chemps2 →
1.7.3-1 →
armhf → 2016-08-06 11:00:21
sbuild (Debian sbuild) 0.66.0 (04 Oct 2015) on bm-wb-04
+==============================================================================+
| chemps2 1.7.3-1 (armhf) 06 Aug 2016 10:28 |
+==============================================================================+
Package: chemps2
Version: 1.7.3-1
Source Version: 1.7.3-1
Distribution: stretch-staging
Machine Architecture: armhf
Host Architecture: armhf
Build Architecture: armhf
I: NOTICE: Log filtering will replace 'build/chemps2-BXL3ot/chemps2-1.7.3' with '<<PKGBUILDDIR>>'
I: NOTICE: Log filtering will replace 'build/chemps2-BXL3ot' with '<<BUILDDIR>>'
I: NOTICE: Log filtering will replace 'var/lib/schroot/mount/stretch-staging-armhf-sbuild-9ff2bbe6-4d13-4219-9c32-7fd76b9e4184' with '<<CHROOT>>'
+------------------------------------------------------------------------------+
| Update chroot |
+------------------------------------------------------------------------------+
Get:1 http://172.17.0.1/private stretch-staging InRelease [11.3 kB]
Get:2 http://172.17.0.1/private stretch-staging/main Sources [9204 kB]
Get:3 http://172.17.0.1/private stretch-staging/main armhf Packages [11.1 MB]
Fetched 20.4 MB in 22s (902 kB/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
+------------------------------------------------------------------------------+
| Fetch source files |
+------------------------------------------------------------------------------+
Check APT
---------
Checking available source versions...
Download source files with APT
------------------------------
Reading package lists...
NOTICE: 'chemps2' packaging is maintained in the 'Git' version control system at:
https://anonscm.debian.org/git/debichem/packages/chemps2.git
Please use:
git clone https://anonscm.debian.org/git/debichem/packages/chemps2.git
to retrieve the latest (possibly unreleased) updates to the package.
Need to get 1257 kB of source archives.
Get:1 http://172.17.0.1/private stretch-staging/main chemps2 1.7.3-1 (dsc) [2444 B]
Get:2 http://172.17.0.1/private stretch-staging/main chemps2 1.7.3-1 (tar) [1242 kB]
Get:3 http://172.17.0.1/private stretch-staging/main chemps2 1.7.3-1 (diff) [12.7 kB]
Fetched 1257 kB in 0s (6593 kB/s)
Download complete and in download only mode
Check architectures
-------------------
Check dependencies
------------------
Merged Build-Depends: build-essential, fakeroot
Filtered Build-Depends: build-essential, fakeroot
dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/<<BUILDDIR>>/resolver-kOMrwX/apt_archive/sbuild-build-depends-core-dummy.deb'.
Warning: apt-key output should not be parsed (stdout is not a terminal)
OK
Get:1 file:/<<BUILDDIR>>/resolver-kOMrwX/apt_archive ./ InRelease
Ign:1 file:/<<BUILDDIR>>/resolver-kOMrwX/apt_archive ./ InRelease
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Get:2 file:/<<BUILDDIR>>/resolver-kOMrwX/apt_archive ./ Release [2119 B]
Get:3 file:/<<BUILDDIR>>/resolver-kOMrwX/apt_archive ./ Release.gpg [299 B]
Get:3 file:/<<BUILDDIR>>/resolver-kOMrwX/apt_archive ./ Release.gpg [299 B]
Get:4 file:/<<BUILDDIR>>/resolver-kOMrwX/apt_archive ./ Sources [214 B]
Get:5 file:/<<BUILDDIR>>/resolver-kOMrwX/apt_archive ./ Packages [526 B]
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
W: file:///<<BUILDDIR>>/resolver-kOMrwX/apt_archive/./Release.gpg: Signature by key 3493EC2B8E6DC280C121C60435506D9A48F77B2E uses weak digest algorithm (SHA1)
Reading package lists...
+------------------------------------------------------------------------------+
| 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
0 upgraded, 1 newly installed, 0 to remove and 53 not upgraded.
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debconf: delaying package configuration, since apt-utils is not installed
Selecting previously unselected package sbuild-build-depends-core-dummy.
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(Reading database ... 13670 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) ...
W: No sandbox user '_apt' on the system, can not drop privileges
Merged Build-Depends: debhelper (>= 9), cmake (>= 2.8.11), libblas-dev, liblapack-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: debhelper (>= 9), cmake (>= 2.8.11), libblas-dev, liblapack-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-rx8G0o/apt_archive/sbuild-build-depends-chemps2-dummy.deb'.
Warning: apt-key output should not be parsed (stdout is not a terminal)
OK
Get:1 file:/<<BUILDDIR>>/resolver-rx8G0o/apt_archive ./ InRelease
Ign:1 file:/<<BUILDDIR>>/resolver-rx8G0o/apt_archive ./ InRelease
Get:2 file:/<<BUILDDIR>>/resolver-rx8G0o/apt_archive ./ Release [2119 B]
Get:2 file:/<<BUILDDIR>>/resolver-rx8G0o/apt_archive ./ Release [2119 B]
Get:3 file:/<<BUILDDIR>>/resolver-rx8G0o/apt_archive ./ Release.gpg [299 B]
Get:3 file:/<<BUILDDIR>>/resolver-rx8G0o/apt_archive ./ Release.gpg [299 B]
Get:4 file:/<<BUILDDIR>>/resolver-rx8G0o/apt_archive ./ Sources [322 B]
Get:5 file:/<<BUILDDIR>>/resolver-rx8G0o/apt_archive ./ Packages [642 B]
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
W: file:///<<BUILDDIR>>/resolver-rx8G0o/apt_archive/./Release.gpg: Signature by key 3493EC2B8E6DC280C121C60435506D9A48F77B2E uses weak digest algorithm (SHA1)
Reading package lists...
+------------------------------------------------------------------------------+
| Install chemps2 build dependencies (apt-based resolver) |
+------------------------------------------------------------------------------+
Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following additional packages will be installed:
autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data
cython debhelper dh-autoreconf dh-python dh-strip-nondeterminism
docutils-common file fonts-mathjax gettext gettext-base gfortran gfortran-5
groff-base hdf5-helpers intltool-debian libaec-dev libaec0
libarchive-zip-perl libarchive13 libblas-common libblas-dev libblas3 libbsd0
libcroco3 libcurl3 libexpat1 libexpat1-dev libffi6
libfile-stripnondeterminism-perl libgfortran-5-dev libgfortran3 libglib2.0-0
libgnutls30 libgssapi-krb5-2 libhdf5-10 libhdf5-cpp-11 libhdf5-dev
libhogweed4 libicu55 libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev
libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1
libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack-dev liblapack3
libldap-2.4-2 liblzo2-2 libmagic-mgc libmagic1 libmpdec2 libnettle6
libnghttp2-14 libp11-kit0 libpipeline1 libpython-dev libpython-stdlib
libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib
libpython3-stdlib libpython3.5-minimal libpython3.5-stdlib librtmp1
libsasl2-2 libsasl2-modules-db libsigsegv2 libsqlite3-0 libssh2-1
libssl1.0.2 libsz2 libtasn1-6 libtool libunistring0 libxml2 m4 man-db
mime-support po-debconf python python-alabaster python-all python-babel
python-babel-localedata python-docutils python-imagesize python-jinja2
python-markupsafe python-minimal python-numpy python-pkg-resources
python-pygments python-roman python-setuptools python-six python-sphinx
python-tz python2.7 python2.7-minimal python3 python3-minimal python3.5
python3.5-minimal sgml-base sphinx-common xml-core zlib1g-dev
Suggested packages:
autoconf-archive gnu-standards autoconf-doc wamerican | wordlist whois
vacation codeblocks eclipse ninja-build cython-doc dh-make gettext-doc
libasprintf-dev libgettextpo-dev gfortran-doc gfortran-5-doc
libgfortran3-dbg groff lrzip liblapack-doc-man liblapack-doc gnutls-bin
krb5-doc krb5-user libhdf5-doc fonts-mathjax-extras fonts-stix
libjs-mathjax-doc libtool-doc gcj-jdk 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 python-dev python-nose python-numpy-dbg python-numpy-doc
ttf-bitstream-vera python-setuptools-doc python-sphinx-rtd-theme dvipng
texlive-latex-extra texlive-fonts-recommended texlive-generic-extra
sphinx-doc python2.7-doc binfmt-support python3-doc python3-tk python3-venv
python3.5-venv python3.5-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 libltdl-dev libmail-sendmail-perl python-pil libpaper-utils
docutils-doc python-chardet
The following NEW packages will be installed:
autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data
cython debhelper dh-autoreconf dh-python dh-strip-nondeterminism
docutils-common file fonts-mathjax gettext gettext-base gfortran gfortran-5
groff-base hdf5-helpers intltool-debian libaec-dev libaec0
libarchive-zip-perl libarchive13 libblas-common libblas-dev libblas3 libbsd0
libcroco3 libcurl3 libexpat1 libexpat1-dev libffi6
libfile-stripnondeterminism-perl libgfortran-5-dev libgfortran3 libglib2.0-0
libgnutls30 libgssapi-krb5-2 libhdf5-10 libhdf5-cpp-11 libhdf5-dev
libhogweed4 libicu55 libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev
libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1
libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack-dev liblapack3
libldap-2.4-2 liblzo2-2 libmagic-mgc libmagic1 libmpdec2 libnettle6
libnghttp2-14 libp11-kit0 libpipeline1 libpython-dev libpython-stdlib
libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib
libpython3-stdlib libpython3.5-minimal libpython3.5-stdlib librtmp1
libsasl2-2 libsasl2-modules-db libsigsegv2 libsqlite3-0 libssh2-1
libssl1.0.2 libsz2 libtasn1-6 libtool libunistring0 libxml2 m4 man-db
mime-support po-debconf python python-alabaster python-all python-babel
python-babel-localedata python-docutils python-imagesize python-jinja2
python-markupsafe python-minimal python-numpy python-pkg-resources
python-pygments python-roman python-setuptools python-six python-sphinx
python-tz python2.7 python2.7-minimal python3 python3-minimal python3.5
python3.5-minimal sbuild-build-depends-chemps2-dummy sgml-base sphinx-common
xml-core zlib1g-dev
0 upgraded, 123 newly installed, 0 to remove and 53 not upgraded.
Need to get 105 MB/112 MB of archives.
After this operation, 401 MB of additional disk space will be used.
Get:1 file:/<<BUILDDIR>>/resolver-rx8G0o/apt_archive ./ sbuild-build-depends-chemps2-dummy 0.invalid.0 [888 B]
Get:2 http://172.17.0.1/private stretch-staging/main armhf groff-base armhf 1.22.3-8 [1087 kB]
Get:3 http://172.17.0.1/private stretch-staging/main armhf libbsd0 armhf 0.8.3-1 [89.0 kB]
Get:4 http://172.17.0.1/private stretch-staging/main armhf bsdmainutils armhf 9.0.10 [177 kB]
Get:5 http://172.17.0.1/private stretch-staging/main armhf libpipeline1 armhf 1.4.1-2 [23.7 kB]
Get:6 http://172.17.0.1/private stretch-staging/main armhf man-db armhf 2.7.5-1 [975 kB]
Get:7 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-minimal armhf 2.7.12-1 [387 kB]
Get:8 http://172.17.0.1/private stretch-staging/main armhf python2.7-minimal armhf 2.7.12-1 [1167 kB]
Get:9 http://172.17.0.1/private stretch-staging/main armhf python-minimal armhf 2.7.11-2 [40.3 kB]
Get:10 http://172.17.0.1/private stretch-staging/main armhf mime-support all 3.60 [36.7 kB]
Get:11 http://172.17.0.1/private stretch-staging/main armhf libexpat1 armhf 2.2.0-1 [61.7 kB]
Get:12 http://172.17.0.1/private stretch-staging/main armhf libsqlite3-0 armhf 3.13.0-1 [479 kB]
Get:13 http://172.17.0.1/private stretch-staging/main armhf libssl1.0.2 armhf 1.0.2h-1 [889 kB]
Get:14 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-stdlib armhf 2.7.12-1 [1844 kB]
Get:15 http://172.17.0.1/private stretch-staging/main armhf python2.7 armhf 2.7.12-1 [276 kB]
Get:16 http://172.17.0.1/private stretch-staging/main armhf libpython-stdlib armhf 2.7.11-2 [19.8 kB]
Get:17 http://172.17.0.1/private stretch-staging/main armhf python armhf 2.7.11-2 [153 kB]
Get:18 http://172.17.0.1/private stretch-staging/main armhf cmake-data all 3.5.2-2 [1128 kB]
Get:19 http://172.17.0.1/private stretch-staging/main armhf liblzo2-2 armhf 2.08-1.2 [47.6 kB]
Get:20 http://172.17.0.1/private stretch-staging/main armhf libnettle6 armhf 3.2-1 [202 kB]
Get:21 http://172.17.0.1/private stretch-staging/main armhf libxml2 armhf 2.9.4+dfsg1-1 [804 kB]
Get:22 http://172.17.0.1/private stretch-staging/main armhf libarchive13 armhf 3.2.1-2 [250 kB]
Get:23 http://172.17.0.1/private stretch-staging/main armhf libkeyutils1 armhf 1.5.9-9 [11.9 kB]
Get:24 http://172.17.0.1/private stretch-staging/main armhf libkrb5support0 armhf 1.14.2+dfsg-1 [57.2 kB]
Get:25 http://172.17.0.1/private stretch-staging/main armhf libk5crypto3 armhf 1.14.2+dfsg-1 [111 kB]
Get:26 http://172.17.0.1/private stretch-staging/main armhf libkrb5-3 armhf 1.14.2+dfsg-1 [261 kB]
Get:27 http://172.17.0.1/private stretch-staging/main armhf libgssapi-krb5-2 armhf 1.14.2+dfsg-1 [131 kB]
Get:28 http://172.17.0.1/private stretch-staging/main armhf libhogweed4 armhf 3.2-1 [126 kB]
Get:29 http://172.17.0.1/private stretch-staging/main armhf libp11-kit0 armhf 0.23.2-3 [93.3 kB]
Get:30 http://172.17.0.1/private stretch-staging/main armhf libtasn1-6 armhf 4.8-1 [44.1 kB]
Get:31 http://172.17.0.1/private stretch-staging/main armhf libgnutls30 armhf 3.5.2-2 [721 kB]
Get:32 http://172.17.0.1/private stretch-staging/main armhf libsasl2-modules-db armhf 2.1.26.dfsg1-15 [65.6 kB]
Get:33 http://172.17.0.1/private stretch-staging/main armhf libsasl2-2 armhf 2.1.26.dfsg1-15 [96.7 kB]
Get:34 http://172.17.0.1/private stretch-staging/main armhf libldap-2.4-2 armhf 2.4.42+dfsg-2+rpi1+b2 [198 kB]
Get:35 http://172.17.0.1/private stretch-staging/main armhf libnghttp2-14 armhf 1.13.0-1 [68.7 kB]
Get:36 http://172.17.0.1/private stretch-staging/main armhf librtmp1 armhf 2.4+20151223.gitfa8646d.1-1 [54.2 kB]
Get:37 http://172.17.0.1/private stretch-staging/main armhf libssh2-1 armhf 1.7.0-1 [125 kB]
Get:38 http://172.17.0.1/private stretch-staging/main armhf libcurl3 armhf 7.47.0-1 [247 kB]
Get:39 http://172.17.0.1/private stretch-staging/main armhf libjsoncpp1 armhf 1.7.2-1 [65.2 kB]
Get:40 http://172.17.0.1/private stretch-staging/main armhf cmake armhf 3.5.2-2 [2195 kB]
Get:41 http://172.17.0.1/private stretch-staging/main armhf libpython3.5-minimal armhf 3.5.2-2 [562 kB]
Get:42 http://172.17.0.1/private stretch-staging/main armhf python3.5-minimal armhf 3.5.2-2 [1424 kB]
Get:43 http://172.17.0.1/private stretch-staging/main armhf python3-minimal armhf 3.5.1-4 [35.3 kB]
Get:44 http://172.17.0.1/private stretch-staging/main armhf libmpdec2 armhf 2.4.2-1 [67.5 kB]
Get:45 http://172.17.0.1/private stretch-staging/main armhf libpython3.5-stdlib armhf 3.5.2-2 [2082 kB]
Get:46 http://172.17.0.1/private stretch-staging/main armhf python3.5 armhf 3.5.2-2 [210 kB]
Get:47 http://172.17.0.1/private stretch-staging/main armhf libpython3-stdlib armhf 3.5.1-4 [18.6 kB]
Get:48 http://172.17.0.1/private stretch-staging/main armhf dh-python all 2.20160721 [82.2 kB]
Get:49 http://172.17.0.1/private stretch-staging/main armhf python3 armhf 3.5.1-4 [21.7 kB]
Get:50 http://172.17.0.1/private stretch-staging/main armhf sgml-base all 1.28 [14.7 kB]
Get:51 http://172.17.0.1/private stretch-staging/main armhf libmagic-mgc armhf 1:5.28-4 [210 kB]
Get:52 http://172.17.0.1/private stretch-staging/main armhf libmagic1 armhf 1:5.28-4 [104 kB]
Get:53 http://172.17.0.1/private stretch-staging/main armhf file armhf 1:5.28-4 [62.7 kB]
Get:54 http://172.17.0.1/private stretch-staging/main armhf gettext-base armhf 0.19.8.1-1 [117 kB]
Get:55 http://172.17.0.1/private stretch-staging/main armhf libpython2.7 armhf 2.7.12-1 [907 kB]
Get:56 http://172.17.0.1/private stretch-staging/main armhf libsigsegv2 armhf 2.10-5 [28.4 kB]
Get:57 http://172.17.0.1/private stretch-staging/main armhf m4 armhf 1.4.17-5 [239 kB]
Get:58 http://172.17.0.1/private stretch-staging/main armhf autoconf all 2.69-10 [338 kB]
Get:59 http://172.17.0.1/private stretch-staging/main armhf autotools-dev all 20160430.1 [72.6 kB]
Get:60 http://172.17.0.1/private stretch-staging/main armhf automake all 1:1.15-4 [735 kB]
Get:61 http://172.17.0.1/private stretch-staging/main armhf autopoint all 0.19.8.1-1 [433 kB]
Get:62 http://172.17.0.1/private stretch-staging/main armhf cython armhf 0.23.4+git4-g7eed8d8-2 [1452 kB]
Get:63 http://172.17.0.1/private stretch-staging/main armhf libglib2.0-0 armhf 2.48.1-2 [2546 kB]
Get:64 http://172.17.0.1/private stretch-staging/main armhf libcroco3 armhf 0.6.11-1 [131 kB]
Get:65 http://172.17.0.1/private stretch-staging/main armhf libunistring0 armhf 0.9.6+really0.9.3-0.1 [252 kB]
Get:66 http://172.17.0.1/private stretch-staging/main armhf gettext armhf 0.19.8.1-1 [1433 kB]
Get:67 http://172.17.0.1/private stretch-staging/main armhf intltool-debian all 0.35.0+20060710.4 [26.3 kB]
Get:68 http://172.17.0.1/private stretch-staging/main armhf po-debconf all 1.0.19 [249 kB]
Get:69 http://172.17.0.1/private stretch-staging/main armhf libarchive-zip-perl all 1.57-1 [95.1 kB]
Get:70 http://172.17.0.1/private stretch-staging/main armhf libfile-stripnondeterminism-perl all 0.022-1 [13.1 kB]
Get:71 http://172.17.0.1/private stretch-staging/main armhf dh-strip-nondeterminism all 0.022-1 [7902 B]
Get:72 http://172.17.0.1/private stretch-staging/main armhf libtool all 2.4.6-0.1 [200 kB]
Get:73 http://172.17.0.1/private stretch-staging/main armhf dh-autoreconf all 12 [15.8 kB]
Get:74 http://172.17.0.1/private stretch-staging/main armhf debhelper all 9.20160709 [799 kB]
Get:75 http://172.17.0.1/private stretch-staging/main armhf docutils-common all 0.12+dfsg-1 [185 kB]
Get:76 http://172.17.0.1/private stretch-staging/main armhf fonts-mathjax all 2.6.1-1 [959 kB]
Get:77 http://172.17.0.1/private stretch-staging/main armhf libgfortran3 armhf 6.1.1-1+rpi1 [166 kB]
Get:78 http://172.17.0.1/private stretch-staging/main armhf libgfortran-5-dev armhf 5.4.0-4 [182 kB]
Get:79 http://172.17.0.1/private stretch-staging/main armhf gfortran-5 armhf 5.4.0-4 [23.7 MB]
Get:80 http://172.17.0.1/private stretch-staging/main armhf gfortran armhf 4:5.3.1-3 [1370 B]
Get:81 http://172.17.0.1/private stretch-staging/main armhf hdf5-helpers armhf 1.8.16+docs-8 [35.3 kB]
Get:82 http://172.17.0.1/private stretch-staging/main armhf libaec0 armhf 0.3.2-1 [19.4 kB]
Get:83 http://172.17.0.1/private stretch-staging/main armhf libblas-common armhf 3.6.1-2 [13.9 kB]
Get:84 http://172.17.0.1/private stretch-staging/main armhf libblas3 armhf 3.6.1-2 [112 kB]
Get:85 http://172.17.0.1/private stretch-staging/main armhf libblas-dev armhf 3.6.1-2 [18.9 kB]
Get:86 http://172.17.0.1/private stretch-staging/main armhf libexpat1-dev armhf 2.2.0-1 [117 kB]
Get:87 http://172.17.0.1/private stretch-staging/main armhf libsz2 armhf 0.3.2-1 [5836 B]
Get:88 http://172.17.0.1/private stretch-staging/main armhf libhdf5-10 armhf 1.8.16+docs-8 [981 kB]
Get:89 http://172.17.0.1/private stretch-staging/main armhf libhdf5-cpp-11 armhf 1.8.16+docs-8 [115 kB]
Get:90 http://172.17.0.1/private stretch-staging/main armhf zlib1g-dev armhf 1:1.2.8.dfsg-2+b1 [197 kB]
Get:91 http://172.17.0.1/private stretch-staging/main armhf libjpeg62-turbo armhf 1:1.5.0-1 [109 kB]
Get:92 http://172.17.0.1/private stretch-staging/main armhf libjpeg62-turbo-dev armhf 1:1.5.0-1 [181 kB]
Get:93 http://172.17.0.1/private stretch-staging/main armhf libjpeg-dev all 1:1.5.0-1 [54.8 kB]
Get:94 http://172.17.0.1/private stretch-staging/main armhf libaec-dev armhf 0.3.2-1 [17.6 kB]
Get:95 http://172.17.0.1/private stretch-staging/main armhf libhdf5-dev armhf 1.8.16+docs-8 [4909 kB]
Get:96 http://172.17.0.1/private stretch-staging/main armhf libjs-jquery all 1.12.4-1 [167 kB]
Get:97 http://172.17.0.1/private stretch-staging/main armhf libjs-underscore all 1.7.0~dfsg-1 [49.9 kB]
Get:98 http://172.17.0.1/private stretch-staging/main armhf libjs-sphinxdoc all 1.4.5-1 [66.2 kB]
Get:99 http://172.17.0.1/private stretch-staging/main armhf liblapack3 armhf 3.6.1-2 [1392 kB]
Get:100 http://172.17.0.1/private stretch-staging/main armhf liblapack-dev armhf 3.6.1-2 [1379 kB]
Get:101 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-dev armhf 2.7.12-1 [27.1 MB]
Get:102 http://172.17.0.1/private stretch-staging/main armhf libpython-dev armhf 2.7.11-2 [19.8 kB]
Get:103 http://172.17.0.1/private stretch-staging/main armhf python-all armhf 2.7.11-2 [940 B]
Get:104 http://172.17.0.1/private stretch-staging/main armhf python-babel-localedata all 2.3.4+dfsg.1-2 [3402 kB]
Get:105 http://172.17.0.1/private stretch-staging/main armhf python-pkg-resources all 20.10.1-1.1 [141 kB]
Get:106 http://172.17.0.1/private stretch-staging/main armhf python-tz all 2015.7+dfsg-0.1 [33.6 kB]
Get:107 http://172.17.0.1/private stretch-staging/main armhf python-babel all 2.3.4+dfsg.1-2 [82.5 kB]
Get:108 http://172.17.0.1/private stretch-staging/main armhf python-roman all 2.0.0-2 [8130 B]
Get:109 http://172.17.0.1/private stretch-staging/main armhf python-docutils all 0.12+dfsg-1 [361 kB]
Get:110 http://172.17.0.1/private stretch-staging/main armhf python-imagesize all 0.7.1-1 [3814 B]
Get:111 http://172.17.0.1/private stretch-staging/main armhf python-markupsafe armhf 0.23-2+b1 [15.7 kB]
Get:112 http://172.17.0.1/private stretch-staging/main armhf python-jinja2 all 2.8-1 [111 kB]
Get:113 http://172.17.0.1/private stretch-staging/main armhf python-numpy armhf 1:1.11.1~rc1-1 [1599 kB]
Get:114 http://172.17.0.1/private stretch-staging/main armhf python-pygments all 2.1.3+dfsg-1 [535 kB]
Get:115 http://172.17.0.1/private stretch-staging/main armhf python-setuptools all 20.10.1-1.1 [203 kB]
Get:116 http://172.17.0.1/private stretch-staging/main armhf python-six all 1.10.0-3 [14.4 kB]
Get:117 http://172.17.0.1/private stretch-staging/main armhf python-alabaster all 0.7.8-1 [18.4 kB]
Get:118 http://172.17.0.1/private stretch-staging/main armhf sphinx-common all 1.4.5-1 [347 kB]
Get:119 http://172.17.0.1/private stretch-staging/main armhf python-sphinx all 1.4.5-1 [429 kB]
Get:120 http://172.17.0.1/private stretch-staging/main armhf libjs-mathjax all 2.6.1-1 [5473 kB]
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W: No sandbox user '_apt' on the system, can not drop privileges
+------------------------------------------------------------------------------+
| Build environment |
+------------------------------------------------------------------------------+
Kernel: Linux 3.19.0-trunk-armmp armhf (armv7l)
Toolchain package versions: binutils_2.26.1-1 dpkg-dev_1.18.7 g++-5_5.4.0-4 gcc-5_5.4.0-4 libc6-dev_2.23-1+rpi1 libstdc++-4.9-dev_4.9.3-14 libstdc++-5-dev_5.4.0-4 libstdc++6_6.1.1-1+rpi1 linux-libc-dev_3.18.5-1~exp1+rpi19+stretch
Package versions: acl_2.2.52-3 adduser_3.115 apt_1.3~pre2 autoconf_2.69-10 automake_1:1.15-4 autopoint_0.19.8.1-1 autotools-dev_20160430.1 base-files_9.6+rpi1 base-passwd_3.5.39 bash_4.3-15 binutils_2.26.1-1 bsdmainutils_9.0.10 bsdutils_1:2.28-5 build-essential_11.7 bzip2_1.0.6-8 cmake_3.5.2-2 cmake-data_3.5.2-2 coreutils_8.25-2 cpio_2.11+dfsg-5 cpp_4:5.3.1-3 cpp-5_5.4.0-4 cython_0.23.4+git4-g7eed8d8-2 dash_0.5.8-2.3 debconf_1.5.59 debfoster_2.7-2 debhelper_9.20160709 debianutils_4.8 dh-autoreconf_12 dh-python_2.20160721 dh-strip-nondeterminism_0.022-1 diffutils_1:3.3-3 dmsetup_2:1.02.127-1 docutils-common_0.12+dfsg-1 dpkg_1.18.7 dpkg-dev_1.18.7 e2fslibs_1.43.1-1 e2fsprogs_1.43.1-1 fakeroot_1.21-1 file_1:5.28-4 findutils_4.6.0+git+20160517-5 fonts-mathjax_2.6.1-1 fuse2fs_1.43.1-1 g++_4:5.3.1-3 g++-5_5.4.0-4 gcc_4:5.3.1-3 gcc-4.6-base_4.6.4-5+rpi1 gcc-4.7-base_4.7.3-11+rpi1 gcc-4.8-base_4.8.5-4 gcc-4.9-base_4.9.3-14 gcc-5_5.4.0-4 gcc-5-base_5.4.0-4 gcc-6-base_6.1.1-1+rpi1 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perl-base_5.22.2-2 perl-modules-5.22_5.22.2-2 po-debconf_1.0.19 procps_2:3.3.11-3 python_2.7.11-2 python-alabaster_0.7.8-1 python-all_2.7.11-2 python-babel_2.3.4+dfsg.1-2 python-babel-localedata_2.3.4+dfsg.1-2 python-docutils_0.12+dfsg-1 python-imagesize_0.7.1-1 python-jinja2_2.8-1 python-markupsafe_0.23-2+b1 python-minimal_2.7.11-2 python-numpy_1:1.11.1~rc1-1 python-pkg-resources_20.10.1-1.1 python-pygments_2.1.3+dfsg-1 python-roman_2.0.0-2 python-setuptools_20.10.1-1.1 python-six_1.10.0-3 python-sphinx_1.4.5-1 python-tz_2015.7+dfsg-0.1 python2.7_2.7.12-1 python2.7-minimal_2.7.12-1 python3_3.5.1-4 python3-minimal_3.5.1-4 python3.5_3.5.2-2 python3.5-minimal_3.5.2-2 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_4.2.2-7.1 sensible-utils_0.0.9 sgml-base_1.28 sphinx-common_1.4.5-1 startpar_0.59-3 systemd_230-5 systemd-sysv_230-5 sysv-rc_2.88dsf-59.7 sysvinit-utils_2.88dsf-59.7 tar_1.29-1+rpi1 tzdata_2016f-1 udev_230-5 util-linux_2.28-5 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 Tue Jul 26 09:46:39 2016 UTC using RSA key ID 669CE1C2
gpgv: Can't check signature: public key not found
dpkg-source: warning: failed to verify signature on ./chemps2_1.7.3-1.dsc
dpkg-source: info: extracting chemps2 in chemps2-1.7.3
dpkg-source: info: unpacking chemps2_1.7.3.orig.tar.gz
dpkg-source: info: unpacking chemps2_1.7.3-1.debian.tar.xz
Check disc space
----------------
Sufficient free space for build
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-9ff2bbe6-4d13-4219-9c32-7fd76b9e4184
SCHROOT_UID=104
SCHROOT_USER=buildd
SHELL=/bin/sh
USER=buildd
dpkg-buildpackage
-----------------
dpkg-buildpackage: info: source package chemps2
dpkg-buildpackage: info: source version 1.7.3-1
dpkg-buildpackage: info: source distribution unstable
dpkg-source --before-build chemps2-1.7.3
dpkg-buildpackage: info: 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
dh_update_autotools_config -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_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -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 5.4.0
-- The CXX compiler identification is GNU 5.4.0
-- 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 sgemm_
-- Looking for sgemm_ - found
-- Looking for pthread.h
-- Looking for 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/libsz.so;/usr/lib/arm-linux-gnueabihf/libz.so;/usr/lib/arm-linux-gnueabihf/libdl.so;/usr/lib/arm-linux-gnueabihf/libm.so (found version "1.8.16")
-- 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/CASPT2.cpp.o
[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o
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[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o
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[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o
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[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o
[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o
[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o
[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o
[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o
[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o
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[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o
[ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o
[ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o
[ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o
[ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o
[ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o
[ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o
[ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o
[ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o
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[ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o
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[ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o
[ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o
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[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o
[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o
[ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o
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make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 66%] Linking CXX shared library libchemps2.so
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 66%] Built target chemps2-shared
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2bin
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 67%] Building CXX object CheMPS2/CMakeFiles/chemps2bin.dir/executable.cpp.o
[ 68%] Linking CXX executable chemps2
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 68%] Built target chemps2bin
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'
[ 69%] Linking CXX static library libchemps2.a
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASPT2.cpp.o: plugin needed to handle lto object
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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 v1.4.5
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 13 source files that are out of date
updating environment: 13 added, 0 changed, 0 removed
reading sources... [ 7%] caspt2
reading sources... [ 15%] dmrgscf
reading sources... [ 23%] dmrgscfcalcs
reading sources... [ 30%] handson
reading sources... [ 38%] index
reading sources... [ 46%] inoutput
reading sources... [ 53%] interfaces
reading sources... [ 61%] matrixelements
reading sources... [ 69%] method
reading sources... [ 76%] publications
reading sources... [ 84%] resources
reading sources... [ 92%] sourcecode
reading sources... [100%] symmetry
looking for now-outdated files... none found
pickling environment... done
checking consistency... done
preparing documents... done
writing output... [ 7%] caspt2
writing output... [ 15%] dmrgscf
writing output... [ 23%] dmrgscfcalcs
writing output... [ 30%] handson
writing output... [ 38%] index
writing output... [ 46%] inoutput
writing output... [ 53%] interfaces
writing output... [ 61%] matrixelements
writing output... [ 69%] method
writing output... [ 76%] publications
writing output... [ 84%] resources
writing output... [ 92%] sourcecode
writing output... [100%] symmetry
generating indices... genindex
writing additional pages... search
copying images... [ 12%] Comparison.png
copying images... [ 25%] handson_orbitals.png
copying images... [ 37%] single_node_h2o.png
copying images... [ 50%] ComparisonN2.png
copying images... [ 62%] handson_comparison.png
copying images... [ 75%] ExtrapolationN2reorder.png
copying images... [ 87%] polyene_scaling.png
copying images... [100%] multi_node_h2o.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 -Wdate-time -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:1777:0,
from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarrayobject.h:18,
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 " \
^
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 -Wdate-time -D_FORTIFY_SOURCE=2 -g -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -g -O2 -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -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 8.13 sec
Start 5: test5
2/3 Test #5: test5 ............................ Passed 14.70 sec
Start 8: test8
3/3 Test #8: test8 ............................ Passed 11.78 sec
100% tests passed, 0 tests failed out of 3
Total Test time (real) = 34.62 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
CheMPS2::Hamiltonian : Reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP
CheMPS2::Hamiltonian : Finished reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 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 -100.959597181172
Stats: nIt(DAVIDSON) = 18
Energy at sites (7, 8) is -106.852018441747
Stats: nIt(DAVIDSON) = 52
Energy at sites (6, 7) is -106.882365090203
Stats: nIt(DAVIDSON) = 57
Energy at sites (5, 6) is -106.906930343765
Stats: nIt(DAVIDSON) = 40
Energy at sites (4, 5) is -107.635191667501
Stats: nIt(DAVIDSON) = 26
Energy at sites (3, 4) is -107.64801922721
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.64801922721
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.64801922721
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 3.407846 seconds
*** |--> S.join = 0.002944 seconds
*** |--> S.solve = 3.121542 seconds
*** |--> S.split = 0.010393 seconds
*** |--> Tensor update = 0.269634 seconds
*** |--> create = 0.090331 seconds
*** |--> destroy = 0.004926 seconds
*** |--> disk write = 0.081108 seconds
*** |--> disk read = 0.058459 seconds
*** |--> calc = 0.03458 seconds
*** Disk write bandwidth = 7.22444627143554 MB/s
*** Disk read bandwidth = 10.0573740700614 MB/s
*** Minimum energy = -107.64801922721
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.64801922721
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.64801922721
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.64801922721
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.64801922721
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.648036005329
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.64825050507
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.64825050507
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.64825050507
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.630824 seconds
*** |--> S.join = 0.004319 seconds
*** |--> S.solve = 0.325087 seconds
*** |--> S.split = 0.009454 seconds
*** |--> Tensor update = 0.28837 seconds
*** |--> create = 0.089659 seconds
*** |--> destroy = 0.007937 seconds
*** |--> disk write = 0.091445 seconds
*** |--> disk read = 0.058233 seconds
*** |--> calc = 0.04085 seconds
*** Disk write bandwidth = 6.4294825388126 MB/s
*** Disk read bandwidth = 10.0623424550271 MB/s
*** Minimum energy = -107.64825050507
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.64825050507
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.64825050507
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.64825050507
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.64825050507
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.64825050507
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.64825087059
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.648250972405
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972405
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972405
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.538407 seconds
*** |--> S.join = 0.003247 seconds
*** |--> S.solve = 0.210919 seconds
*** |--> S.split = 0.011907 seconds
*** |--> Tensor update = 0.308776 seconds
*** |--> create = 0.089585 seconds
*** |--> destroy = 0.006269 seconds
*** |--> disk write = 0.08983 seconds
*** |--> disk read = 0.058663 seconds
*** |--> calc = 0.064183 seconds
*** Disk write bandwidth = 6.52299218728257 MB/s
*** Disk read bandwidth = 10.0223996515984 MB/s
*** Minimum energy = -107.648250972405
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250972405
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972405
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972405
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250972405
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.648250972508
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.648250974
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250974
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.427086 seconds
*** |--> S.join = 0.006361 seconds
*** |--> S.solve = 0.141361 seconds
*** |--> S.split = 0.009326 seconds
*** |--> Tensor update = 0.266483 seconds
*** |--> create = 0.08894 seconds
*** |--> destroy = 0.00501 seconds
*** |--> disk write = 0.081828 seconds
*** |--> disk read = 0.058112 seconds
*** |--> calc = 0.032366 seconds
*** Disk write bandwidth = 7.18512038375273 MB/s
*** Disk read bandwidth = 10.0832941248553 MB/s
*** Minimum energy = -107.648250974
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.68930011265911e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.648250974
*** Minimum energy encountered during the last sweep = -107.648250974
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.648250974
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.648250974001
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -107.648250974003
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250974003
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.648250974007
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974013
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.949459 seconds
*** |--> S.join = 0.006807 seconds
*** |--> S.solve = 0.659385 seconds
*** |--> S.split = 0.010865 seconds
*** |--> Tensor update = 0.268766 seconds
*** |--> create = 0.088187 seconds
*** |--> destroy = 0.005083 seconds
*** |--> disk write = 0.080704 seconds
*** |--> disk read = 0.058463 seconds
*** |--> calc = 0.036048 seconds
*** Disk write bandwidth = 7.26061147134707 MB/s
*** Disk read bandwidth = 10.0566859511438 MB/s
*** Minimum energy = -107.648250974013
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250974013
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.648250974013
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250974013
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.605969 seconds
*** |--> S.join = 0.002534 seconds
*** |--> S.solve = 0.323712 seconds
*** |--> S.split = 0.009227 seconds
*** |--> Tensor update = 0.266918 seconds
*** |--> create = 0.08899 seconds
*** |--> destroy = 0.005014 seconds
*** |--> disk write = 0.081934 seconds
*** |--> disk read = 0.05832 seconds
*** |--> calc = 0.032426 seconds
*** Disk write bandwidth = 7.17582481950983 MB/s
*** Disk read bandwidth = 10.0473317589779 MB/s
*** Minimum energy = -107.648250974014
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.31876731757075e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.648250974014
*** Minimum energy encountered during the last sweep = -107.648250974014
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013
NOON of irrep Ag = [ 1.99999530444282 , 1.99487994119981 , 1.98267954078278 ].
NOON of irrep B2g = [ 0.0748715526069139 ].
NOON of irrep B3g = [ 0.0748715521321218 ].
NOON of irrep B1u = [ 1.99999681839217 , 1.98658242707315 , 0.018807971192899 ].
NOON of irrep B2u = [ 1.93365744607851 ].
NOON of irrep B3u = [ 1.93365744609882 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009429289943 , 0.0515866787246206 , 0.0764971077877003 , 0.257716819438415 , 0.257716818721878 , 8.47155301869697e-05 , 0.0462800405447091 , 0.10073630326665 , 0.241506019900122 , 0.241506019704925 ].
Idistance(0) = 1.30939331290304
Idistance(1) = 5.42402999647894
Idistance(2) = 26.7355488183278
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.977513 seconds
*** |--> MPS gauge change = 0.055878 seconds
*** |--> Diagram calc = 0.056084 seconds
*** |--> Tensor update = 0.857613 seconds
*** |--> create = 0.209394 seconds
*** |--> destroy = 0.012786 seconds
*** |--> disk write = 0.345193 seconds
*** |--> disk read = 0.140378 seconds
*** |--> calc = 0.14873 seconds
*** Disk write bandwidth = 3.44916626860282 MB/s
*** Disk read bandwidth = 8.48158580231811 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1824
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0625 MB memory.
FCI::matvec : Wall time = 0.024291 seconds
FCI::matvec : Wall time = 0.024026 seconds
FCI::matvec : Wall time = 0.024086 seconds
FCI::matvec : Wall time = 0.02404 seconds
FCI::matvec : Wall time = 0.024067 seconds
FCI::matvec : Wall time = 0.024133 seconds
FCI::matvec : Wall time = 0.024106 seconds
FCI::matvec : Wall time = 0.024103 seconds
FCI::matvec : Wall time = 0.024123 seconds
FCI::matvec : Wall time = 0.024145 seconds
FCI::matvec : Wall time = 0.026378 seconds
FCI::matvec : Wall time = 0.02576 seconds
FCI::matvec : Wall time = 0.054081 seconds
FCI::matvec : Wall time = 0.162989 seconds
FCI::matvec : Wall time = 0.058526 seconds
FCI::matvec : Wall time = 0.024162 seconds
FCI::matvec : Wall time = 0.024211 seconds
FCI::matvec : Wall time = 0.024181 seconds
FCI::GSDavidson : Converged ground state energy = -107.648250974013
FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.09208528450249e-20 and intended S(S+1) = 0
RMS difference FCI and DMRG determinant coefficients = 1.46162115417e-08
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 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 -103.919852070767
Stats: nIt(DAVIDSON) = 32
Energy at sites (7, 8) is -106.32097658274
Stats: nIt(DAVIDSON) = 42
Energy at sites (6, 7) is -106.37129713772
Stats: nIt(DAVIDSON) = 63
Energy at sites (5, 6) is -107.318005381935
Stats: nIt(DAVIDSON) = 48
Energy at sites (4, 5) is -107.325599650934
Stats: nIt(DAVIDSON) = 22
Energy at sites (3, 4) is -107.32876331007
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.328764801018
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328764801018
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 5.30937 seconds
*** |--> S.join = 0.00679 seconds
*** |--> S.solve = 4.967776 seconds
*** |--> S.split = 0.014344 seconds
*** |--> Tensor update = 0.316817 seconds
*** |--> create = 0.113663 seconds
*** |--> destroy = 0.005132 seconds
*** |--> disk write = 0.083797 seconds
*** |--> disk read = 0.063068 seconds
*** |--> calc = 0.050922 seconds
*** Disk write bandwidth = 10.0818137239866 MB/s
*** Disk read bandwidth = 13.3380126566018 MB/s
*** Minimum energy = -107.328764801018
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328764801018
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328764801018
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328764801018
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.32876480266
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.328767015752
Stats: nIt(DAVIDSON) = 7
Energy at sites (5, 6) is -107.328768892085
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768892085
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768892085
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.863731 seconds
*** |--> S.join = 0.004688 seconds
*** |--> S.solve = 0.479186 seconds
*** |--> S.split = 0.017216 seconds
*** |--> Tensor update = 0.354836 seconds
*** |--> create = 0.137398 seconds
*** |--> destroy = 0.005209 seconds
*** |--> disk write = 0.088679 seconds
*** |--> disk read = 0.074763 seconds
*** |--> calc = 0.048558 seconds
*** Disk write bandwidth = 9.4859186755214 MB/s
*** Disk read bandwidth = 11.3000514242193 MB/s
*** Minimum energy = -107.328768892085
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.328768892085
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.328768892085
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768892085
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768892085
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768892085
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.328768892455
Stats: nIt(DAVIDSON) = 3
Energy at sites (3, 4) is -107.328768897985
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768897985
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897985
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.510005 seconds
*** |--> S.join = 0.003853 seconds
*** |--> S.solve = 0.179392 seconds
*** |--> S.split = 0.013051 seconds
*** |--> Tensor update = 0.310124 seconds
*** |--> create = 0.102112 seconds
*** |--> destroy = 0.005204 seconds
*** |--> disk write = 0.084508 seconds
*** |--> disk read = 0.061187 seconds
*** |--> calc = 0.056857 seconds
*** Disk write bandwidth = 9.99699134554014 MB/s
*** Disk read bandwidth = 13.7480474974515 MB/s
*** Minimum energy = -107.328768897985
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768897985
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897985
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768897985
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768897985
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.328768898017
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768898016
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898017
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898017
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.483313 seconds
*** |--> S.join = 0.004702 seconds
*** |--> S.solve = 0.151147 seconds
*** |--> S.split = 0.013079 seconds
*** |--> Tensor update = 0.310789 seconds
*** |--> create = 0.104575 seconds
*** |--> destroy = 0.005247 seconds
*** |--> disk write = 0.084293 seconds
*** |--> disk read = 0.060278 seconds
*** |--> calc = 0.056162 seconds
*** Disk write bandwidth = 9.97949749358265 MB/s
*** Disk read bandwidth = 14.0154906371961 MB/s
*** Minimum energy = -107.328768898017
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.93192339692905e-09
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.328768898017
*** Minimum energy encountered during the last sweep = -107.328768898017
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.328768898017
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -107.328768898023
Stats: nIt(DAVIDSON) = 14
Energy at sites (6, 7) is -107.328768898028
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.328768898029
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -107.328768898029
Stats: nIt(DAVIDSON) = 15
Energy at sites (3, 4) is -107.328768898031
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768898033
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.709696 seconds
*** |--> S.join = 0.00726 seconds
*** |--> S.solve = 1.37862 seconds
*** |--> S.split = 0.011401 seconds
*** |--> Tensor update = 0.308806 seconds
*** |--> create = 0.10306 seconds
*** |--> destroy = 0.00616 seconds
*** |--> disk write = 0.087655 seconds
*** |--> disk read = 0.060662 seconds
*** |--> calc = 0.051027 seconds
*** Disk write bandwidth = 9.6380782000902 MB/s
*** Disk read bandwidth = 13.867030137921 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768898033
Stats: nIt(DAVIDSON) = 8
Energy at sites (3, 4) is -107.328768898033
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.328768898032
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898033
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.933787 seconds
*** |--> S.join = 0.003094 seconds
*** |--> S.solve = 0.597558 seconds
*** |--> S.split = 0.01143 seconds
*** |--> Tensor update = 0.3181 seconds
*** |--> create = 0.104619 seconds
*** |--> destroy = 0.005991 seconds
*** |--> disk write = 0.086219 seconds
*** |--> disk read = 0.060263 seconds
*** |--> calc = 0.060756 seconds
*** Disk write bandwidth = 9.7565708512806 MB/s
*** Disk read bandwidth = 14.0189792182418 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.58593138621654e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.328768898033
*** Minimum energy encountered during the last sweep = -107.328768898033
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033
NOON of irrep Ag = [ 1.99999672241122 , 1.99571463010529 , 1.98497373609523 ].
NOON of irrep B2g = [ 0.538989905183369 ].
NOON of irrep B3g = [ 0.538989904897323 ].
NOON of irrep B1u = [ 1.99999702947244 , 1.99149890562949 , 0.0194690668270075 ].
NOON of irrep B2u = [ 1.46518504983366 ].
NOON of irrep B3u = [ 1.46518504954497 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862738058118 , 0.0587089374470532 , 0.0554792807844276 , 1.11957630010874 , 1.11957629995738 , 8.52797483580249e-05 , 0.0421718621082014 , 0.105000352874487 , 1.11261995844678 , 1.1126199586019 ].
Idistance(0) = 4.60188108177154
Idistance(1) = 17.7825010804546
Idistance(2) = 85.6947708292876
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.812387 seconds
*** |--> MPS gauge change = 0.013433 seconds
*** |--> Diagram calc = 0.055499 seconds
*** |--> Tensor update = 0.73504 seconds
*** |--> create = 0.245236 seconds
*** |--> destroy = 0.01321 seconds
*** |--> disk write = 0.198064 seconds
*** |--> disk read = 0.143451 seconds
*** |--> calc = 0.133974 seconds
*** Disk write bandwidth = 8.64843702420288 MB/s
*** Disk read bandwidth = 11.9409696046854 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1160
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0751953125 MB memory.
FCI::matvec : Wall time = 0.075076 seconds
FCI::matvec : Wall time = 0.031785 seconds
FCI::matvec : Wall time = 0.019115 seconds
FCI::matvec : Wall time = 0.039883 seconds
FCI::matvec : Wall time = 0.024608 seconds
FCI::matvec : Wall time = 0.017003 seconds
FCI::matvec : Wall time = 0.017059 seconds
FCI::matvec : Wall time = 0.017015 seconds
FCI::matvec : Wall time = 0.017006 seconds
FCI::matvec : Wall time = 0.01708 seconds
FCI::matvec : Wall time = 0.017064 seconds
FCI::matvec : Wall time = 0.0170560000000001 seconds
FCI::matvec : Wall time = 0.017063 seconds
FCI::matvec : Wall time = 0.017049 seconds
FCI::matvec : Wall time = 0.017037 seconds
FCI::matvec : Wall time = 0.017049 seconds
FCI::matvec : Wall time = 0.017076 seconds
FCI::GSDavidson : Converged ground state energy = -107.328768898033
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
RMS difference FCI and DMRG determinant coefficients = 2.23148322491e-09
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 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) = 16
Energy at sites (8, 9) is -104.373258908026
Stats: nIt(DAVIDSON) = 13
Energy at sites (7, 8) is -106.98887222822
Stats: nIt(DAVIDSON) = 19
Energy at sites (6, 7) is -106.994522473461
Stats: nIt(DAVIDSON) = 14
Energy at sites (5, 6) is -106.994691182809
Stats: nIt(DAVIDSON) = 17
Energy at sites (4, 5) is -106.996946728008
Stats: nIt(DAVIDSON) = 21
Energy at sites (3, 4) is -106.999175697262
Stats: nIt(DAVIDSON) = 14
Energy at sites (2, 3) is -107.007875042782
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007875042782
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 1.155331 seconds
*** |--> S.join = 0.001994 seconds
*** |--> S.solve = 0.852719 seconds
*** |--> S.split = 0.011553 seconds
*** |--> Tensor update = 0.285447 seconds
*** |--> create = 0.105919 seconds
*** |--> destroy = 0.005111 seconds
*** |--> disk write = 0.082433 seconds
*** |--> disk read = 0.062145 seconds
*** |--> calc = 0.029546 seconds
*** Disk write bandwidth = 2.36907078253134 MB/s
*** Disk read bandwidth = 3.12505008919412 MB/s
*** Minimum energy = -107.007875042782
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007875042782
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007875042782
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007875042782
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.007875708578
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.007878370621
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -107.007920350594
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.007920352049
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920352049
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.524404 seconds
*** |--> S.join = 0.002006 seconds
*** |--> S.solve = 0.271377 seconds
*** |--> S.split = 0.005688 seconds
*** |--> Tensor update = 0.241791 seconds
*** |--> create = 0.082994 seconds
*** |--> destroy = 0.005194 seconds
*** |--> disk write = 0.077026 seconds
*** |--> disk read = 0.055572 seconds
*** |--> calc = 0.020783 seconds
*** Disk write bandwidth = 2.52130758176419 MB/s
*** Disk read bandwidth = 3.51417281754132 MB/s
*** Minimum energy = -107.007920352049
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.007920352049
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.00792035205
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920352049
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.00792035205
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -107.007920352096
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.007920369352
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.007920407355
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -107.007920596818
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596818
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.412291 seconds
*** |--> S.join = 0.002762 seconds
*** |--> S.solve = 0.128068 seconds
*** |--> S.split = 0.00903 seconds
*** |--> Tensor update = 0.268874 seconds
*** |--> create = 0.082148 seconds
*** |--> destroy = 0.005081 seconds
*** |--> disk write = 0.076846 seconds
*** |--> disk read = 0.056348 seconds
*** |--> calc = 0.048206 seconds
*** Disk write bandwidth = 2.54131134758356 MB/s
*** Disk read bandwidth = 3.4465506813546 MB/s
*** Minimum energy = -107.007920596818
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920596818
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596818
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920596818
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.007920596923
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.00792059695
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.007920599397
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599397
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599397
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.412074 seconds
*** |--> S.join = 0.005853 seconds
*** |--> S.solve = 0.114049 seconds
*** |--> S.split = 0.016744 seconds
*** |--> Tensor update = 0.271791 seconds
*** |--> create = 0.083868 seconds
*** |--> destroy = 0.005361 seconds
*** |--> disk write = 0.079072 seconds
*** |--> disk read = 0.058419 seconds
*** |--> calc = 0.044807 seconds
*** Disk write bandwidth = 2.45606836545134 MB/s
*** Disk read bandwidth = 3.34291261090409 MB/s
*** Minimum energy = -107.007920599397
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.47347770709894e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.007920599397
*** Minimum energy encountered during the last sweep = -107.007920599397
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.007920599399
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.007920599401
Stats: nIt(DAVIDSON) = 14
Energy at sites (6, 7) is -107.007920599403
Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -107.007920599403
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.007920599404
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.007920599404
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.007920599438
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599438
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.731061 seconds
*** |--> S.join = 0.021689 seconds
*** |--> S.solve = 1.306726 seconds
*** |--> S.split = 0.063491 seconds
*** |--> Tensor update = 0.33492 seconds
*** |--> create = 0.080948 seconds
*** |--> destroy = 0.006504 seconds
*** |--> disk write = 0.083526 seconds
*** |--> disk read = 0.058888 seconds
*** |--> calc = 0.104778 seconds
*** Disk write bandwidth = 2.33806972459361 MB/s
*** Disk read bandwidth = 3.29789155333801 MB/s
*** Minimum energy = -107.007920599438
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920599438
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599438
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920599438
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -107.007920599438
Stats: nIt(DAVIDSON) = 11
Energy at sites (4, 5) is -107.007920599438
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.007920599439
Stats: nIt(DAVIDSON) = 9
Energy at sites (6, 7) is -107.007920599439
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599439
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.877337 seconds
*** |--> S.join = 0.008109 seconds
*** |--> S.solve = 0.576866 seconds
*** |--> S.split = 0.017361 seconds
*** |--> Tensor update = 0.271062 seconds
*** |--> create = 0.085441 seconds
*** |--> destroy = 0.005997 seconds
*** |--> disk write = 0.0838630000000001 seconds
*** |--> disk read = 0.062386 seconds
*** |--> calc = 0.033117 seconds
*** Disk write bandwidth = 2.31575590895828 MB/s
*** Disk read bandwidth = 3.13034353567157 MB/s
*** Minimum energy = -107.007920599439
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.1438852349529e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.007920599439
*** Minimum energy encountered during the last sweep = -107.007920599439
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439
NOON of irrep Ag = [ 1.99999761728589 , 1.99817458686979 , 1.99099529642639 ].
NOON of irrep B2g = [ 0.999157311001191 ].
NOON of irrep B3g = [ 0.999157310961818 ].
NOON of irrep B1u = [ 1.99999763398151 , 1.99356772578445 , 0.0151843204564449 ].
NOON of irrep B2u = [ 1.00188409863881 ].
NOON of irrep B3u = [ 1.00188409859371 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624934929576e-05 , 0.0439795116678149 , 0.019122705658444 , 0.710073263059223 , 0.710073263343797 , 0.000114194275514469 , 0.0501988279168906 , 0.0847680573952608 , 0.709393186520509 , 0.709393186248859 ].
Idistance(0) = 1.96740724092868
Idistance(1) = 7.24682976814245
Idistance(2) = 34.604870988928
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.627726 seconds
*** |--> MPS gauge change = 0.003374 seconds
*** |--> Diagram calc = 0.034426 seconds
*** |--> Tensor update = 0.581197 seconds
*** |--> create = 0.195863 seconds
*** |--> destroy = 0.01273 seconds
*** |--> disk write = 0.182083 seconds
*** |--> disk read = 0.133396 seconds
*** |--> calc = 0.056194 seconds
*** Disk write bandwidth = 2.24734091421821 MB/s
*** Disk read bandwidth = 3.06757755617555 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 276
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory.
FCI::matvec : Wall time = 0.074848 seconds
FCI::matvec : Wall time = 0.015431 seconds
FCI::matvec : Wall time = 0.006943 seconds
FCI::matvec : Wall time = 0.008831 seconds
FCI::matvec : Wall time = 0.006755 seconds
FCI::matvec : Wall time = 0.022155 seconds
FCI::matvec : Wall time = 0.023326 seconds
FCI::matvec : Wall time = 0.006789 seconds
FCI::matvec : Wall time = 0.00879 seconds
FCI::matvec : Wall time = 0.006695 seconds
FCI::matvec : Wall time = 0.020186 seconds
FCI::matvec : Wall time = 0.025277 seconds
FCI::GSDavidson : Converged ground state energy = -107.007920599438
FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000002 and intended S(S+1) = 6
RMS difference FCI and DMRG determinant coefficients = 5.3222683362e-08
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 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) = 16
Energy at sites (8, 9) is -93.6799062274593
Stats: nIt(DAVIDSON) = 24
Energy at sites (7, 8) is -105.791959220214
Stats: nIt(DAVIDSON) = 55
Energy at sites (6, 7) is -105.904149122519
Stats: nIt(DAVIDSON) = 59
Energy at sites (5, 6) is -105.91371535696
Stats: nIt(DAVIDSON) = 46
Energy at sites (4, 5) is -106.142528182817
Stats: nIt(DAVIDSON) = 29
Energy at sites (3, 4) is -106.161371463995
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.161371613785
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.161371613785
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 2.593351 seconds
*** |--> S.join = 0.003358 seconds
*** |--> S.solve = 2.340121 seconds
*** |--> S.split = 0.005893 seconds
*** |--> Tensor update = 0.240407 seconds
*** |--> create = 0.082067 seconds
*** |--> destroy = 0.005378 seconds
*** |--> disk write = 0.075343 seconds
*** |--> disk read = 0.055926 seconds
*** |--> calc = 0.021477 seconds
*** Disk write bandwidth = 2.67919409245467 MB/s
*** Disk read bandwidth = 3.59001442056244 MB/s
*** Minimum energy = -106.161371613785
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.161371613785
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.161371613785
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.161371613785
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -106.161371613794
Stats: nIt(DAVIDSON) = 11
Energy at sites (4, 5) is -106.161594624366
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.190997621484
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.190997622485
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.190997622485
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.602175 seconds
*** |--> S.join = 0.005113 seconds
*** |--> S.solve = 0.3356 seconds
*** |--> S.split = 0.012713 seconds
*** |--> Tensor update = 0.245168 seconds
*** |--> create = 0.08397 seconds
*** |--> destroy = 0.005473 seconds
*** |--> disk write = 0.077259 seconds
*** |--> disk read = 0.055738 seconds
*** |--> calc = 0.022494 seconds
*** Disk write bandwidth = 2.59872825799421 MB/s
*** Disk read bandwidth = 3.62156016555694 MB/s
*** Minimum energy = -106.190997622485
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 106.190997622485
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.190997622485
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.190997622485
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.190997622485
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.190997622485
Stats: nIt(DAVIDSON) = 11
Energy at sites (4, 5) is -106.191357684888
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -106.191458066308
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -106.191458071648
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191458071648
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.450475 seconds
*** |--> S.join = 0.002138 seconds
*** |--> S.solve = 0.198126 seconds
*** |--> S.split = 0.005954 seconds
*** |--> Tensor update = 0.240724 seconds
*** |--> create = 0.082434 seconds
*** |--> destroy = 0.005376 seconds
*** |--> disk write = 0.075399 seconds
*** |--> disk read = 0.055965 seconds
*** |--> calc = 0.021321 seconds
*** Disk write bandwidth = 2.67720421368735 MB/s
*** Disk read bandwidth = 3.58751266835299 MB/s
*** Minimum energy = -106.191458071648
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191458071648
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191458071648
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191458071648
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191458071648
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -106.191458151364
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -106.191466507161
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.19146650794
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466507939
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.441468 seconds
*** |--> S.join = 0.002051 seconds
*** |--> S.solve = 0.186558 seconds
*** |--> S.split = 0.005821 seconds
*** |--> Tensor update = 0.243489 seconds
*** |--> create = 0.084097 seconds
*** |--> destroy = 0.005476 seconds
*** |--> disk write = 0.076742 seconds
*** |--> disk read = 0.055615 seconds
*** |--> calc = 0.021337 seconds
*** Disk write bandwidth = 2.61623552271735 MB/s
*** Disk read bandwidth = 3.62956972953003 MB/s
*** Minimum energy = -106.19146650794
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 0.00046888545426782
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -106.19146650794
*** Minimum energy encountered during the last sweep = -106.19146650794
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 9
Energy at sites (8, 9) is -106.191466507946
Stats: nIt(DAVIDSON) = 9
Energy at sites (7, 8) is -106.191466507947
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -106.191466507948
Stats: nIt(DAVIDSON) = 14
Energy at sites (5, 6) is -106.19146650796
Stats: nIt(DAVIDSON) = 17
Energy at sites (4, 5) is -106.191466534052
Stats: nIt(DAVIDSON) = 20
Energy at sites (3, 4) is -106.191466572718
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -106.19146657273
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657273
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.944303 seconds
*** |--> S.join = 0.002084 seconds
*** |--> S.solve = 0.680482 seconds
*** |--> S.split = 0.014475 seconds
*** |--> Tensor update = 0.243715 seconds
*** |--> create = 0.082312 seconds
*** |--> destroy = 0.005342 seconds
*** |--> disk write = 0.075661 seconds
*** |--> disk read = 0.055976 seconds
*** |--> calc = 0.024191 seconds
*** Disk write bandwidth = 2.66793355239572 MB/s
*** Disk read bandwidth = 3.58680767622508 MB/s
*** Minimum energy = -106.19146657273
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.19146657273
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657273
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.19146657273
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -106.19146657273
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -106.191466572743
Stats: nIt(DAVIDSON) = 18
Energy at sites (5, 6) is -106.19146657577
Stats: nIt(DAVIDSON) = 4
Energy at sites (6, 7) is -106.19146657577
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19146657577
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.740492 seconds
*** |--> S.join = 0.002041 seconds
*** |--> S.solve = 0.468848 seconds
*** |--> S.split = 0.006957 seconds
*** |--> Tensor update = 0.259101 seconds
*** |--> create = 0.083874 seconds
*** |--> destroy = 0.005389 seconds
*** |--> disk write = 0.077077 seconds
*** |--> disk read = 0.05573 seconds
*** |--> calc = 0.0368 seconds
*** Disk write bandwidth = 2.60486457029172 MB/s
*** Disk read bandwidth = 3.62208003782186 MB/s
*** Minimum energy = -106.19146657577
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 6.78307401358325e-08
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.19146657577
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19146657577
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.19146657577
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -106.19146657577
Stats: nIt(DAVIDSON) = 15
Energy at sites (4, 5) is -106.19146657584
Stats: nIt(DAVIDSON) = 16
Energy at sites (3, 4) is -106.19146657594
Stats: nIt(DAVIDSON) = 5
Energy at sites (2, 3) is -106.19146657594
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657594
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 0.561578 seconds
*** |--> S.join = 0.004068 seconds
*** |--> S.solve = 0.306935 seconds
*** |--> S.split = 0.005686 seconds
*** |--> Tensor update = 0.241371 seconds
*** |--> create = 0.082677 seconds
*** |--> destroy = 0.005384 seconds
*** |--> disk write = 0.075699 seconds
*** |--> disk read = 0.05603 seconds
*** |--> calc = 0.021349 seconds
*** Disk write bandwidth = 2.66659428140151 MB/s
*** Disk read bandwidth = 3.58335082070989 MB/s
*** Minimum energy = -106.19146657594
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.19146657594
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657594
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.19146657594
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -106.19146657594
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -106.19146657594
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -106.19146657595
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19146657595
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 0.634036 seconds
*** |--> S.join = 0.002045 seconds
*** |--> S.solve = 0.363489 seconds
*** |--> S.split = 0.00801 seconds
*** |--> Tensor update = 0.256964 seconds
*** |--> create = 0.083868 seconds
*** |--> destroy = 0.005408 seconds
*** |--> disk write = 0.077239 seconds
*** |--> disk read = 0.055632 seconds
*** |--> calc = 0.034599 seconds
*** Disk write bandwidth = 2.59940116371749 MB/s
*** Disk read bandwidth = 3.62846060734492 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.7942625163414e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.19146657595
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -106.191466575949
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -106.19146657595
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -106.19146657595
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657595
******************************************************************
*** Information on left sweep 2 of instruction 1:
*** Elapsed wall time = 0.526349 seconds
*** |--> S.join = 0.004713 seconds
*** |--> S.solve = 0.264392 seconds
*** |--> S.split = 0.007823 seconds
*** |--> Tensor update = 0.245896 seconds
*** |--> create = 0.08255 seconds
*** |--> destroy = 0.005256 seconds
*** |--> disk write = 0.077271 seconds
*** |--> disk read = 0.056373 seconds
*** |--> calc = 0.024208 seconds
*** Disk write bandwidth = 2.61234512958047 MB/s
*** Disk read bandwidth = 3.56154801916476 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.19146657595
Stats: nIt(DAVIDSON) = 6
Energy at sites (4, 5) is -106.19146657595
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.19146657595
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19146657595
******************************************************************
*** Information on right sweep 2 of instruction 1:
*** Elapsed wall time = 0.556105 seconds
*** |--> S.join = 0.005691 seconds
*** |--> S.solve = 0.239888 seconds
*** |--> S.split = 0.00568 seconds
*** |--> Tensor update = 0.301341 seconds
*** |--> create = 0.083891 seconds
*** |--> destroy = 0.005283 seconds
*** |--> disk write = 0.130472 seconds
*** |--> disk read = 0.055761 seconds
*** |--> calc = 0.025713 seconds
*** Disk write bandwidth = 1.53883704154435 MB/s
*** Disk read bandwidth = 3.62006636372756 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 6.25277607468888e-13
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -106.19146657595
*** Minimum energy encountered during the last sweep = -106.19146657595
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595
NOON of irrep Ag = [ 1.99999399659659 , 1.99366325584354 , 1.87190048894964 ].
NOON of irrep B2g = [ 0.584814285653396 ].
NOON of irrep B3g = [ 0.584814282031914 ].
NOON of irrep B1u = [ 1.99999783389182 , 1.12096429249337 , 1.00219410664878 ].
NOON of irrep B2u = [ 1.42082873330829 ].
NOON of irrep B3u = [ 1.42082872458267 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128256767776e-05 , 0.0722109556447324 , 0.460791917576456 , 1.13075779475535 , 1.13075779976542 , 6.17502949714564e-05 , 0.977139015691863 , 0.735936485643756 , 1.12042723032538 , 1.12042723442418 ].
Idistance(0) = 5.65234395135612
Idistance(1) = 19.8382957406254
Idistance(2) = 88.819540881464
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.750254 seconds
*** |--> MPS gauge change = 0.03795 seconds
*** |--> Diagram calc = 0.0443040000000001 seconds
*** |--> Tensor update = 0.659455 seconds
*** |--> create = 0.199943 seconds
*** |--> destroy = 0.014279 seconds
*** |--> disk write = 0.191621 seconds
*** |--> disk read = 0.14195 seconds
*** |--> calc = 0.110638 seconds
*** Disk write bandwidth = 2.20404023080146 MB/s
*** Disk read bandwidth = 2.97527575249318 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 276
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory.
FCI::matvec : Wall time = 0.006905 seconds
FCI::matvec : Wall time = 0.006991 seconds
FCI::matvec : Wall time = 0.006853 seconds
FCI::matvec : Wall time = 0.006819 seconds
FCI::matvec : Wall time = 0.006752 seconds
FCI::matvec : Wall time = 0.006853 seconds
FCI::matvec : Wall time = 0.006767 seconds
FCI::matvec : Wall time = 0.006809 seconds
FCI::matvec : Wall time = 0.006763 seconds
FCI::matvec : Wall time = 0.006765 seconds
FCI::matvec : Wall time = 0.006733 seconds
FCI::matvec : Wall time = 0.006726 seconds
FCI::matvec : Wall time = 0.006831 seconds
FCI::matvec : Wall time = 0.006765 seconds
FCI::matvec : Wall time = 0.006793 seconds
FCI::matvec : Wall time = 0.006739 seconds
FCI::matvec : Wall time = 0.006761 seconds
FCI::matvec : Wall time = 0.006787 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
RMS difference FCI and DMRG determinant coefficients = 5.07796718379e-08
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 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) = 17
Energy at sites (8, 9) is -104.57417565821
Stats: nIt(DAVIDSON) = 22
Energy at sites (7, 8) is -106.606827071902
Stats: nIt(DAVIDSON) = 39
Energy at sites (6, 7) is -106.77929128083
Stats: nIt(DAVIDSON) = 60
Energy at sites (5, 6) is -107.225076955042
Stats: nIt(DAVIDSON) = 28
Energy at sites (4, 5) is -107.345628079103
Stats: nIt(DAVIDSON) = 17
Energy at sites (3, 4) is -107.345713651889
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.34571507093
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.34571507093
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 4.609446 seconds
*** |--> S.join = 0.003338 seconds
*** |--> S.solve = 4.285043 seconds
*** |--> S.split = 0.011769 seconds
*** |--> Tensor update = 0.305661 seconds
*** |--> create = 0.10382 seconds
*** |--> destroy = 0.005491 seconds
*** |--> disk write = 0.0837690000000001 seconds
*** |--> disk read = 0.060354 seconds
*** |--> calc = 0.051999 seconds
*** Disk write bandwidth = 9.77433920774689 MB/s
*** Disk read bandwidth = 13.5063568063659 MB/s
*** Minimum energy = -107.34571507093
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.34571507093
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.34571507093
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.34571507093
Stats: nIt(DAVIDSON) = 3
Energy at sites (3, 4) is -107.345715072161
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.345715137461
Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -107.346320633461
Stats: nIt(DAVIDSON) = 5
Energy at sites (6, 7) is -107.346325319343
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346325319343
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.023783 seconds
*** |--> S.join = 0.003493 seconds
*** |--> S.solve = 0.688309 seconds
*** |--> S.split = 0.018951 seconds
*** |--> Tensor update = 0.309449 seconds
*** |--> create = 0.106873 seconds
*** |--> destroy = 0.005614 seconds
*** |--> disk write = 0.085034 seconds
*** |--> disk read = 0.060016 seconds
*** |--> calc = 0.051685 seconds
*** Disk write bandwidth = 9.58631440002124 MB/s
*** Disk read bandwidth = 13.6428056034016 MB/s
*** Minimum energy = -107.346325319343
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.346325319343
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346325319343
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346325319343
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346325319343
Stats: nIt(DAVIDSON) = 4
Energy at sites (5, 6) is -107.346325323154
Stats: nIt(DAVIDSON) = 6
Energy at sites (4, 5) is -107.346325953105
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.346326108336
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.34632610873
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.34632610873
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.817508 seconds
*** |--> S.join = 0.00695 seconds
*** |--> S.solve = 0.441451 seconds
*** |--> S.split = 0.018945 seconds
*** |--> Tensor update = 0.344589 seconds
*** |--> create = 0.104025 seconds
*** |--> destroy = 0.005489 seconds
*** |--> disk write = 0.083738 seconds
*** |--> disk read = 0.060415 seconds
*** |--> calc = 0.090672 seconds
*** Disk write bandwidth = 9.77795769057954 MB/s
*** Disk read bandwidth = 13.4927196671589 MB/s
*** Minimum energy = -107.34632610873
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.34632610873
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.34632610873
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.34632610873
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.346326108739
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.346326108827
Stats: nIt(DAVIDSON) = 4
Energy at sites (5, 6) is -107.346326114825
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.34632611491
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.34632611491
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.597285 seconds
*** |--> S.join = 0.003324 seconds
*** |--> S.solve = 0.270469 seconds
*** |--> S.split = 0.011572 seconds
*** |--> Tensor update = 0.308335 seconds
*** |--> create = 0.107637 seconds
*** |--> destroy = 0.005755 seconds
*** |--> disk write = 0.085425 seconds
*** |--> disk read = 0.060107 seconds
*** |--> calc = 0.049152 seconds
*** Disk write bandwidth = 9.5424367420709 MB/s
*** Disk read bandwidth = 13.6221508492147 MB/s
*** Minimum energy = -107.34632611491
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 7.95566393207991e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.34632611491
*** Minimum energy encountered during the last sweep = -107.34632611491
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.346326114911
Stats: nIt(DAVIDSON) = 9
Energy at sites (7, 8) is -107.346326114911
Stats: nIt(DAVIDSON) = 12
Energy at sites (6, 7) is -107.346326114912
Stats: nIt(DAVIDSON) = 19
Energy at sites (5, 6) is -107.346326114922
Stats: nIt(DAVIDSON) = 11
Energy at sites (4, 5) is -107.346326115017
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.346326115021
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.346326115022
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115023
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.924236 seconds
*** |--> S.join = 0.003366 seconds
*** |--> S.solve = 1.560604 seconds
*** |--> S.split = 0.019281 seconds
*** |--> Tensor update = 0.338521 seconds
*** |--> create = 0.118344 seconds
*** |--> destroy = 0.005572 seconds
*** |--> disk write = 0.087886 seconds
*** |--> disk read = 0.066654 seconds
*** |--> calc = 0.059839 seconds
*** Disk write bandwidth = 9.31646247518092 MB/s
*** Disk read bandwidth = 12.2297635354428 MB/s
*** Minimum energy = -107.346326115023
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115022
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115023
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115022
Stats: nIt(DAVIDSON) = 8
Energy at sites (3, 4) is -107.346326115022
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.346326115022
Stats: nIt(DAVIDSON) = 16
Energy at sites (5, 6) is -107.346326115025
Stats: nIt(DAVIDSON) = 8
Energy at sites (6, 7) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115024
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 1.33599 seconds
*** |--> S.join = 0.009104 seconds
*** |--> S.solve = 0.999845 seconds
*** |--> S.split = 0.017318 seconds
*** |--> Tensor update = 0.309122 seconds
*** |--> create = 0.106844 seconds
*** |--> destroy = 0.005559 seconds
*** |--> disk write = 0.084944 seconds
*** |--> disk read = 0.06003 seconds
*** |--> calc = 0.051515 seconds
*** Disk write bandwidth = 9.59647130687755 MB/s
*** Disk read bandwidth = 13.6396238729594 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.1468159755168e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.346326115025
Stats: nIt(DAVIDSON) = 8
Energy at sites (3, 4) is -107.346326115025
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115025
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 0.953832 seconds
*** |--> S.join = 0.00721 seconds
*** |--> S.solve = 0.627812 seconds
*** |--> S.split = 0.012242 seconds
*** |--> Tensor update = 0.305973 seconds
*** |--> create = 0.103656 seconds
*** |--> destroy = 0.005679 seconds
*** |--> disk write = 0.083725 seconds
*** |--> disk read = 0.060461 seconds
*** |--> calc = 0.05222 seconds
*** Disk write bandwidth = 9.7794759163183 MB/s
*** Disk read bandwidth = 13.4824541223501 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115025
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.346326115025
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.346326115025
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115024
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 0.900895 seconds
*** |--> S.join = 0.014914 seconds
*** |--> S.solve = 0.496653 seconds
*** |--> S.split = 0.014066 seconds
*** |--> Tensor update = 0.374314 seconds
*** |--> create = 0.12707 seconds
*** |--> destroy = 0.006115 seconds
*** |--> disk write = 0.118704 seconds
*** |--> disk read = 0.067504 seconds
*** |--> calc = 0.054678 seconds
*** Disk write bandwidth = 6.86718778382705 MB/s
*** Disk read bandwidth = 12.1294533819292 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.346326115025
*** Minimum energy encountered during the last sweep = -107.346326115025
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024
NOON of irrep Ag = [ 1.99999018535372 , 1.9929217527845 , 1.03221285679838 ].
NOON of irrep B2g = [ 1.02415310258326 ].
NOON of irrep B3g = [ 0.0896934287739813 ].
NOON of irrep B1u = [ 1.99999295584654 , 1.95039154288515 , 0.0159495095301368 ].
NOON of irrep B2u = [ 1.91962159297225 ].
NOON of irrep B3u = [ 1.97507307247207 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322991605378 , 0.0447141466352882 , 0.838966994390642 , 0.790658960338084 , 0.317368561155703 , 9.24989501012286e-05 , 0.227634117159001 , 0.090742458488694 , 0.299652804855706 , 0.133979297050029 ].
Idistance(0) = 1.57215407905214
Idistance(1) = 5.15805448326764
Idistance(2) = 21.9866409887414
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.904336 seconds
*** |--> MPS gauge change = 0.02972 seconds
*** |--> Diagram calc = 0.058447 seconds
*** |--> Tensor update = 0.807487 seconds
*** |--> create = 0.252275 seconds
*** |--> destroy = 0.015315 seconds
*** |--> disk write = 0.21022 seconds
*** |--> disk read = 0.152048 seconds
*** |--> calc = 0.176537 seconds
*** Disk write bandwidth = 7.90060785696606 MB/s
*** Disk read bandwidth = 10.923299114039 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1182
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory.
FCI::matvec : Wall time = 0.017437 seconds
FCI::matvec : Wall time = 0.017302 seconds
FCI::matvec : Wall time = 0.017251 seconds
FCI::matvec : Wall time = 0.01726 seconds
FCI::matvec : Wall time = 0.017245 seconds
FCI::matvec : Wall time = 0.017273 seconds
FCI::matvec : Wall time = 0.017268 seconds
FCI::matvec : Wall time = 0.01724 seconds
FCI::matvec : Wall time = 0.017347 seconds
FCI::matvec : Wall time = 0.017327 seconds
FCI::matvec : Wall time = 0.017349 seconds
FCI::matvec : Wall time = 0.017306 seconds
FCI::matvec : Wall time = 0.017329 seconds
FCI::matvec : Wall time = 0.017324 seconds
FCI::matvec : Wall time = 0.017338 seconds
FCI::matvec : Wall time = 0.017356 seconds
FCI::matvec : Wall time = 0.017368 seconds
FCI::matvec : Wall time = 0.017331 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
RMS difference FCI and DMRG determinant coefficients = 3.8661929579e-09
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 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 -101.363693602145
Stats: nIt(DAVIDSON) = 28
Energy at sites (7, 8) is -106.242723899529
Stats: nIt(DAVIDSON) = 53
Energy at sites (6, 7) is -106.950450252815
Stats: nIt(DAVIDSON) = 57
Energy at sites (5, 6) is -107.185376417129
Stats: nIt(DAVIDSON) = 42
Energy at sites (4, 5) is -107.18898434322
Stats: nIt(DAVIDSON) = 31
Energy at sites (3, 4) is -107.199526092142
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.199550608684
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199550608684
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 5.396234 seconds
*** |--> S.join = 0.00669 seconds
*** |--> S.solve = 5.047707 seconds
*** |--> S.split = 0.017939 seconds
*** |--> Tensor update = 0.320267 seconds
*** |--> create = 0.102888 seconds
*** |--> destroy = 0.005804 seconds
*** |--> disk write = 0.085047 seconds
*** |--> disk read = 0.06098 seconds
*** |--> calc = 0.065303 seconds
*** Disk write bandwidth = 9.89075327810468 MB/s
*** Disk read bandwidth = 13.7349119652448 MB/s
*** Minimum energy = -107.199550608684
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199550608684
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199550608684
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199550608684
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.199550614095
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.199562804293
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -107.199616975636
Stats: nIt(DAVIDSON) = 6
Energy at sites (6, 7) is -107.199617304658
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617304658
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.314435 seconds
*** |--> S.join = 0.012001 seconds
*** |--> S.solve = 0.975623 seconds
*** |--> S.split = 0.013178 seconds
*** |--> Tensor update = 0.310777 seconds
*** |--> create = 0.105429 seconds
*** |--> destroy = 0.006283 seconds
*** |--> disk write = 0.088633 seconds
*** |--> disk read = 0.0601450000000001 seconds
*** |--> calc = 0.050038 seconds
*** Disk write bandwidth = 9.44969629416386 MB/s
*** Disk read bandwidth = 13.9858490987275 MB/s
*** Minimum energy = -107.199617304658
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.199617304658
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.199617304658
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617304658
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617304658
Stats: nIt(DAVIDSON) = 4
Energy at sites (5, 6) is -107.199617304902
Stats: nIt(DAVIDSON) = 5
Energy at sites (4, 5) is -107.199617349906
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.199617421258
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.199617421463
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421463
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.754196 seconds
*** |--> S.join = 0.005304 seconds
*** |--> S.solve = 0.385058 seconds
*** |--> S.split = 0.011948 seconds
*** |--> Tensor update = 0.348281 seconds
*** |--> create = 0.103463 seconds
*** |--> destroy = 0.006604 seconds
*** |--> disk write = 0.108777 seconds
*** |--> disk read = 0.062745 seconds
*** |--> calc = 0.066453 seconds
*** Disk write bandwidth = 7.73305840428555 MB/s
*** Disk read bandwidth = 13.3485525801359 MB/s
*** Minimum energy = -107.199617421463
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421463
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421463
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421463
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421463
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.199617421542
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -107.199617421886
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617421886
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421886
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.505723 seconds
*** |--> S.join = 0.006302 seconds
*** |--> S.solve = 0.169387 seconds
*** |--> S.split = 0.01186 seconds
*** |--> Tensor update = 0.314505 seconds
*** |--> create = 0.106197 seconds
*** |--> destroy = 0.006639 seconds
*** |--> disk write = 0.093261 seconds
*** |--> disk read = 0.059991 seconds
*** |--> calc = 0.048085 seconds
*** Disk write bandwidth = 8.98076293027766 MB/s
*** Disk read bandwidth = 14.021751496774 MB/s
*** Minimum energy = -107.199617421886
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.17227926921259e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.199617421886
*** Minimum energy encountered during the last sweep = -107.199617421886
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
Energy at sites (8, 9) is -107.199617421891
Stats: nIt(DAVIDSON) = 11
Energy at sites (7, 8) is -107.1996174219
Stats: nIt(DAVIDSON) = 17
Energy at sites (6, 7) is -107.199617421911
Stats: nIt(DAVIDSON) = 24
Energy at sites (5, 6) is -107.199617421916
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.199617421917
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.199617421919
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421919
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 2.196551 seconds
*** |--> S.join = 0.008175 seconds
*** |--> S.solve = 1.821835 seconds
*** |--> S.split = 0.019668 seconds
*** |--> Tensor update = 0.343247 seconds
*** |--> create = 0.110307 seconds
*** |--> destroy = 0.006411 seconds
*** |--> disk write = 0.096902 seconds
*** |--> disk read = 0.063779 seconds
*** |--> calc = 0.065603 seconds
*** Disk write bandwidth = 8.68071757077221 MB/s
*** Disk read bandwidth = 13.1321427372744 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421919
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.199617421919
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.199617421919
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -107.199617421919
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421919
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 1.383826 seconds
*** |--> S.join = 0.003005 seconds
*** |--> S.solve = 1.055762 seconds
*** |--> S.split = 0.011914 seconds
*** |--> Tensor update = 0.309518 seconds
*** |--> create = 0.105953 seconds
*** |--> destroy = 0.006538 seconds
*** |--> disk write = 0.08875 seconds
*** |--> disk read = 0.059972 seconds
*** |--> calc = 0.048055 seconds
*** Disk write bandwidth = 9.43723866637324 MB/s
*** Disk read bandwidth = 14.026193791152 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.28839178109774e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** Minimum energy encountered during all instructions = -107.199617421919
*** Minimum energy encountered during the last sweep = -107.199617421919
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919
NOON of irrep Ag = [ 1.99998814651076 , 1.98924041563462 , 1.87687857987085 ].
NOON of irrep B2g = [ 0.139387811359321 ].
NOON of irrep B3g = [ 1.03112739713525 ].
NOON of irrep B1u = [ 1.99999431244146 , 1.10839164070473 , 0.0211636956845333 ].
NOON of irrep B2u = [ 1.96715797355167 ].
NOON of irrep B3u = [ 1.86667002710679 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980008883788 , 0.0818410216678594 , 0.449623198356128 , 0.486645055783124 , 0.811029481787688 , 6.68868118721133e-05 , 0.962046613694333 , 0.112095070354549 , 0.167176150472212 , 0.475082461477747 ].
Idistance(0) = 2.38445939190857
Idistance(1) = 9.57998274020844
Idistance(2) = 47.8783646906188
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.899911 seconds
*** |--> MPS gauge change = 0.013962 seconds
*** |--> Diagram calc = 0.0552970000000001 seconds
*** |--> Tensor update = 0.82198 seconds
*** |--> create = 0.273725 seconds
*** |--> destroy = 0.013894 seconds
*** |--> disk write = 0.220801 seconds
*** |--> disk read = 0.144963 seconds
*** |--> calc = 0.167496 seconds
*** Disk write bandwidth = 7.7248306374964 MB/s
*** Disk read bandwidth = 11.766108107516 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1182
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory.
FCI::matvec : Wall time = 0.017618 seconds
FCI::matvec : Wall time = 0.017581 seconds
FCI::matvec : Wall time = 0.01745 seconds
FCI::matvec : Wall time = 0.017506 seconds
FCI::matvec : Wall time = 0.017449 seconds
FCI::matvec : Wall time = 0.017458 seconds
FCI::matvec : Wall time = 0.017508 seconds
FCI::matvec : Wall time = 0.017453 seconds
FCI::matvec : Wall time = 0.017473 seconds
FCI::matvec : Wall time = 0.017448 seconds
FCI::matvec : Wall time = 0.017555 seconds
FCI::matvec : Wall time = 0.017558 seconds
FCI::matvec : Wall time = 0.063464 seconds
FCI::matvec : Wall time = 0.043164 seconds
FCI::matvec : Wall time = 0.017615 seconds
FCI::matvec : Wall time = 0.017834 seconds
FCI::matvec : Wall time = 0.017577 seconds
FCI::matvec : Wall time = 0.017569 seconds
FCI::matvec : Wall time = 0.017586 seconds
FCI::matvec : Wall time = 0.017649 seconds
FCI::matvec : Wall time = 0.018079 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
RMS difference FCI and DMRG determinant coefficients = 5.34317389336e-09
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'
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[ 65%] Built target chemps2-base
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[ 66%] Built target chemps2-shared
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[ 68%] Built target chemps2bin
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 69%] Built target chemps2-static
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 71%] Built target test14
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 73%] Built target test13
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 76%] Built target test12
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[ 78%] Built target test11
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 80%] Built target test3
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 82%] Built target test4
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 84%] Built target test2
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 86%] Built target test6
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 89%] Built target test1
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 91%] Built target test5
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 93%] Built target test7
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 95%] Built target test8
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 97%] Built target test9
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[100%] Built target test10
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.2
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so
-- Set runtime path of "/<<PKGBUILDDIR>>/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so.2" to ""
-- 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/CASPT2.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/CASSCF.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/ConjugateGradient.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/Cumulant.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/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/DMRGSCFrotations.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/Excitation.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/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/Molden.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/Special.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/Tensor3RDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorF0.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorF1.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorGYZ.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorKM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorL.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorO.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorOperator.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/TensorS1.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/ThreeDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TwoDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TwoIndex.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Wigner.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2
-- Set runtime path of "/<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2" to ""
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_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
running install_egg_info
Writing ../debian/tmp/usr/lib/python2.7/dist-packages/CheMPS2-1.7.3.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>>'
dh_installman -a
dh_python2 -a
I: dh_python2 fs:322: renaming PyCheMPS2.so to PyCheMPS2.arm-linux-gnueabihf.so
dh_perl -a
dh_link -a
dh_strip_nondeterminism -a
dh_compress -a
dh_fixperms -a
dh_strip -a
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/CASPT2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/CASSCF.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/CASSCFdebug.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/CASSCFpt2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/ConjugateGradient.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/ConvergenceScheme.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Correlations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Cumulant.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Davidson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DIIS.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRG.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGfock.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGmpsio.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGoperators.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGoperators3RDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGSCFindices.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGSCFoptions.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGSCFrotations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGSCFunitary.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/DMRGtechnics.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Excitation.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/FCI.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/FourIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Hamiltonian.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Heff.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/HeffDiagonal.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/HeffDiagrams1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/HeffDiagrams2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/HeffDiagrams3.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/HeffDiagrams4.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/HeffDiagrams5.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Initialize.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Irreps.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Molden.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/PrintLicense.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Problem.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Sobject.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/SyBookkeeper.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Tensor3RDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorF0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorF1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorGYZ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorKM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorL.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorO.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorOperator.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorQ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorS0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorS1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorT.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TensorX.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/ThreeDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TwoDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/TwoIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stYjpg3G/Wigner.cpp.o: plugin needed to handle lto object
dh_makeshlibs -a
dh_shlibdeps -a
dpkg-shlibdeps: warning: symbol __aeabi_atexit@CXXABI_ARM_1.3.3 used by debian/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 found in none of the libraries
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 was not linked against libsz.so.2 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 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/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 was not linked against libdl.so.2 (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 ld-linux-armhf.so.3 (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 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 libchemps2-2: unused substitution variable ${python:Depends}
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package libchemps2-2: 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 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}
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 'libchemps2-2-dbgsym' in '../libchemps2-2-dbgsym_1.7.3-1_armhf.deb'.
dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.7.3-1_armhf.deb'.
dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.7.3-1_armhf.deb'.
dpkg-deb: building package 'python-chemps2-dbgsym' in '../python-chemps2-dbgsym_1.7.3-1_armhf.deb'.
dpkg-deb: building package 'chemps2' in '../chemps2_1.7.3-1_armhf.deb'.
dpkg-deb: building package 'python-chemps2' in '../python-chemps2_1.7.3-1_armhf.deb'.
dpkg-deb: building package 'libchemps2-2' in '../libchemps2-2_1.7.3-1_armhf.deb'.
dpkg-genchanges --build=any -mRaspbian wandboard test autobuilder <root@raspbian.org> >../chemps2_1.7.3-1_armhf.changes
dpkg-genchanges: warning: package libchemps2-2-dbgsym listed in files list but not in control info
dpkg-genchanges: warning: package chemps2-dbgsym listed in files list but not in control info
dpkg-genchanges: warning: package python-chemps2-dbgsym listed in files list but not in control info
dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included)
dpkg-source --after-build chemps2-1.7.3
dpkg-buildpackage: info: binary-only upload (no source included)
--------------------------------------------------------------------------------
Build finished at 20160806-1057
Finished
--------
I: Built successfully
+------------------------------------------------------------------------------+
| Post Build Chroot |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Changes |
+------------------------------------------------------------------------------+
chemps2_1.7.3-1_armhf.changes:
------------------------------
Format: 1.8
Date: Tue, 26 Jul 2016 11:41:29 +0200
Source: chemps2
Binary: libchemps2-2 libchemps2-dev chemps2-doc chemps2 python-chemps2
Architecture: armhf
Version: 1.7.3-1
Distribution: stretch-staging
Urgency: low
Maintainer: Raspbian wandboard test autobuilder <root@raspbian.org>
Changed-By: Sebastian Wouters <sebastianwouters@gmail.com>
Description:
chemps2 - Executable to call libchemps2-2 from the command line
chemps2-doc - Documentation of the libchemps2-2 package
libchemps2-2 - Spin-adapted DMRG for ab initio quantum chemistry
libchemps2-dev - C++ headers, static library, and symlink for libchemps2-2
python-chemps2 - Python 2 interface for libchemps2-2
Changes:
chemps2 (1.7.3-1) unstable; urgency=low
.
* Upstream release v1.7.1 for psi4
* Upstream release v1.7.2 for DMRG workshop
* Upstream release v1.7.3 with new documentation
* Linear Davidson solver for CASPT2
* Global Fiedler reordering allowed
* Use libblas-dev and liblapack-dev i.o. libatlas-base-dev
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Files:
78f90ef345d4bf093e3d19054636ae3d 59618 debug extra chemps2-dbgsym_1.7.3-1_armhf.deb
b6d32ac45415fda8f640d6f4dbdbc34e 21056 science optional chemps2_1.7.3-1_armhf.deb
4438b4af063084d1610ef5ed76bc2c25 1028914 debug extra libchemps2-2-dbgsym_1.7.3-1_armhf.deb
49826d59178bb43a7707b2005737e348 369622 libs optional libchemps2-2_1.7.3-1_armhf.deb
a229a253002f0bace1960a0976e35c57 6651540 libdevel optional libchemps2-dev_1.7.3-1_armhf.deb
acce50bc8c9435d6703ee00bcf644a1b 264298 debug extra python-chemps2-dbgsym_1.7.3-1_armhf.deb
dbb499b903efb82cc14e064dc10dafe9 68484 python optional python-chemps2_1.7.3-1_armhf.deb
+------------------------------------------------------------------------------+
| Package contents |
+------------------------------------------------------------------------------+
chemps2-dbgsym_1.7.3-1_armhf.deb
--------------------------------
new debian package, version 2.0.
size 59618 bytes: control archive=494 bytes.
405 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: chemps2-dbgsym
Source: chemps2
Version: 1.7.3-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 78
Depends: chemps2 (= 1.7.3-1)
Section: debug
Priority: extra
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Debug symbols for chemps2
Auto-Built-Package: debug-symbols
Build-Ids: c71a0585c66298b6fc4a36bcac598aa89bf999a4
drwxr-xr-x root/root 0 2016-08-06 10:56 ./
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/debug/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/debug/.build-id/c7/
-rw-r--r-- root/root 68632 2016-08-06 10:56 ./usr/lib/debug/.build-id/c7/1a0585c66298b6fc4a36bcac598aa89bf999a4.debug
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/share/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/share/doc/
lrwxrwxrwx root/root 0 2016-08-06 10:56 ./usr/share/doc/chemps2-dbgsym -> chemps2
chemps2_1.7.3-1_armhf.deb
-------------------------
new debian package, version 2.0.
size 21056 bytes: control archive=1275 bytes.
1762 bytes, 36 lines control
327 bytes, 5 lines md5sums
Package: chemps2
Version: 1.7.3-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 60
Depends: libc6 (>= 2.4), libchemps2-2 (= 1.7.3-1), libgcc1 (>= 1:3.5), 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 libchemps2-2 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 wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the executable which parses Hamiltonians in
fcidump format, performs DMRG-SCF and DMRG-CASPT2 calculations as
specified by the user.
drwxr-xr-x root/root 0 2016-08-06 10:56 ./
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/bin/
-rwxr-xr-x root/root 42832 2016-08-06 10:56 ./usr/bin/chemps2
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/doc/chemps2/
lrwxrwxrwx root/root 0 2016-08-06 10:55 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 943 2016-07-26 09:42 ./usr/share/doc/chemps2/changelog.Debian.gz
-rw-r--r-- root/root 1074 2016-07-14 10:21 ./usr/share/doc/chemps2/changelog.gz
-rw-r--r-- root/root 1294 2016-07-26 09:38 ./usr/share/doc/chemps2/copyright
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/man/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/man/man1/
-rw-r--r-- root/root 2677 2016-08-06 10:55 ./usr/share/man/man1/chemps2.1.gz
libchemps2-2-dbgsym_1.7.3-1_armhf.deb
-------------------------------------
new debian package, version 2.0.
size 1028914 bytes: control archive=501 bytes.
422 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: libchemps2-2-dbgsym
Source: chemps2
Version: 1.7.3-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 1170
Depends: libchemps2-2 (= 1.7.3-1)
Section: debug
Priority: extra
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Debug symbols for libchemps2-2
Auto-Built-Package: debug-symbols
Build-Ids: 4448afc1b22022ddf0e2788305908c85a0ea2358
drwxr-xr-x root/root 0 2016-08-06 10:56 ./
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/debug/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/debug/.build-id/44/
-rw-r--r-- root/root 1187600 2016-08-06 10:56 ./usr/lib/debug/.build-id/44/48afc1b22022ddf0e2788305908c85a0ea2358.debug
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/share/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/share/doc/
lrwxrwxrwx root/root 0 2016-08-06 10:56 ./usr/share/doc/libchemps2-2-dbgsym -> libchemps2-2
libchemps2-2_1.7.3-1_armhf.deb
------------------------------
new debian package, version 2.0.
size 369622 bytes: control archive=10085 bytes.
1684 bytes, 33 lines control
451 bytes, 6 lines md5sums
26 bytes, 1 lines shlibs
63552 bytes, 1059 lines symbols
60 bytes, 2 lines triggers
Package: libchemps2-2
Source: chemps2
Version: 1.7.3-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 1221
Depends: libblas3 | libblas.so.3, libc6 (>= 2.4), libgcc1 (>= 1:3.5), libgomp1 (>= 4.9), libhdf5-10, liblapack3 | liblapack.so.3, libstdc++6 (>= 5.2), libsz2, 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 wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
drwxr-xr-x root/root 0 2016-08-06 10:56 ./
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/lib/
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-rw-r--r-- root/root 1160276 2016-08-06 10:56 ./usr/lib/arm-linux-gnueabihf/libchemps2.so.2
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drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/doc/libchemps2-2/
lrwxrwxrwx root/root 0 2016-08-06 10:55 ./usr/share/doc/libchemps2-2/CHANGELOG.md.gz -> changelog.gz
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-rw-r--r-- root/root 1294 2016-07-26 09:38 ./usr/share/doc/libchemps2-2/copyright
libchemps2-dev_1.7.3-1_armhf.deb
--------------------------------
new debian package, version 2.0.
size 6651540 bytes: control archive=2627 bytes.
1641 bytes, 36 lines control
3675 bytes, 55 lines md5sums
Package: libchemps2-dev
Source: chemps2
Version: 1.7.3-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 7584
Depends: libchemps2-2 (= 1.7.3-1)
Suggests: chemps2-doc
Section: libdevel
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: C++ headers, static library, and symlink for libchemps2-2
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the C++ headers, static library, and symlink
for libchemps2.
drwxr-xr-x root/root 0 2016-08-06 10:56 ./
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/include/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/include/chemps2/
-rw-r--r-- root/root 12630 2016-07-14 10:21 ./usr/include/chemps2/CASPT2.h
-rw-r--r-- root/root 29774 2016-07-14 10:21 ./usr/include/chemps2/CASSCF.h
-rw-r--r-- root/root 3717 2016-07-14 10:21 ./usr/include/chemps2/ConjugateGradient.h
-rw-r--r-- root/root 5460 2016-07-14 10:21 ./usr/include/chemps2/ConvergenceScheme.h
-rw-r--r-- root/root 14687 2016-07-14 10:21 ./usr/include/chemps2/Correlations.h
-rw-r--r-- root/root 10202 2016-07-14 10:21 ./usr/include/chemps2/Cumulant.h
-rw-r--r-- root/root 4326 2016-07-14 10:21 ./usr/include/chemps2/DIIS.h
-rw-r--r-- root/root 15179 2016-07-14 10:21 ./usr/include/chemps2/DMRG.h
-rw-r--r-- root/root 6579 2016-07-14 10:21 ./usr/include/chemps2/DMRGSCFindices.h
-rw-r--r-- root/root 10507 2016-07-14 10:21 ./usr/include/chemps2/DMRGSCFintegrals.h
-rw-r--r-- root/root 4031 2016-07-14 10:21 ./usr/include/chemps2/DMRGSCFmatrix.h
-rw-r--r-- root/root 10336 2016-07-14 10:21 ./usr/include/chemps2/DMRGSCFoptions.h
-rw-r--r-- root/root 5093 2016-07-14 10:21 ./usr/include/chemps2/DMRGSCFrotations.h
-rw-r--r-- root/root 9459 2016-07-14 10:21 ./usr/include/chemps2/DMRGSCFunitary.h
-rw-r--r-- root/root 5006 2016-07-14 10:21 ./usr/include/chemps2/DMRGSCFwtilde.h
-rw-r--r-- root/root 4973 2016-07-14 10:21 ./usr/include/chemps2/Davidson.h
-rw-r--r-- root/root 13377 2016-07-14 10:21 ./usr/include/chemps2/EdmistonRuedenberg.h
-rw-r--r-- root/root 4697 2016-07-14 10:21 ./usr/include/chemps2/Excitation.h
-rw-r--r-- root/root 43118 2016-07-14 10:21 ./usr/include/chemps2/FCI.h
-rw-r--r-- root/root 8751 2016-07-14 10:21 ./usr/include/chemps2/FourIndex.h
-rw-r--r-- root/root 9643 2016-07-14 10:21 ./usr/include/chemps2/Hamiltonian.h
-rw-r--r-- root/root 18516 2016-07-14 10:21 ./usr/include/chemps2/Heff.h
-rw-r--r-- root/root 1296 2016-07-14 10:21 ./usr/include/chemps2/Initialize.h
-rw-r--r-- root/root 7775 2016-07-14 10:21 ./usr/include/chemps2/Irreps.h
-rw-r--r-- root/root 2404 2016-07-14 10:21 ./usr/include/chemps2/Lapack.h
-rw-r--r-- root/root 12471 2016-07-14 10:21 ./usr/include/chemps2/MPIchemps2.h
-rw-r--r-- root/root 2611 2016-07-14 10:21 ./usr/include/chemps2/Molden.h
-rw-r--r-- root/root 1184 2016-07-14 10:21 ./usr/include/chemps2/MyHDF5.h
-rw-r--r-- root/root 3732 2016-07-14 10:21 ./usr/include/chemps2/Options.h
-rw-r--r-- root/root 6815 2016-07-14 10:21 ./usr/include/chemps2/Problem.h
-rw-r--r-- root/root 9088 2016-07-14 10:21 ./usr/include/chemps2/Sobject.h
-rw-r--r-- root/root 3216 2016-07-14 10:21 ./usr/include/chemps2/Special.h
-rw-r--r-- root/root 8295 2016-07-14 10:21 ./usr/include/chemps2/SyBookkeeper.h
-rw-r--r-- root/root 3691 2016-07-14 10:21 ./usr/include/chemps2/Tensor.h
-rw-r--r-- root/root 5235 2016-07-14 10:21 ./usr/include/chemps2/Tensor3RDM.h
-rw-r--r-- root/root 2838 2016-07-14 10:21 ./usr/include/chemps2/TensorF0.h
-rw-r--r-- root/root 2844 2016-07-14 10:21 ./usr/include/chemps2/TensorF1.h
-rw-r--r-- root/root 2013 2016-07-14 10:21 ./usr/include/chemps2/TensorGYZ.h
-rw-r--r-- root/root 2117 2016-07-14 10:21 ./usr/include/chemps2/TensorKM.h
-rw-r--r-- root/root 3017 2016-07-14 10:21 ./usr/include/chemps2/TensorL.h
-rw-r--r-- root/root 2824 2016-07-14 10:21 ./usr/include/chemps2/TensorO.h
-rw-r--r-- root/root 9639 2016-07-14 10:21 ./usr/include/chemps2/TensorOperator.h
-rw-r--r-- root/root 4807 2016-07-14 10:21 ./usr/include/chemps2/TensorQ.h
-rw-r--r-- root/root 2855 2016-07-14 10:21 ./usr/include/chemps2/TensorS0.h
-rw-r--r-- root/root 2513 2016-07-14 10:21 ./usr/include/chemps2/TensorS1.h
-rw-r--r-- root/root 5836 2016-07-14 10:21 ./usr/include/chemps2/TensorT.h
-rw-r--r-- root/root 4012 2016-07-14 10:21 ./usr/include/chemps2/TensorX.h
-rw-r--r-- root/root 13128 2016-07-14 10:21 ./usr/include/chemps2/ThreeDM.h
-rw-r--r-- root/root 9818 2016-07-14 10:21 ./usr/include/chemps2/TwoDM.h
-rw-r--r-- root/root 3140 2016-07-14 10:21 ./usr/include/chemps2/TwoIndex.h
-rw-r--r-- root/root 3713 2016-07-14 10:21 ./usr/include/chemps2/Wigner.h
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-rw-r--r-- root/root 7329716 2016-08-06 10:56 ./usr/lib/arm-linux-gnueabihf/libchemps2.a
lrwxrwxrwx root/root 0 2016-08-06 10:55 ./usr/lib/arm-linux-gnueabihf/libchemps2.so -> libchemps2.so.2
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drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/doc/libchemps2-dev/
lrwxrwxrwx root/root 0 2016-08-06 10:55 ./usr/share/doc/libchemps2-dev/CHANGELOG.md.gz -> changelog.gz
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-rw-r--r-- root/root 1294 2016-07-26 09:38 ./usr/share/doc/libchemps2-dev/copyright
python-chemps2-dbgsym_1.7.3-1_armhf.deb
---------------------------------------
new debian package, version 2.0.
size 264298 bytes: control archive=502 bytes.
427 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: python-chemps2-dbgsym
Source: chemps2
Version: 1.7.3-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 305
Depends: python-chemps2 (= 1.7.3-1)
Section: debug
Priority: extra
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Debug symbols for python-chemps2
Auto-Built-Package: debug-symbols
Build-Ids: 82d3dd35aac02be2040ee01f7541d7aa0f8cb8ec
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drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/
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drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/debug/.build-id/82/
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drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/share/doc/
lrwxrwxrwx root/root 0 2016-08-06 10:56 ./usr/share/doc/python-chemps2-dbgsym -> python-chemps2
python-chemps2_1.7.3-1_armhf.deb
--------------------------------
new debian package, version 2.0.
size 68484 bytes: control archive=1288 bytes.
1722 bytes, 35 lines control
420 bytes, 5 lines md5sums
Package: python-chemps2
Source: chemps2
Version: 1.7.3-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 246
Depends: python-numpy (>= 1:1.10.0~b1), python-numpy-abi9, python (<< 2.8), python (>= 2.7~), libc6 (>= 2.4), libchemps2-2 (= 1.7.3-1), libgcc1 (>= 1:3.5), libstdc++6 (>= 5.2)
Suggests: chemps2-doc
Section: python
Priority: optional
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Python 2 interface for libchemps2-2
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the library for Python 2.
drwxr-xr-x root/root 0 2016-08-06 10:56 ./
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/lib/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/lib/python2.7/
drwxr-xr-x root/root 0 2016-08-06 10:56 ./usr/lib/python2.7/dist-packages/
-rw-r--r-- root/root 795 2016-08-06 10:55 ./usr/lib/python2.7/dist-packages/CheMPS2-1.7.3.egg-info
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drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-08-06 10:55 ./usr/share/doc/python-chemps2/
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-rw-r--r-- root/root 1294 2016-07-26 09:38 ./usr/share/doc/python-chemps2/copyright
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+------------------------------------------------------------------------------+
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+------------------------------------------------------------------------------+
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+------------------------------------------------------------------------------+
| Summary |
+------------------------------------------------------------------------------+
Build Architecture: armhf
Build-Space: 65732
Build-Time: 929
Distribution: stretch-staging
Host Architecture: armhf
Install-Time: 720
Job: chemps2_1.7.3-1
Machine Architecture: armhf
Package: chemps2
Package-Time: 1694
Source-Version: 1.7.3-1
Space: 65732
Status: successful
Version: 1.7.3-1
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Finished at 20160806-1057
Build needed 00:28:14, 65732k disc space