0.054666 seconds
*** |--> calc = 0.044789 seconds
*** Disk write bandwidth = 2.6066419089216 MB/s
*** Disk read bandwidth = 3.55259645470619 MB/s
*** Minimum energy = -107.007586555024
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007586555024
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007586555024
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007586555024
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.007587226777
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.007589968649
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -107.007622900297
Stats: nIt(DAVIDSON) = 9
Energy at sites (6, 7) is -107.007918705295
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007918705295
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.182415 seconds
*** |--> S.join = 0.011201 seconds
*** |--> S.solve = 0.856383 seconds
*** |--> S.split = 0.008207 seconds
*** |--> Tensor update = 0.303013 seconds
*** |--> create = 0.100525 seconds
*** |--> destroy = 0.00504 seconds
*** |--> disk write = 0.075493 seconds
*** |--> disk read = 0.071683 seconds
*** |--> calc = 0.050037 seconds
*** Disk write bandwidth = 2.57250656078006 MB/s
*** Disk read bandwidth = 2.72435042920087 MB/s
*** Minimum energy = -107.007918705295
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.007918705295
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.007918705295
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007918705295
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007918705295
Stats: nIt(DAVIDSON) = 4
Energy at sites (5, 6) is -107.007918724301
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.007918806896
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.007918986972
Stats: nIt(DAVIDSON) = 5
Energy at sites (2, 3) is -107.007920580578
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920580578
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.75928 seconds
*** |--> S.join = 0.010407 seconds
*** |--> S.solve = 0.419598 seconds
*** |--> S.split = 0.014872 seconds
*** |--> Tensor update = 0.311167 seconds
*** |--> create = 0.083782 seconds
*** |--> destroy = 0.005771 seconds
*** |--> disk write = 0.075804 seconds
*** |--> disk read = 0.056615 seconds
*** |--> calc = 0.08895 seconds
*** Disk write bandwidth = 2.57624415355926 MB/s
*** Disk read bandwidth = 3.43029652553155 MB/s
*** Minimum energy = -107.007920580578
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920580579
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920580578
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920580578
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.0079205811
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.00792058133
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.007920599183
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599183
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599183
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.486322 seconds
*** |--> S.join = 0.003434 seconds
*** |--> S.solve = 0.204717 seconds
*** |--> S.split = 0.00727 seconds
*** |--> Tensor update = 0.267335 seconds
*** |--> create = 0.085171 seconds
*** |--> destroy = 0.004914 seconds
*** |--> disk write = 0.07498 seconds
*** |--> disk read = 0.054074 seconds
*** |--> calc = 0.047972 seconds
*** Disk write bandwidth = 2.59010719915936 MB/s
*** Disk read bandwidth = 3.61152516581733 MB/s
*** Minimum energy = -107.007920599183
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.89388816806968e-06
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.007920599183
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599183
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599183
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920599183
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.007920599183
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.007920599183
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599428
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.433592 seconds
*** |--> S.join = 0.007408 seconds
*** |--> S.solve = 0.14949 seconds
*** |--> S.split = 0.011283 seconds
*** |--> Tensor update = 0.261752 seconds
*** |--> create = 0.083617 seconds
*** |--> destroy = 0.004939 seconds
*** |--> disk write = 0.073973 seconds
*** |--> disk read = 0.054574 seconds
*** |--> calc = 0.044413 seconds
*** Disk write bandwidth = 2.64001205597186 MB/s
*** Disk read bandwidth = 3.55858536652928 MB/s
*** Minimum energy = -107.007920599428
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599428
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.49467 seconds
*** |--> S.join = 0.010065 seconds
*** |--> S.solve = 0.167641 seconds
*** |--> S.split = 0.028477 seconds
*** |--> Tensor update = 0.284807 seconds
*** |--> create = 0.08507 seconds
*** |--> destroy = 0.004951 seconds
*** |--> disk write = 0.075098 seconds
*** |--> disk read = 0.054151 seconds
*** |--> calc = 0.065314 seconds
*** Disk write bandwidth = 2.58603741501729 MB/s
*** Disk read bandwidth = 3.60638975857152 MB/s
*** Minimum energy = -107.007920599428
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.44909870161791e-10
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599428
*** Information on left sweep 3 of instruction 0:
*** Elapsed wall time = 0.409365 seconds
*** |--> S.join = 0.007392 seconds
*** |--> S.solve = 0.128923 seconds
*** |--> S.split = 0.007274 seconds
*** |--> Tensor update = 0.262181 seconds
*** |--> create = 0.0841250000000001 seconds
*** |--> destroy = 0.004946 seconds
*** |--> disk write = 0.074143 seconds
*** |--> disk read = 0.05439 seconds
*** |--> calc = 0.044355 seconds
*** Disk write bandwidth = 2.63395886080151 MB/s
*** Disk read bandwidth = 3.57062397118898 MB/s
*** Minimum energy = -107.007920599428
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599428
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599428
*** Information on right sweep 3 of instruction 0:
*** Elapsed wall time = 0.404726 seconds
*** |--> S.join = 0.003345 seconds
*** |--> S.solve = 0.121105 seconds
*** |--> S.split = 0.007246 seconds
*** |--> Tensor update = 0.269321 seconds
*** |--> create = 0.085024 seconds
*** |--> destroy = 0.005005 seconds
*** |--> disk write = 0.074791 seconds
*** |--> disk read = 0.054217 seconds
*** |--> calc = 0.050067 seconds
*** Disk write bandwidth = 2.59665250889771 MB/s
*** Disk read bandwidth = 3.60199959083694 MB/s
*** Minimum energy = -107.007920599428
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -107.007920599428
*** Minimum energy encountered during the last sweep = -107.007920599428
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -107.007920599428 and as Econst + 0.5*trace(2DM-A*Ham) = -107.007920599428
NOON of irrep Ag = [ 1.99999761653207 , 1.99817456287 , 1.99099528699901 ].
NOON of irrep B2g = [ 0.999157330003531 ].
NOON of irrep B3g = [ 0.999157320967634 ].
NOON of irrep B1u = [ 1.99999763397404 , 1.99356777287909 , 0.0151842690649037 ].
NOON of irrep B2u = [ 1.0018841042864 ].
NOON of irrep B3u = [ 1.0018841024233 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85673590528497e-05 , 0.0439793909863152 , 0.0191229813611928 , 0.710073252117214 , 0.710073238609353 , 0.000114193953240233 , 0.0501991690770383 , 0.0847682933212511 , 0.709393150513124 , 0.70939316334096 ].
Idistance(0) = 1.96740821729641
Idistance(1) = 7.24683062599641
Idistance(2) = 34.6048672973797
**************************************
RMS difference FCI and DMRG determinant coefficients = 2.51046043997e-06
Info on DMRG::operators rm call to system: 0
FCI::Startup : Number of variables in the FCI vector = 276
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.070656 MB memory.
FCI::HamTimesVec : Wall time = 0.011704 seconds
FCI::HamTimesVec : Wall time = 0.011406 seconds
FCI::HamTimesVec : Wall time = 0.011396 seconds
FCI::HamTimesVec : Wall time = 0.011406 seconds
FCI::HamTimesVec : Wall time = 0.011331 seconds
FCI::HamTimesVec : Wall time = 0.011369 seconds
FCI::HamTimesVec : Wall time = 0.01135 seconds
FCI::HamTimesVec : Wall time = 0.011309 seconds
FCI::HamTimesVec : Wall time = 0.011341 seconds
FCI::HamTimesVec : Wall time = 0.011354 seconds
FCI::HamTimesVec : Wall time = 0.011402 seconds
FCI::HamTimesVec : Wall time = 0.011348 seconds
FCI::HamTimesVec : Wall time = 0.011388 seconds
FCI::HamTimesVec : Wall time = 0.011343 seconds
FCI::HamTimesVec : Wall time = 0.011305 seconds
FCI::HamTimesVec : Wall time = 0.033234 seconds
FCI::GSDavidson : Converged ground state energy = -106.19146657595
FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 13
Energy at sites (8, 9) is -103.255644323785
Stats: nIt(DAVIDSON) = 24
Energy at sites (7, 8) is -105.792759848376
Stats: nIt(DAVIDSON) = 63
Energy at sites (6, 7) is -105.903851232564
Stats: nIt(DAVIDSON) = 26
Energy at sites (5, 6) is -106.121828462829
Stats: nIt(DAVIDSON) = 31
Energy at sites (4, 5) is -106.155896474913
Stats: nIt(DAVIDSON) = 27
Energy at sites (3, 4) is -106.173809397124
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.173809455082
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.173809455082
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 4.257737 seconds
*** |--> S.join = 0.006058 seconds
*** |--> S.solve = 3.93757 seconds
*** |--> S.split = 0.007357 seconds
*** |--> Tensor update = 0.303144 seconds
*** |--> create = 0.093284 seconds
*** |--> destroy = 0.006386 seconds
*** |--> disk write = 0.075989 seconds
*** |--> disk read = 0.05447 seconds
*** |--> calc = 0.072783 seconds
*** Disk write bandwidth = 2.65641764607789 MB/s
*** Disk read bandwidth = 3.68597661987103 MB/s
*** Minimum energy = -106.173809455082
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.173809455082
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.173809455082
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.173809455082
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.173809455082
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -106.173830551126
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.191233079364
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.191233079739
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191233079739
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.926127 seconds
*** |--> S.join = 0.003554 seconds
*** |--> S.solve = 0.615343 seconds
*** |--> S.split = 0.008079 seconds
*** |--> Tensor update = 0.295552 seconds
*** |--> create = 0.089986 seconds
*** |--> destroy = 0.005818 seconds
*** |--> disk write = 0.075838 seconds
*** |--> disk read = 0.072673 seconds
*** |--> calc = 0.050996 seconds
*** Disk write bandwidth = 2.6474214310026 MB/s
*** Disk read bandwidth = 2.77762746147555 MB/s
*** Minimum energy = -106.191233079739
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 106.191233079739
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191233079739
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191233079738
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191233079739
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191233079738
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -106.191384055157
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -106.191461489022
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -106.191461489228
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191461489228
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.689763 seconds
*** |--> S.join = 0.008799 seconds
*** |--> S.solve = 0.395565 seconds
*** |--> S.split = 0.01497 seconds
*** |--> Tensor update = 0.267113 seconds
*** |--> create = 0.086821 seconds
*** |--> destroy = 0.005408 seconds
*** |--> disk write = 0.074076 seconds
*** |--> disk read = 0.055034 seconds
*** |--> calc = 0.045528 seconds
*** Disk write bandwidth = 2.72501917635688 MB/s
*** Disk read bandwidth = 3.64820195668814 MB/s
*** Minimum energy = -106.191461489228
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191461489228
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191461489228
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191461489228
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191461489228
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -106.191461508001
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -106.191466329178
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.191466329422
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466329422
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.743868 seconds
*** |--> S.join = 0.003576 seconds
*** |--> S.solve = 0.437593 seconds
*** |--> S.split = 0.011464 seconds
*** |--> Tensor update = 0.28757 seconds
*** |--> create = 0.085673 seconds
*** |--> destroy = 0.005135 seconds
*** |--> disk write = 0.074492 seconds
*** |--> disk read = 0.054326 seconds
*** |--> calc = 0.067719 seconds
*** Disk write bandwidth = 2.69525783284614 MB/s
*** Disk read bandwidth = 3.71568899804537 MB/s
*** Minimum energy = -106.191466329422
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 0.000233249683759595
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466329422
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466329422
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466329422
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -106.191466329433
Stats: nIt(DAVIDSON) = 5
Energy at sites (4, 5) is -106.191466431923
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -106.191466561564
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466561565
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466561565
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.556045 seconds
*** |--> S.join = 0.003408 seconds
*** |--> S.solve = 0.280062 seconds
*** |--> S.split = 0.007368 seconds
*** |--> Tensor update = 0.261548 seconds
*** |--> create = 0.084378 seconds
*** |--> destroy = 0.004994 seconds
*** |--> disk write = 0.073175 seconds
*** |--> disk read = 0.054648 seconds
*** |--> calc = 0.044124 seconds
*** Disk write bandwidth = 2.75857219689529 MB/s
*** Disk read bandwidth = 3.67397062077981 MB/s
*** Minimum energy = -106.191466561565
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466561564
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466561565
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466561565
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191466561565
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -106.191466561638
Stats: nIt(DAVIDSON) = 5
Energy at sites (5, 6) is -106.191466575078
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575078
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575078
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.545187 seconds
*** |--> S.join = 0.005153 seconds
*** |--> S.solve = 0.260039 seconds
*** |--> S.split = 0.00728 seconds
*** |--> Tensor update = 0.269084 seconds
*** |--> create = 0.085664 seconds
*** |--> destroy = 0.005096 seconds
*** |--> disk write = 0.074484 seconds
*** |--> disk read = 0.054217 seconds
*** |--> calc = 0.04939 seconds
*** Disk write bandwidth = 2.6955473186775 MB/s
*** Disk read bandwidth = 3.72315916608836 MB/s
*** Minimum energy = -106.191466575078
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.45655627395536e-07
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575078
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575078
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575078
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191466575078
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -106.191466575432
Stats: nIt(DAVIDSON) = 3
Energy at sites (3, 4) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575881
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575881
*** Information on left sweep 3 of instruction 0:
*** Elapsed wall time = 0.476079 seconds
*** |--> S.join = 0.00672 seconds
*** |--> S.solve = 0.180406 seconds
*** |--> S.split = 0.016058 seconds
*** |--> Tensor update = 0.26931 seconds
*** |--> create = 0.084409 seconds
*** |--> destroy = 0.004936 seconds
*** |--> disk write = 0.073189 seconds
*** |--> disk read = 0.054627 seconds
*** |--> calc = 0.05192 seconds
*** Disk write bandwidth = 2.75804452182449 MB/s
*** Disk read bandwidth = 3.67538298797985 MB/s
*** Minimum energy = -106.191466575882
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466575881
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575881
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191466575881
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575882
*** Information on right sweep 3 of instruction 0:
*** Elapsed wall time = 0.401812 seconds
*** |--> S.join = 0.003294 seconds
*** |--> S.solve = 0.120609 seconds
*** |--> S.split = 0.007273 seconds
*** |--> Tensor update = 0.267001 seconds
*** |--> create = 0.085722 seconds
*** |--> destroy = 0.005034 seconds
*** |--> disk write = 0.074495 seconds
*** |--> disk read = 0.054159 seconds
*** |--> calc = 0.04736 seconds
*** Disk write bandwidth = 2.69514929168904 MB/s
*** Disk read bandwidth = 3.72714637470804 MB/s
*** Minimum energy = -106.191466575882
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 8.03652255854104e-10
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191466575881
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575882
*** Information on left sweep 4 of instruction 0:
*** Elapsed wall time = 0.405569 seconds
*** |--> S.join = 0.003426 seconds
*** |--> S.solve = 0.127805 seconds
*** |--> S.split = 0.007365 seconds
*** |--> Tensor update = 0.263315 seconds
*** |--> create = 0.084348 seconds
*** |--> destroy = 0.004839 seconds
*** |--> disk write = 0.0732220000000001 seconds
*** |--> disk read = 0.055038 seconds
*** |--> calc = 0.045649 seconds
*** Disk write bandwidth = 2.75680151467882 MB/s
*** Disk read bandwidth = 3.64793681609751 MB/s
*** Minimum energy = -106.191466575882
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -106.191466575882
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191466575881
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575881
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575882
*** Information on right sweep 4 of instruction 0:
*** Elapsed wall time = 0.433663 seconds
*** |--> S.join = 0.005269 seconds
*** |--> S.solve = 0.138811 seconds
*** |--> S.split = 0.011724 seconds
*** |--> Tensor update = 0.274212 seconds
*** |--> create = 0.086006 seconds
*** |--> destroy = 0.005058 seconds
*** |--> disk write = 0.074483 seconds
*** |--> disk read = 0.054218 seconds
*** |--> calc = 0.054224 seconds
*** Disk write bandwidth = 2.69558350877885 MB/s
*** Disk read bandwidth = 3.72309049592041 MB/s
*** Minimum energy = -106.191466575882
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -106.191466575882
*** Minimum energy encountered during the last sweep = -106.191466575882
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -106.191466575881 and as Econst + 0.5*trace(2DM-A*Ham) = -106.191466575882
NOON of irrep Ag = [ 1.9999939964497 , 1.99366370763028 , 1.87190100144706 ].
NOON of irrep B2g = [ 0.584817197819215 ].
NOON of irrep B3g = [ 0.584810609882439 ].
NOON of irrep B1u = [ 1.99999783387126 , 1.12096385084876 , 1.00219469808744 ].
NOON of irrep B2u = [ 1.42083287145844 ].
NOON of irrep B3u = [ 1.4208242325054 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17147363716212e-05 , 0.0722088681142928 , 0.460790327764516 , 1.13075701487489 , 1.13075709753269 , 6.17506485167523e-05 , 0.977138471464324 , 0.735933530027901 , 1.12042569833537 , 1.12042928697133 ].
Idistance(0) = 5.65233727133346
Idistance(1) = 19.8382920944069
Idistance(2) = 88.8195821191397
**************************************
RMS difference FCI and DMRG determinant coefficients = 1.42744163256e-05
Info on DMRG::operators rm call to system: 0
FCI::Startup : Number of variables in the FCI vector = 1182
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.302592 MB memory.
FCI::HamTimesVec : Wall time = 0.058406 seconds
FCI::HamTimesVec : Wall time = 0.0727 seconds
FCI::HamTimesVec : Wall time = 0.040856 seconds
FCI::HamTimesVec : Wall time = 0.040852 seconds
FCI::HamTimesVec : Wall time = 0.040732 seconds
FCI::HamTimesVec : Wall time = 0.040769 seconds
FCI::HamTimesVec : Wall time = 0.040724 seconds
FCI::HamTimesVec : Wall time = 0.040856 seconds
FCI::HamTimesVec : Wall time = 0.040825 seconds
FCI::HamTimesVec : Wall time = 0.040852 seconds
FCI::HamTimesVec : Wall time = 0.040851 seconds
FCI::HamTimesVec : Wall time = 0.040803 seconds
FCI::HamTimesVec : Wall time = 0.040848 seconds
FCI::HamTimesVec : Wall time = 0.040868 seconds
FCI::HamTimesVec : Wall time = 0.04085 seconds
FCI::HamTimesVec : Wall time = 0.040859 seconds
FCI::GSDavidson : Converged ground state energy = -107.346326115024
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 15
Energy at sites (8, 9) is -103.186767324879
Stats: nIt(DAVIDSON) = 37
Energy at sites (7, 8) is -106.600671165075
Stats: nIt(DAVIDSON) = 29
Energy at sites (6, 7) is -106.778111466144
Stats: nIt(DAVIDSON) = 63
Energy at sites (5, 6) is -107.03451021732
Stats: nIt(DAVIDSON) = 36
Energy at sites (4, 5) is -107.343833307206
Stats: nIt(DAVIDSON) = 18
Energy at sites (3, 4) is -107.343961030044
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -107.343962368262
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.343962368262
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 9.868855 seconds
*** |--> S.join = 0.0076 seconds
*** |--> S.solve = 9.472676 seconds
*** |--> S.split = 0.014611 seconds
*** |--> Tensor update = 0.370262 seconds
*** |--> create = 0.107674 seconds
*** |--> destroy = 0.005538 seconds
*** |--> disk write = 0.089802 seconds
*** |--> disk read = 0.059518 seconds
*** |--> calc = 0.107463 seconds
*** Disk write bandwidth = 9.11768803694516 MB/s
*** Disk read bandwidth = 13.6960694023893 MB/s
*** Minimum energy = -107.343962368262
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.343962368261
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.343962368262
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.343962368261
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.343962371412
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.343962397549
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -107.346317620644
Stats: nIt(DAVIDSON) = 5
Energy at sites (6, 7) is -107.346322334866
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346322334866
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 2.055884 seconds
*** |--> S.join = 0.007817 seconds
*** |--> S.solve = 1.663485 seconds
*** |--> S.split = 0.013831 seconds
*** |--> Tensor update = 0.367092 seconds
*** |--> create = 0.110671 seconds
*** |--> destroy = 0.006415 seconds
*** |--> disk write = 0.092474 seconds
*** |--> disk read = 0.058662 seconds
*** |--> calc = 0.09858 seconds
*** Disk write bandwidth = 8.81504702609821 MB/s
*** Disk read bandwidth = 13.9577004039029 MB/s
*** Minimum energy = -107.346322334866
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.346322334866
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346322334866
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346322334866
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346322334866
Stats: nIt(DAVIDSON) = 5
Energy at sites (5, 6) is -107.346322338583
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.346325831717
Stats: nIt(DAVIDSON) = 7
Energy at sites (3, 4) is -107.346326084762
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.346326085206
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326085205
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 1.383652 seconds
*** |--> S.join = 0.009228 seconds
*** |--> S.solve = 0.942631 seconds
*** |--> S.split = 0.018569 seconds
*** |--> Tensor update = 0.407418 seconds
*** |--> create = 0.137515 seconds
*** |--> destroy = 0.00794 seconds
*** |--> disk write = 0.097064 seconds
*** |--> disk read = 0.069392 seconds
*** |--> calc = 0.095262 seconds
*** Disk write bandwidth = 8.4355334737261 MB/s
*** Disk read bandwidth = 11.7472137810037 MB/s
*** Minimum energy = -107.346326085206
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326085206
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326085206
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326085206
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326085205
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.346326085579
Stats: nIt(DAVIDSON) = 5
Energy at sites (5, 6) is -107.346326113526
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.346326114543
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114543
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 1.128698 seconds
*** |--> S.join = 0.013595 seconds
*** |--> S.solve = 0.655516 seconds
*** |--> S.split = 0.023048 seconds
*** |--> Tensor update = 0.432898 seconds
*** |--> create = 0.124266 seconds
*** |--> destroy = 0.005252 seconds
*** |--> disk write = 0.086915 seconds
*** |--> disk read = 0.108175 seconds
*** |--> calc = 0.108044 seconds
*** Disk write bandwidth = 9.37884897533689 MB/s
*** Disk read bandwidth = 7.56909286890455 MB/s
*** Minimum energy = -107.346326114543
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.77967697318127e-06
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346326114543
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114543
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326114543
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.346326114543
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326114992
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.798952 seconds
*** |--> S.join = 0.007263 seconds
*** |--> S.solve = 0.35356 seconds
*** |--> S.split = 0.014625 seconds
*** |--> Tensor update = 0.417956 seconds
*** |--> create = 0.129512 seconds
*** |--> destroy = 0.005325 seconds
*** |--> disk write = 0.098176 seconds
*** |--> disk read = 0.079786 seconds
*** |--> calc = 0.104909 seconds
*** Disk write bandwidth = 8.33998758447839 MB/s
*** Disk read bandwidth = 10.2168633430853 MB/s
*** Minimum energy = -107.346326114992
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.346326114993
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326114993
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114992
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.626235 seconds
*** |--> S.join = 0.004959 seconds
*** |--> S.solve = 0.247733 seconds
*** |--> S.split = 0.013925 seconds
*** |--> Tensor update = 0.355964 seconds
*** |--> create = 0.109986 seconds
*** |--> destroy = 0.005246 seconds
*** |--> disk write = 0.083015 seconds
*** |--> disk read = 0.058803 seconds
*** |--> calc = 0.098682 seconds
*** Disk write bandwidth = 9.81946225009223 MB/s
*** Disk read bandwidth = 13.9242321156021 MB/s
*** Minimum energy = -107.346326114993
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.48949322162662e-10
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326114993
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326114993
*** Information on left sweep 3 of instruction 0:
*** Elapsed wall time = 0.686868 seconds
*** |--> S.join = 0.007302 seconds
*** |--> S.solve = 0.276435 seconds
*** |--> S.split = 0.01961 seconds
*** |--> Tensor update = 0.37777 seconds
*** |--> create = 0.127326 seconds
*** |--> destroy = 0.005229 seconds
*** |--> disk write = 0.081836 seconds
*** |--> disk read = 0.067531 seconds
*** |--> calc = 0.095601 seconds
*** Disk write bandwidth = 10.0052131225103 MB/s
*** Disk read bandwidth = 12.0709401414374 MB/s
*** Minimum energy = -107.346326114993
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326114993
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326114993
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326114993
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.346326114993
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.346326114992
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326114993
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114992
*** Information on right sweep 3 of instruction 0:
*** Elapsed wall time = 0.627313 seconds
*** |--> S.join = 0.004886 seconds
*** |--> S.solve = 0.247532 seconds
*** |--> S.split = 0.013848 seconds
*** |--> Tensor update = 0.357401 seconds
*** |--> create = 0.109916 seconds
*** |--> destroy = 0.005265 seconds
*** |--> disk write = 0.082866 seconds
*** |--> disk read = 0.058676 seconds
*** |--> calc = 0.100443 seconds
*** Disk write bandwidth = 9.83711846464661 MB/s
*** Disk read bandwidth = 13.9543701188518 MB/s
*** Minimum energy = -107.346326114993
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.13686837721616e-13
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -107.346326114993
*** Minimum energy encountered during the last sweep = -107.346326114993
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -107.346326114992 and as Econst + 0.5*trace(2DM-A*Ham) = -107.346326114993
NOON of irrep Ag = [ 1.99999018535993 , 1.99292174382784 , 1.032212864908 ].
NOON of irrep B2g = [ 1.02415311425541 ].
NOON of irrep B3g = [ 0.0896934143480827 ].
NOON of irrep B1u = [ 1.99999295582035 , 1.95039159422756 , 0.0159495017642095 ].
NOON of irrep B2u = [ 1.91962161469218 ].
NOON of irrep B3u = [ 1.97507301079646 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322778188528 , 0.044714205726956 , 0.838966810017826 , 0.790659114084325 , 0.317368432292982 , 9.24990824335883e-05 , 0.227633968518168 , 0.0907424191271872 , 0.299652665866256 , 0.133979554464212 ].
Idistance(0) = 1.57215415488426
Idistance(1) = 5.15805560297081
Idistance(2) = 21.9866495942528
**************************************
RMS difference FCI and DMRG determinant coefficients = 3.75369281511e-06
Info on DMRG::operators rm call to system: 0
FCI::Startup : Number of variables in the FCI vector = 1182
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.302592 MB memory.
FCI::HamTimesVec : Wall time = 0.041761 seconds
FCI::HamTimesVec : Wall time = 0.041997 seconds
FCI::HamTimesVec : Wall time = 0.041006 seconds
FCI::HamTimesVec : Wall time = 0.040987 seconds
FCI::HamTimesVec : Wall time = 0.04097 seconds
FCI::HamTimesVec : Wall time = 0.040958 seconds
FCI::HamTimesVec : Wall time = 0.041676 seconds
FCI::HamTimesVec : Wall time = 0.064558 seconds
FCI::HamTimesVec : Wall time = 0.041145 seconds
FCI::HamTimesVec : Wall time = 0.0412020000000001 seconds
FCI::HamTimesVec : Wall time = 0.041301 seconds
FCI::HamTimesVec : Wall time = 0.041136 seconds
FCI::HamTimesVec : Wall time = 0.041047 seconds
FCI::HamTimesVec : Wall time = 0.041087 seconds
FCI::HamTimesVec : Wall time = 0.041097 seconds
FCI::HamTimesVec : Wall time = 0.041172 seconds
FCI::HamTimesVec : Wall time = 0.041131 seconds
FCI::HamTimesVec : Wall time = 0.041175 seconds
FCI::HamTimesVec : Wall time = 0.04124 seconds
FCI::GSDavidson : Converged ground state energy = -107.199617421919
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 18
Energy at sites (8, 9) is -100.794105793545
Stats: nIt(DAVIDSON) = 31
Energy at sites (7, 8) is -106.277710543672
Stats: nIt(DAVIDSON) = 41
Energy at sites (6, 7) is -106.949876491015
Stats: nIt(DAVIDSON) = 64
Energy at sites (5, 6) is -107.183995814904
Stats: nIt(DAVIDSON) = 41
Energy at sites (4, 5) is -107.188572675813
Stats: nIt(DAVIDSON) = 38
Energy at sites (3, 4) is -107.199485500417
Stats: nIt(DAVIDSON) = 11
Energy at sites (2, 3) is -107.199510291926
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199510291926
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 10.987944 seconds
*** |--> S.join = 0.004643 seconds
*** |--> S.solve = 10.595254 seconds
*** |--> S.split = 0.014064 seconds
*** |--> Tensor update = 0.370297 seconds
*** |--> create = 0.105616 seconds
*** |--> destroy = 0.005082 seconds
*** |--> disk write = 0.09211 seconds
*** |--> disk read = 0.05966 seconds
*** |--> calc = 0.107598 seconds
*** Disk write bandwidth = 9.13232975836466 MB/s
*** Disk read bandwidth = 14.0388020724208 MB/s
*** Minimum energy = -107.199510291926
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199510291926
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199510291926
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199510291926
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.199510298622
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.199522758129
Stats: nIt(DAVIDSON) = 21
Energy at sites (5, 6) is -107.199616455228
Stats: nIt(DAVIDSON) = 7
Energy at sites (6, 7) is -107.199617277124
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617277124
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 2.767166 seconds
*** |--> S.join = 0.008839 seconds
*** |--> S.solve = 2.340359 seconds
*** |--> S.split = 0.019074 seconds
*** |--> Tensor update = 0.395146 seconds
*** |--> create = 0.114848 seconds
*** |--> destroy = 0.005183 seconds
*** |--> disk write = 0.082075 seconds
*** |--> disk read = 0.077276 seconds
*** |--> calc = 0.115533 seconds
*** Disk write bandwidth = 10.2047509185577 MB/s
*** Disk read bandwidth = 10.885383483138 MB/s
*** Minimum energy = -107.199617277124
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.199617277124
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.199617277124
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617277124
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617277124
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -107.199617278353
Stats: nIt(DAVIDSON) = 6
Energy at sites (4, 5) is -107.199617375604
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.199617421009
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.199617421465
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421465
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 1.619788 seconds
*** |--> S.join = 0.004801 seconds
*** |--> S.solve = 1.250634 seconds
*** |--> S.split = 0.014013 seconds
*** |--> Tensor update = 0.346679 seconds
*** |--> create = 0.105815 seconds
*** |--> destroy = 0.005283 seconds
*** |--> disk write = 0.081278 seconds
*** |--> disk read = 0.059376 seconds
*** |--> calc = 0.094677 seconds
*** Disk write bandwidth = 10.3494044396143 MB/s
*** Disk read bandwidth = 14.1059507484611 MB/s
*** Minimum energy = -107.199617421465
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421465
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421465
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421465
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421465
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.199617421519
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.19961742188
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.806244 seconds
*** |--> S.join = 0.006591 seconds
*** |--> S.solve = 0.366185 seconds
*** |--> S.split = 0.014185 seconds
*** |--> Tensor update = 0.415553 seconds
*** |--> create = 0.12291 seconds
*** |--> destroy = 0.005239 seconds
*** |--> disk write = 0.090146 seconds
*** |--> disk read = 0.079423 seconds
*** |--> calc = 0.117595 seconds
*** Disk write bandwidth = 9.29109368846787 MB/s
*** Disk read bandwidth = 10.591124662163 MB/s
*** Minimum energy = -107.199617421881
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.44756455711104e-07
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.19961742188
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.19961742188
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421881
*** Information on left sweep 2 of instruction 0:
*** Elapsed wall time = 0.611482 seconds
*** |--> S.join = 0.004725 seconds
*** |--> S.solve = 0.242254 seconds
*** |--> S.split = 0.013984 seconds
*** |--> Tensor update = 0.346806 seconds
*** |--> create = 0.105756 seconds
*** |--> destroy = 0.005198 seconds
*** |--> disk write = 0.081543 seconds
*** |--> disk read = 0.0592540000000001 seconds
*** |--> calc = 0.094802 seconds
*** Disk write bandwidth = 10.3157707472495 MB/s
*** Disk read bandwidth = 14.1349939521488 MB/s
*** Minimum energy = -107.199617421881
*** Maximum discarded weight = 0
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.19961742188
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (4, 5) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617421881
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.19961742188
*** Information on right sweep 2 of instruction 0:
*** Elapsed wall time = 0.663888 seconds
*** |--> S.join = 0.008479 seconds
*** |--> S.solve = 0.279932 seconds
*** |--> S.split = 0.016621 seconds
*** |--> Tensor update = 0.35519 seconds
*** |--> create = 0.108455 seconds
*** |--> destroy = 0.006021 seconds
*** |--> disk write = 0.084167 seconds
*** |--> disk read = 0.058838 seconds
*** |--> calc = 0.097474 seconds
*** Disk write bandwidth = 9.95110829233102 MB/s
*** Disk read bandwidth = 14.296524253764 MB/s
*** Minimum energy = -107.199617421881
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14
****************************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 2000
*** Minimum energy encountered during all instructions = -107.199617421881
*** Minimum energy encountered during the last sweep = -107.199617421881
*** Maximum discarded weight during the last sweep = 0
****************************************************************************
Stats: nIt(DAVIDSON) = 1
**************************************
** 2DM and Correlations calculation **
**************************************
N(N-1) = 182 and calculated by double trace of the 2DM-A = 182
Energy obtained by Heffective at edge = -107.199617421881 and as Econst + 0.5*trace(2DM-A*Ham) = -107.199617421881
NOON of irrep Ag = [ 1.99998814664499 , 1.98924043980766 , 1.8768784356308 ].
NOON of irrep B2g = [ 0.139388160847062 ].
NOON of irrep B3g = [ 1.03112717522991 ].
NOON of irrep B1u = [ 1.99999431245128 , 1.10839203593242 , 0.0211635539122669 ].
NOON of irrep B2u = [ 1.96715797740921 ].
NOON of irrep B3u = [ 1.86666976213441 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149979109498657 , 0.0818409062319784 , 0.449623771200044 , 0.486646350378559 , 0.811029848166786 , 6.68865977424601e-05 , 0.962047024807807 , 0.112094495721981 , 0.167176105442648 , 0.475083571433218 ].
Idistance(0) = 2.3844664083082
Idistance(1) = 9.58001072634803
Idistance(2) = 47.8785076938684
**************************************
RMS difference FCI and DMRG determinant coefficients = 7.72499862608e-06
Info on DMRG::operators rm call to system: 0
================> Did test 1 succeed : yes
make[1]: Leaving directory '/«PKGBUILDDIR»'
fakeroot debian/rules binary-arch
dh binary-arch --with python2
dh_testroot -a
dh_prep -a
debian/rules override_dh_auto_install
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_auto_install
make -j1 install DESTDIR=/«PKGBUILDDIR»/debian/tmp AM_UPDATE_INFO_DIR=no
make[2]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[3]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 71%] Built target chemps2-base
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 72%] Built target chemps2-shared
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 73%] Built target chemps2-static
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 76%] Built target chemps2bin
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 78%] Built target test1
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 80%] Built target test10
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 83%] Built target test2
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 85%] Built target test3
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 88%] Built target test4
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 90%] Built target test5
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 92%] Built target test6
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 95%] Built target test7
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[ 97%] Built target test8
make[4]: Entering directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
[100%] Built target test9
make[3]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
Install the project...
-- Install configuration: "None"
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so.1
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so
-- Removed runtime path from "/«PKGBUILDDIR»/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so.1"
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.a
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/CASSCF.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/ConvergenceScheme.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Correlations.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DIIS.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRG.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFVmatRotations.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFindices.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Davidson.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/FCI.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/FourIndex.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Gsl.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Hamiltonian.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Heff.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Initialize.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Irreps.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Lapack.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/MPIchemps2.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/MyHDF5.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Options.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Problem.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Sobject.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/SyBookkeeper.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Tensor.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorA.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorB.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorC.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorD.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorDiag.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF0.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF0Cbase.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF1.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF1Dbase.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorGYZ.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorK.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorL.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorM.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorO.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorQ.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS0.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS0Abase.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS1.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS1Bbase.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorSwap.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorT.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorX.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoDM.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoDMstorage.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoIndex.h
-- Installing: /«PKGBUILDDIR»/debian/tmp/usr/bin/chemps2
-- Removed runtime path from "/«PKGBUILDDIR»/debian/tmp/usr/bin/chemps2"
make[2]: Leaving directory '/«PKGBUILDDIR»/obj-arm-linux-gnueabihf'
# This will skip the build as it is already performed
cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py install --root=../debian/tmp --install-layout=deb
running install
running build
running build_py
copying ReadinHamiltonianFCIDUMP.py -> build/lib.linux-armv7l-2.7
copying ReadinHamiltonianPsi4.py -> build/lib.linux-armv7l-2.7
running build_ext
skipping 'PyCheMPS2.cpp' Cython extension (up-to-date)
running install_lib
creating ../debian/tmp/usr/lib/python2.7
creating ../debian/tmp/usr/lib/python2.7/dist-packages
copying build/lib.linux-armv7l-2.7/PyCheMPS2.so -> ../debian/tmp/usr/lib/python2.7/dist-packages
copying build/lib.linux-armv7l-2.7/ReadinHamiltonianFCIDUMP.py -> ../debian/tmp/usr/lib/python2.7/dist-packages
copying build/lib.linux-armv7l-2.7/ReadinHamiltonianPsi4.py -> ../debian/tmp/usr/lib/python2.7/dist-packages
byte-compiling ../debian/tmp/usr/lib/python2.7/dist-packages/ReadinHamiltonianFCIDUMP.py to ReadinHamiltonianFCIDUMP.pyc
byte-compiling ../debian/tmp/usr/lib/python2.7/dist-packages/ReadinHamiltonianPsi4.py to ReadinHamiltonianPsi4.pyc
running install_egg_info
Writing ../debian/tmp/usr/lib/python2.7/dist-packages/CheMPS2-1.6.egg-info
dh_numpy
make[1]: Leaving directory '/«PKGBUILDDIR»'
dh_install -a
dh_installdocs -a
debian/rules override_dh_installchangelogs
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_installchangelogs -k CHANGELOG.md
make[1]: Leaving directory '/«PKGBUILDDIR»'
debian/rules override_dh_installman
make[1]: Entering directory '/«PKGBUILDDIR»'
dh_installman chemps2.1
make[1]: Leaving directory '/«PKGBUILDDIR»'
dh_python2 -a
I: dh_python2 fs:316: renaming PyCheMPS2.so to PyCheMPS2.arm-linux-gnueabihf.so
dh_perl -a
dh_link -a
dh_compress -a
dh_fixperms -a
dh_strip -a
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/CASSCF.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/CASSCFdebug.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/ConvergenceScheme.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/Correlations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/Davidson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DIIS.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRG.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRGmpsio.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRGoperators.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRGSCFindices.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRGSCFoptions.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRGSCFunitary.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRGSCFVmatRotations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/DMRGtechnics.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/FCI.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/FourIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/Hamiltonian.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/Heff.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/HeffDiagonal.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/HeffDiagrams1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/HeffDiagrams2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/HeffDiagrams3.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/HeffDiagrams4.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/HeffDiagrams5.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/Initialize.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/Irreps.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/PrintLicense.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/Problem.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/Sobject.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/SyBookkeeper.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorA.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorB.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorC.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorD.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorDiag.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorF0Cbase.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorF0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorF1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorF1Dbase.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorGYZ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorK.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorL.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorO.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorQ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorS0Abase.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorS0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorS1Bbase.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorS1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorSwap.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorT.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TensorX.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TwoDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TwoDMstorage.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqp5zd7/TwoIndex.cpp.o: plugin needed to handle lto object
dh_makeshlibs -a
dpkg-gensymbols: warning: debian/libchemps2-1/DEBIAN/symbols doesn't match completely debian/libchemps2-1.symbols
--- debian/libchemps2-1.symbols (libchemps2-1_1.6-1+b1_armhf)
+++ dpkg-gensymbolsOHyvnk 2015-10-05 13:02:10.817155180 +0000
@@ -26,26 +26,26 @@
_ZN7CheMPS210TensorSwapD1Ev@Base 1.5
_ZN7CheMPS210TensorSwapD2Ev@Base 1.5
(optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5
- (optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ESsSsSs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ESsSsSs@Base 1.5
(optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPESs@Base 1.5
(optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpESs@Base 1.5
(optional)_ZN7CheMPS211Hamiltonian4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5
- (optional)_ZN7CheMPS211Hamiltonian4readESsSsSs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS211Hamiltonian4readESsSsSs@Base 1.5
_ZN7CheMPS211Hamiltonian7setTmatEiid@Base 1.5
_ZN7CheMPS211Hamiltonian7setVmatEiiiid@Base 1.5
_ZN7CheMPS211Hamiltonian9addToVmatEiiiid@Base 1.5
_ZN7CheMPS211Hamiltonian9setEconstEd@Base 1.5
(optional)_ZN7CheMPS211HamiltonianC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEi@Base 1.5
- (optional)_ZN7CheMPS211HamiltonianC1ESsi@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS211HamiltonianC1ESsi@Base 1.5
(optional)_ZN7CheMPS211HamiltonianC1EbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5
- (optional)_ZN7CheMPS211HamiltonianC1EbSsSsSs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS211HamiltonianC1EbSsSsSs@Base 1.5
_ZN7CheMPS211HamiltonianC1EiiPKi@Base 1.5
(optional)_ZN7CheMPS211HamiltonianC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEi@Base 1.5
- (optional)_ZN7CheMPS211HamiltonianC2ESsi@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS211HamiltonianC2ESsi@Base 1.5
(optional)_ZN7CheMPS211HamiltonianC2EbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5
- (optional)_ZN7CheMPS211HamiltonianC2EbSsSsSs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS211HamiltonianC2EbSsSsSs@Base 1.5
_ZN7CheMPS211HamiltonianC2EiiPKi@Base 1.5
_ZN7CheMPS211HamiltonianD0Ev@Base 1.5
_ZN7CheMPS211HamiltonianD1Ev@Base 1.5
@@ -68,7 +68,7 @@
_ZN7CheMPS212TwoDMstorage20calcNumberOfElementsEb@Base 1.5
_ZN7CheMPS212TwoDMstorage3setEiiiiiiiid@Base 1.5
(optional)_ZN7CheMPS212TwoDMstorage4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS212TwoDMstorage4readESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS212TwoDMstorage4readESs@Base 1.5
_ZN7CheMPS212TwoDMstorage5ClearEv@Base 1.5
_ZN7CheMPS212TwoDMstorageC1EiPKi@Base 1.5
_ZN7CheMPS212TwoDMstorageC2EiPKi@Base 1.5
@@ -148,13 +148,13 @@
_ZN7CheMPS214DMRGSCFoptions17setStartLocRandomEb@Base 1.5
_ZN7CheMPS214DMRGSCFoptions17setStateAveragingEb@Base 1.5
(optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameESs@Base 1.5
_ZN7CheMPS214DMRGSCFoptions19setDumpCorrelationsEb@Base 1.5
_ZN7CheMPS214DMRGSCFoptions19setWhichActiveSpaceEi@Base 1.5
_ZN7CheMPS214DMRGSCFoptions20setGradientThresholdEd@Base 1.5
_ZN7CheMPS214DMRGSCFoptions21setDIISGradientBranchEd@Base 1.5
(optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameESs@Base 1.5
_ZN7CheMPS214DMRGSCFoptions9setDoDIISEb@Base 1.5
_ZN7CheMPS214DMRGSCFoptionsC1Ev@Base 1.5
_ZN7CheMPS214DMRGSCFoptionsC2Ev@Base 1.5
@@ -165,7 +165,7 @@
_ZN7CheMPS214DMRGSCFunitary23makeSureAllBlocksDetOneEPdS1_@Base 1.5
_ZN7CheMPS214DMRGSCFunitary24rotateActiveSpaceVectorsEPdS1_@Base 1.5
(optional)_ZN7CheMPS214DMRGSCFunitary5loadUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS214DMRGSCFunitary5loadUESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS214DMRGSCFunitary5loadUESs@Base 1.5
_ZN7CheMPS214DMRGSCFunitary8getBlockEi@Base 1.5
_ZN7CheMPS214DMRGSCFunitaryC1EPNS_14DMRGSCFindicesE@Base 1.5
_ZN7CheMPS214DMRGSCFunitaryC2EPNS_14DMRGSCFindicesE@Base 1.5
@@ -229,7 +229,7 @@
_ZN7CheMPS24DIIS12getLastLincoEv@Base 1.5
_ZN7CheMPS24DIIS14calculateParamEPd@Base 1.5
(optional)_ZN7CheMPS24DIIS8loadDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS24DIIS8loadDIISESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS24DIIS8loadDIISESs@Base 1.5
_ZN7CheMPS24DIIS9appendNewEPdS1_@Base 1.5
_ZN7CheMPS24DIISC1Eiii@Base 1.5
_ZN7CheMPS24DIISC2Eiii@Base 1.5
@@ -248,9 +248,9 @@
_ZN7CheMPS24DMRG16updateMovingLeftEi@Base 1.5
_ZN7CheMPS24DMRG17updateMovingRightEi@Base 1.5
(optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6
- (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExSs@Base 1.6
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExSs@Base 1.6
(optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6
- (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExSs@Base 1.6
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExSs@Base 1.6
_ZN7CheMPS24DMRG19activateExcitationsEi@Base 1.5
_ZN7CheMPS24DMRG19prepare_excitationsEPNS_7SobjectE@Base 1.5
_ZN7CheMPS24DMRG20updateMovingLeftSafeEi@Base 1.5
@@ -264,15 +264,15 @@
_ZN7CheMPS24DMRG30updateMovingRightSafeFirstTimeEi@Base 1.5
_ZN7CheMPS24DMRG5SolveEv@Base 1.5
(optional)_ZN7CheMPS24DMRG7loadDIMENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPNS_12SyBookkeeperE@Base 1.5
- (optional)_ZN7CheMPS24DMRG7loadDIMESsPNS_12SyBookkeeperE@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS24DMRG7loadDIMESsPNS_12SyBookkeeperE@Base 1.5
(optional)_ZN7CheMPS24DMRG7loadMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPb@Base 1.5
- (optional)_ZN7CheMPS24DMRG7loadMPSESsPPNS_7TensorTEPb@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS24DMRG7loadMPSESsPPNS_7TensorTEPb@Base 1.5
_ZN7CheMPS24DMRG8PreSolveEv@Base 1.5
_ZN7CheMPS24DMRG9sweepleftEbib@Base 1.5
(optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5
(optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5
_ZN7CheMPS24DMRGD0Ev@Base 1.5
_ZN7CheMPS24DMRGD1Ev@Base 1.5
_ZN7CheMPS24DMRGD2Ev@Base 1.5
@@ -327,7 +327,7 @@
_ZN7CheMPS26CASSCF17getNumberOfIrrepsEv@Base 1.5
(optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
_ZN7CheMPS26CASSCF18allocateAndFillOCCEPiS1_@Base 1.5
- (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCESs@Base 1.5
_ZN7CheMPS26CASSCF18augmentedHessianNREPKNS_13DMRGSCFmatrixEPKNS_13DMRGSCFwtildeEPKNS_14DMRGSCFindicesEPKNS_14DMRGSCFunitaryEPdSD_SD_@Base 1.5
_ZN7CheMPS26CASSCF21doCASSCFnewtonraphsonEiiiPNS_17ConvergenceSchemeEiPNS_14DMRGSCFoptionsE@Base 1.5
_ZN7CheMPS26CASSCF29fillLocalizedOrbitalRotationsEPNS_14DMRGSCFunitaryEPNS_14DMRGSCFindicesEPd@Base 1.5
@@ -338,22 +338,22 @@
_ZN7CheMPS26CASSCF9buildFmatEPNS_13DMRGSCFmatrixEPKS1_S4_S4_PKNS_14DMRGSCFindicesEPKNS_16DMRGSCFintegralsEPdSB_@Base 1.5
(optional)_ZN7CheMPS26CASSCFC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
_ZN7CheMPS26CASSCFC1EPNS_11HamiltonianEPiS3_@Base 1.5
- (optional)_ZN7CheMPS26CASSCFC1ESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS26CASSCFC1ESs@Base 1.5
(optional)_ZN7CheMPS26CASSCFC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
_ZN7CheMPS26CASSCFC2EPNS_11HamiltonianEPiS3_@Base 1.5
- (optional)_ZN7CheMPS26CASSCFC2ESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS26CASSCFC2ESs@Base 1.5
_ZN7CheMPS26CASSCFD0Ev@Base 1.5
_ZN7CheMPS26CASSCFD1Ev@Base 1.5
_ZN7CheMPS26CASSCFD2Ev@Base 1.5
(optional)_ZN7CheMPS26Irreps12getGroupNameB5cxx11Ei@Base 1.5
- (optional)_ZN7CheMPS26Irreps12getGroupNameEi@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS26Irreps12getGroupNameEi@Base 1.5
(optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6
- (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiSs@Base 1.6
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiSs@Base 1.6
_ZN7CheMPS26Irreps17getNumberOfIrrepsEi@Base 1.5
(optional)_ZN7CheMPS26Irreps19getGroupNamePrivateB5cxx11Ei@Base 1.5
- (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateEi@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateEi@Base 1.5
(optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateB5cxx11Eii@Base 1.5
- (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateEii@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateEii@Base 1.5
_ZN7CheMPS26Irreps8printAllEv@Base 1.5
_ZN7CheMPS26Irreps8setGroupEi@Base 1.5
_ZN7CheMPS26IrrepsC1Ei@Base 1.5
@@ -555,7 +555,7 @@
_ZN7CheMPS28TensorS1D2Ev@Base 1.5
_ZN7CheMPS28TwoIndex3setEiiid@Base 1.5
(optional)_ZN7CheMPS28TwoIndex4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS28TwoIndex4readESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS28TwoIndex4readESs@Base 1.5
_ZN7CheMPS28TwoIndex5ClearEv@Base 1.5
_ZN7CheMPS28TwoIndexC1EiPKi@Base 1.5
_ZN7CheMPS28TwoIndexC2EiPKi@Base 1.5
@@ -566,7 +566,7 @@
_ZN7CheMPS29FourIndex3addEiiiiiiiid@Base 1.5
_ZN7CheMPS29FourIndex3setEiiiiiiiid@Base 1.5
(optional)_ZN7CheMPS29FourIndex4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZN7CheMPS29FourIndex4readESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZN7CheMPS29FourIndex4readESs@Base 1.5
_ZN7CheMPS29FourIndex5ClearEv@Base 1.5
_ZN7CheMPS29FourIndexC1EiPKi@Base 1.5
_ZN7CheMPS29FourIndexC2EiPKi@Base 1.5
@@ -591,11 +591,11 @@
_ZNK7CheMPS210TensorSwap7gNKappaEv@Base 1.5
_ZNK7CheMPS211Hamiltonian10debugcheckEv@Base 1.5
(optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEiii@Base 1.6
- (optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPESsiii@Base 1.6
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPESsiii@Base 1.6
_ZNK7CheMPS211Hamiltonian15getOrbitalIrrepEi@Base 1.5
_ZNK7CheMPS211Hamiltonian4getLEv@Base 1.5
(optional)_ZNK7CheMPS211Hamiltonian4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5
- (optional)_ZNK7CheMPS211Hamiltonian4saveESsSsSs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS211Hamiltonian4saveESsSsSs@Base 1.5
_ZNK7CheMPS211Hamiltonian7getTmatEii@Base 1.5
_ZNK7CheMPS211Hamiltonian7getVmatEiiii@Base 1.5
_ZNK7CheMPS211Hamiltonian9getEconstEv@Base 1.5
@@ -639,7 +639,7 @@
_ZNK7CheMPS212TwoDMstorage10getPointerEiiiiiiii@Base 1.5
_ZNK7CheMPS212TwoDMstorage3getEiiiiiiii@Base 1.5
(optional)_ZNK7CheMPS212TwoDMstorage4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS212TwoDMstorage4saveESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS212TwoDMstorage4saveESs@Base 1.5
_ZNK7CheMPS213DMRGSCFmatrix3getEiii@Base 1.5
_ZNK7CheMPS213DMRGSCFwtilde3getEiiiiii@Base 1.5
_ZNK7CheMPS213TensorF0Cbase12gKappa2indexEi@Base 1.5
@@ -681,13 +681,13 @@
_ZNK7CheMPS214DMRGSCFoptions17getStartLocRandomEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions17getStateAveragingEv@Base 1.5
(optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameB5cxx11Ev@Base 1.5
- (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameEv@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions19getDumpCorrelationsEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions19getWhichActiveSpaceEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions20getGradientThresholdEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions21getDIISGradientBranchEv@Base 1.5
(optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameB5cxx11Ev@Base 1.5
- (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameEv@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameEv@Base 1.5
_ZNK7CheMPS214DMRGSCFoptions9getDoDIISEv@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary13getFirstIndexEi@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary14buildSkewSymmXEiPdS1_b@Base 1.5
@@ -695,11 +695,11 @@
_ZNK7CheMPS214DMRGSCFunitary14getSecondIndexEi@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary16getNumVariablesXEv@Base 1.5
(optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryESs@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary25CheckDeviationFromUnitaryEPd@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary3BCHEPdS1_S1_S1_S1_@Base 1.5
(optional)_ZNK7CheMPS214DMRGSCFunitary5saveUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUESs@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary6getLogEPdS1_S1_@Base 1.5
_ZNK7CheMPS214DMRGSCFunitary9getJumperEii@Base 1.5
_ZNK7CheMPS216DMRGSCFintegrals11get_coulombEiiiiiiii@Base 1.5
@@ -748,15 +748,15 @@
_ZNK7CheMPS24DIIS15getNumVarsErrorEv@Base 1.5
_ZNK7CheMPS24DIIS15getNumVarsParamEv@Base 1.5
(optional)_ZNK7CheMPS24DIIS16deleteStoredDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISESs@Base 1.5
_ZNK7CheMPS24DIIS17getCurrentNumVecsEv@Base 1.5
(optional)_ZNK7CheMPS24DIIS8saveDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS24DIIS8saveDIISESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS24DIIS8saveDIISESs@Base 1.5
_ZNK7CheMPS24DMRG17getFCIcoefficientEPiS1_b@Base 1.5
_ZNK7CheMPS24DMRG19cleanup_excitationsEPPd@Base 1.5
_ZNK7CheMPS24DMRG22getSpecificCoefficientEPi@Base 1.5
(optional)_ZNK7CheMPS24DMRG7saveMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5
- (optional)_ZNK7CheMPS24DMRG7saveMPSESsPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS24DMRG7saveMPSESsPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5
_ZNK7CheMPS24Heff12addDiagram1AEiPdS1_PKNS_7SobjectEPNS_7TensorXE@Base 1.5
_ZNK7CheMPS24Heff12addDiagram1BEiPdS1_PKNS_7SobjectEPNS_7TensorXE@Base 1.5
_ZNK7CheMPS24Heff12addDiagram1CEiPdS1_PKNS_7SobjectEd@Base 1.5
@@ -847,15 +847,15 @@
_ZNK7CheMPS25TwoDM13getTwoDMA_HAMEiiii@Base 1.5
_ZNK7CheMPS25TwoDM13getTwoDMB_HAMEiiii@Base 1.5
(optional)_ZNK7CheMPS25TwoDM13write2DMAfileENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6
- (optional)_ZNK7CheMPS25TwoDM13write2DMAfileESs@Base 1.6
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS25TwoDM13write2DMAfileESs@Base 1.6
_ZNK7CheMPS25TwoDM14getTwoDMA_DMRGEiiii@Base 1.5
_ZNK7CheMPS25TwoDM14getTwoDMB_DMRGEiiii@Base 1.5
_ZNK7CheMPS25TwoDM9printNOONEv@Base 1.6
_ZNK7CheMPS26CASSCF20fillConstAndTmatDMRGEPNS_11HamiltonianE@Base 1.5
(optional)_ZNK7CheMPS26Irreps12getGroupNameB5cxx11Ev@Base 1.5
- (optional)_ZNK7CheMPS26Irreps12getGroupNameEv@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS26Irreps12getGroupNameEv@Base 1.5
(optional)_ZNK7CheMPS26Irreps12getIrrepNameB5cxx11Ei@Base 1.5
- (optional)_ZNK7CheMPS26Irreps12getIrrepNameEi@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS26Irreps12getIrrepNameEi@Base 1.5
_ZNK7CheMPS26Irreps14getGroupNumberEv@Base 1.5
_ZNK7CheMPS26Irreps14getIsActivatedEv@Base 1.5
_ZNK7CheMPS26Irreps15symm_psi2molproEPi@Base 1.6
@@ -893,7 +893,7 @@
_ZNK7CheMPS28Davidson21GetNumMultiplicationsEv@Base 1.5
_ZNK7CheMPS28TwoIndex3getEiii@Base 1.5
(optional)_ZNK7CheMPS28TwoIndex4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS28TwoIndex4saveESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS28TwoIndex4saveESs@Base 1.5
_ZNK7CheMPS29FourIndex10getPointerEiiiiiiii@Base 1.5
_ZNK7CheMPS29FourIndex12getPtrAllOK1Eiiiiiii@Base 1.5
_ZNK7CheMPS29FourIndex12getPtrAllOK2Eiiiiiii@Base 1.5
@@ -901,7 +901,7 @@
_ZNK7CheMPS29FourIndex18getPtrIrrepOrderOKEiiiiiiii@Base 1.5
_ZNK7CheMPS29FourIndex3getEiiiiiiii@Base 1.5
(optional)_ZNK7CheMPS29FourIndex4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5
- (optional)_ZNK7CheMPS29FourIndex4saveESs@Base 1.5
+#MISSING: 1.6-1+b1# (optional)_ZNK7CheMPS29FourIndex4saveESs@Base 1.5
_ZTIN7CheMPS210InitializeE@Base 1.5
_ZTIN7CheMPS210TensorDiagE@Base 1.5
_ZTIN7CheMPS210TensorSwapE@Base 1.5
dh_shlibdeps -a
dpkg-shlibdeps: warning: symbol __aeabi_atexit@CXXABI_ARM_1.3.3 used by debian/libchemps2-1/usr/lib/arm-linux-gnueabihf/libchemps2.so.1 found in none of the libraries
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-1/usr/lib/arm-linux-gnueabihf/libchemps2.so.1 was not linked against libdl.so.2 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-1/usr/lib/arm-linux-gnueabihf/libchemps2.so.1 was not linked against libz.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-1/usr/lib/arm-linux-gnueabihf/libchemps2.so.1 was not linked against libatlas.so.3 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-1/usr/lib/arm-linux-gnueabihf/libchemps2.so.1 was not linked against libgslcblas.so.0 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: debian/chemps2/usr/bin/chemps2 contains an unresolvable reference to symbol __aeabi_atexit@CXXABI_ARM_1.3.3: it's probably a plugin
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libgomp.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libpthread.so.0 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-chemps2/usr/lib/python2.7/dist-packages/PyCheMPS2.arm-linux-gnueabihf.so was not linked against libpthread.so.0 (it uses none of the library's symbols)
dh_installdeb -a
dh_gencontrol -a
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package libchemps2-1: unused substitution variable ${python:Depends}
dpkg-gencontrol: warning: Depends field of package libchemps2-dev: unknown substitution variable ${shlibs:Depends}
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package libchemps2-dev: unused substitution variable ${python:Depends}
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package chemps2: unused substitution variable ${python:Depends}
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Versions}
dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Provides}
dh_md5sums -a
dh_builddeb -a
dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.6-1+b1_armhf.deb'.
dpkg-deb: building package 'libchemps2-1' in '../libchemps2-1_1.6-1+b1_armhf.deb'.
dpkg-deb: building package 'chemps2' in '../chemps2_1.6-1+b1_armhf.deb'.
dpkg-deb: building package 'python-chemps2' in '../python-chemps2_1.6-1+b1_armhf.deb'.
dpkg-genchanges -B -mRaspbian wandboard test autobuilder <root@raspbian.org> >../chemps2_1.6-1+b1_armhf.changes
dpkg-genchanges: binary-only arch-specific upload (source code and arch-indep packages not included)
dpkg-source --after-build chemps2-1.6
dpkg-buildpackage: binary-only upload (no source included)
────────────────────────────────────────────────────────────────────────────────
Build finished at 20151005-1303
Finished
────────
I: Built successfully
┌──────────────────────────────────────────────────────────────────────────────┐
│ Post Build Chroot │
└──────────────────────────────────────────────────────────────────────────────┘
┌──────────────────────────────────────────────────────────────────────────────┐
│ Changes │
└──────────────────────────────────────────────────────────────────────────────┘
chemps2_1.6-1+b1_armhf.changes:
───────────────────────────────
Format: 1.8
Date: Fri, 28 Aug 2015 10:10:14 -0400
Source: chemps2 (1.6-1)
Binary: libchemps2-1 libchemps2-dev chemps2-doc chemps2 python-chemps2
Binary-Only: yes
Architecture: armhf
Version: 1.6-1+b1
Distribution: stretch-staging
Urgency: low
Maintainer: Raspbian wandboard test autobuilder <root@raspbian.org>
Changed-By: Raspbian wandboard test autobuilder <root@raspbian.org>
Description:
chemps2 - Executable to call libchemps2-1 from the command line
chemps2-doc - Documentation of the libchemps2-1 package
libchemps2-1 - Spin-adapted DMRG for ab initio quantum chemistry
libchemps2-dev - C++ headers, static library, and symlink for libchemps2-1
python-chemps2 - Python 2 interface for libchemps2-1
Changes:
chemps2 (1.6-1+b1) stretch-staging; urgency=low, binary-only=yes
.
* Binary-only non-maintainer upload for armhf; no source changes.
* rebuild due to debcheck failure
Checksums-Sha1:
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37fd73903e14be6adc926cb2783ae8ef80923b4f 258634 libchemps2-1_1.6-1+b1_armhf.deb
7262e94adc3d2c5c59b5aaf9282f1bbc764ce45f 5233644 libchemps2-dev_1.6-1+b1_armhf.deb
3163866b98d334d6331223f0bd7d6ab5bed63cf4 63934 python-chemps2_1.6-1+b1_armhf.deb
Checksums-Sha256:
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a9cb0e2dde02f58bf235937bbd28fc754e1c0d87e2f116a00c5a00045bd22254 5233644 libchemps2-dev_1.6-1+b1_armhf.deb
95c89e08947cd99b67538beef3dd37815332d48d79913a1ef6fb00a5b8f89f3c 63934 python-chemps2_1.6-1+b1_armhf.deb
Files:
c2a2f9ffbaf4a6794fe286a6b60de492 12156 science optional chemps2_1.6-1+b1_armhf.deb
5262426686ad7a73e85e02be952d88ee 258634 libs optional libchemps2-1_1.6-1+b1_armhf.deb
136e886af7c390b89579fe64097e036a 5233644 libdevel optional libchemps2-dev_1.6-1+b1_armhf.deb
0813da0d5d772fc09d0641a9600f4cf4 63934 python optional python-chemps2_1.6-1+b1_armhf.deb
┌──────────────────────────────────────────────────────────────────────────────┐
│ Package contents │
└──────────────────────────────────────────────────────────────────────────────┘
chemps2_1.6-1+b1_armhf.deb
──────────────────────────
new debian package, version 2.0.
size 12156 bytes: control archive=1196 bytes.
1521 bytes, 31 lines control
343 bytes, 5 lines md5sums
Package: chemps2
Source: chemps2 (1.6-1)
Version: 1.6-1+b1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 35
Depends: libc6 (>= 2.4), libchemps2-1 (= 1.6-1+b1), libgcc1 (>= 1:4.4.0), libgomp1 (>= 4.2.1), libstdc++6 (>= 5.2)
Suggests: chemps2-doc
Section: science
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Executable to call libchemps2-1 from the command line
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This method allows one to obtain
numerical accuracy in active spaces beyond the capabilities of
full configuration interaction (FCI).
.
For an input Hamiltonian and targeted symmetry sector, the library
performs successive DMRG sweeps according to a user-defined
convergence scheme. As output, the library returns the minimal
encountered energy as well as the second order reduced density
matrix (2-RDM) of the active space. With the latter, various
molecular properties can be calculated, as well as the gradient and
Hessian for orbital rotations or nuclear displacements. In addition,
several correlation functions can be obtained to investigate the
electronic structure in the active space.
.
This package installs the executable which parses Hamiltonians in
fcidump format, performs DMRG sweeps according to a user-defined
convergence scheme, and writes the 2-RDM as output.
drwxr-xr-x root/root 0 2015-10-05 13:02 ./
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/bin/
-rwxr-xr-x root/root 22168 2015-10-05 13:02 ./usr/bin/chemps2
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/share/
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/share/doc/
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/share/doc/chemps2/
lrwxrwxrwx root/root 0 2015-10-05 13:02 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 218 2015-10-05 12:50 ./usr/share/doc/chemps2/changelog.Debian.armhf.gz
-rw-r--r-- root/root 511 2015-10-05 12:50 ./usr/share/doc/chemps2/changelog.Debian.gz
-rw-r--r-- root/root 555 2015-08-26 22:55 ./usr/share/doc/chemps2/changelog.gz
-rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/chemps2/copyright
libchemps2-1_1.6-1+b1_armhf.deb
───────────────────────────────
new debian package, version 2.0.
size 258634 bytes: control archive=8970 bytes.
1676 bytes, 33 lines control
531 bytes, 7 lines md5sums
135 bytes, 7 lines * postinst #!/bin/sh
132 bytes, 7 lines * postrm #!/bin/sh
26 bytes, 1 lines shlibs
56609 bytes, 1007 lines symbols
Package: libchemps2-1
Source: chemps2 (1.6-1)
Version: 1.6-1+b1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 868
Depends: libatlas3-base, libc6 (>= 2.4), libgcc1 (>= 1:4.4.0), libgomp1 (>= 4.9), libgsl0ldbl (>= 1.9), libhdf5-10, liblapack3 | liblapack.so.3, libstdc++6 (>= 5.2), zlib1g (>= 1:1.1.4)
Suggests: chemps2-doc
Section: libs
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Spin-adapted DMRG for ab initio quantum chemistry
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This method allows one to obtain
numerical accuracy in active spaces beyond the capabilities of
full configuration interaction (FCI): up to 40 electrons in 40
orbitals for general active spaces; and up to 100 electrons in
100 orbitals for one-dimensional active spaces, such as the
pi-system of all-trans polyenes.
.
For an input Hamiltonian and targeted symmetry sector, the library
performs successive DMRG sweeps according to a user-defined
convergence scheme. As output, the library returns the minimal
encountered energy as well as the second order reduced density
matrix (2-RDM) of the active space. With the latter, various
molecular properties can be calculated, as well as the gradient and
Hessian for orbital rotations or nuclear displacements. In addition,
several correlation functions can be obtained to investigate the
electronic structure in the active space.
.
This version of chemps2 is parallelized for shared memory
architectures with OpenMP.
drwxr-xr-x root/root 0 2015-10-05 13:02 ./
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/
drwxr-xr-x root/root 0 2015-10-05 13:01 ./usr/lib/
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/lib/arm-linux-gnueabihf/
-rw-r--r-- root/root 799244 2015-10-05 13:02 ./usr/lib/arm-linux-gnueabihf/libchemps2.so.1
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/share/
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/share/doc/
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/share/doc/libchemps2-1/
lrwxrwxrwx root/root 0 2015-10-05 13:02 ./usr/share/doc/libchemps2-1/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 9159 2015-08-26 22:55 ./usr/share/doc/libchemps2-1/README.md.gz
-rw-r--r-- root/root 218 2015-10-05 12:50 ./usr/share/doc/libchemps2-1/changelog.Debian.armhf.gz
-rw-r--r-- root/root 511 2015-10-05 12:50 ./usr/share/doc/libchemps2-1/changelog.Debian.gz
-rw-r--r-- root/root 555 2015-08-26 22:55 ./usr/share/doc/libchemps2-1/changelog.gz
-rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/libchemps2-1/copyright
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/share/man/
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/share/man/man1/
-rw-r--r-- root/root 2073 2015-10-05 13:02 ./usr/share/man/man1/chemps2.1.gz
libchemps2-dev_1.6-1+b1_armhf.deb
─────────────────────────────────
new debian package, version 2.0.
size 5233644 bytes: control archive=2628 bytes.
1354 bytes, 30 lines control
3969 bytes, 59 lines md5sums
Package: libchemps2-dev
Source: chemps2 (1.6-1)
Version: 1.6-1+b1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 6214
Depends: libchemps2-1 (= 1.6-1+b1)
Suggests: chemps2-doc
Section: libdevel
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: C++ headers, static library, and symlink for libchemps2-1
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This method allows one to obtain
numerical accuracy in active spaces beyond the capabilities of
full configuration interaction (FCI).
.
For an input Hamiltonian and targeted symmetry sector, the library
performs successive DMRG sweeps according to a user-defined
convergence scheme. As output, the library returns the minimal
encountered energy as well as the second order reduced density
matrix (2-RDM) of the active space. With the latter, various
molecular properties can be calculated, as well as the gradient and
Hessian for orbital rotations or nuclear displacements. In addition,
several correlation functions can be obtained to investigate the
electronic structure in the active space.
.
This package installs the C++ headers, static library, and symlink
for libchemps2.
drwxr-xr-x root/root 0 2015-10-05 13:02 ./
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/
drwxr-xr-x root/root 0 2015-10-05 13:02 ./usr/include/
drwxr-xr-x root/root 0 2015-10-05 13:01 ./usr/include/chemps2/
-rw-r--r-- root/root 25662 2015-08-26 22:55 ./usr/include/chemps2/CASSCF.h
-rw-r--r-- root/root 4281 2015-08-26 22:55 ./usr/include/chemps2/ConvergenceScheme.h
-rw-r--r-- root/root 14787 2015-08-26 22:55 ./usr/include/chemps2/Correlations.h
-rw-r--r-- root/root 4535 2015-08-26 22:55 ./usr/include/chemps2/DIIS.h
-rw-r--r-- root/root 11487 2015-08-26 22:55 ./usr/include/chemps2/DMRG.h
-rw-r--r-- root/root 6463 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFVmatRotations.h
-rw-r--r-- root/root 6028 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFindices.h
-rw-r--r-- root/root 10507 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFintegrals.h
-rw-r--r-- root/root 2708 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFmatrix.h
-rw-r--r-- root/root 10235 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFoptions.h
-rw-r--r-- root/root 11873 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFunitary.h
-rw-r--r-- root/root 5006 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFwtilde.h
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python-chemps2_1.6-1+b1_armhf.deb
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Package: python-chemps2
Source: chemps2 (1.6-1)
Version: 1.6-1+b1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 233
Depends: python-numpy (>= 1:1.8.0), python-numpy-abi9, python (<< 2.8), python (>= 2.7~), python:any (>= 2.7.5-5~), libc6 (>= 2.4), libchemps2-1 (= 1.6-1+b1), libgcc1 (>= 1:4.4.0), libstdc++6 (>= 5.2)
Suggests: chemps2-doc
Section: python
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Python 2 interface for libchemps2-1
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This method allows one to obtain
numerical accuracy in active spaces beyond the capabilities of
full configuration interaction (FCI).
.
For an input Hamiltonian and targeted symmetry sector, the library
performs successive DMRG sweeps according to a user-defined
convergence scheme. As output, the library returns the minimal
encountered energy as well as the second order reduced density
matrix (2-RDM) of the active space. With the latter, various
molecular properties can be calculated, as well as the gradient and
Hessian for orbital rotations or nuclear displacements. In addition,
several correlation functions can be obtained to investigate the
electronic structure in the active space.
.
This package installs the library for Python 2.
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Build Architecture: armhf
Build-Space: 49896
Build-Time: 769
Distribution: stretch-staging
Host Architecture: armhf
Install-Time: 809
Job: chemps2_1.6-1
Machine Architecture: armhf
Package: chemps2
Package-Time: 1646
Source-Version: 1.6-1
Space: 49896
Status: successful
Version: 1.6-1+b1
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Finished at 20151005-1303
Build needed 00:27:26, 49896k disc space