chemps2 →
1.8-1 →
armhf → 2016-08-30 11:32:50
sbuild (Debian sbuild) 0.66.0 (04 Oct 2015) on testwandboard
+==============================================================================+
| chemps2 1.8-1 (armhf) 30 Aug 2016 10:57 |
+==============================================================================+
Package: chemps2
Version: 1.8-1
Source Version: 1.8-1
Distribution: stretch-staging
Machine Architecture: armhf
Host Architecture: armhf
Build Architecture: armhf
I: NOTICE: Log filtering will replace 'build/chemps2-Yty9_h/chemps2-1.8' with '<<PKGBUILDDIR>>'
I: NOTICE: Log filtering will replace 'build/chemps2-Yty9_h' with '<<BUILDDIR>>'
I: NOTICE: Log filtering will replace 'var/lib/schroot/mount/stretch-staging-armhf-sbuild-f545aecb-ddce-4f80-aada-bcc043aeb93b' 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 [9255 kB]
Get:3 http://172.17.0.1/private stretch-staging/main armhf Packages [11.2 MB]
Fetched 20.5 MB in 27s (743 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 1266 kB of source archives.
Get:1 http://172.17.0.1/private stretch-staging/main chemps2 1.8-1 (dsc) [2430 B]
Get:2 http://172.17.0.1/private stretch-staging/main chemps2 1.8-1 (tar) [1250 kB]
Get:3 http://172.17.0.1/private stretch-staging/main chemps2 1.8-1 (diff) [12.9 kB]
Fetched 1266 kB in 0s (1670 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-tqQCBJ/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-tqQCBJ/apt_archive ./ InRelease
Ign:1 file:/<<BUILDDIR>>/resolver-tqQCBJ/apt_archive ./ InRelease
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Get:2 file:/<<BUILDDIR>>/resolver-tqQCBJ/apt_archive ./ Release [2119 B]
Get:3 file:/<<BUILDDIR>>/resolver-tqQCBJ/apt_archive ./ Release.gpg [299 B]
Get:3 file:/<<BUILDDIR>>/resolver-tqQCBJ/apt_archive ./ Release.gpg [299 B]
Get:4 file:/<<BUILDDIR>>/resolver-tqQCBJ/apt_archive ./ Sources [194 B]
Get:5 file:/<<BUILDDIR>>/resolver-tqQCBJ/apt_archive ./ Packages [508 B]
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
W: file:///<<BUILDDIR>>/resolver-tqQCBJ/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 24 not upgraded.
Need to get 0 B/764 B of archives.
After this operation, 0 B of additional disk space will be used.
Get:1 file:/<<BUILDDIR>>/resolver-tqQCBJ/apt_archive ./ sbuild-build-depends-core-dummy 0.invalid.0 [764 B]
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 ... 13951 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-iV3Wfk/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-iV3Wfk/apt_archive ./ InRelease
Ign:1 file:/<<BUILDDIR>>/resolver-iV3Wfk/apt_archive ./ InRelease
Get:2 file:/<<BUILDDIR>>/resolver-iV3Wfk/apt_archive ./ Release [2119 B]
Get:2 file:/<<BUILDDIR>>/resolver-iV3Wfk/apt_archive ./ Release [2119 B]
Get:3 file:/<<BUILDDIR>>/resolver-iV3Wfk/apt_archive ./ Release.gpg [299 B]
Get:3 file:/<<BUILDDIR>>/resolver-iV3Wfk/apt_archive ./ Release.gpg [299 B]
Get:4 file:/<<BUILDDIR>>/resolver-iV3Wfk/apt_archive ./ Sources [302 B]
Get:5 file:/<<BUILDDIR>>/resolver-iV3Wfk/apt_archive ./ Packages [623 B]
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
W: file:///<<BUILDDIR>>/resolver-iV3Wfk/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-6
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-6-dev libgfortran3 libglib2.0-0
libgnutls30 libgssapi-krb5-2 libhdf5-10 libhdf5-cpp-11 libhdf5-dev
libhogweed4 libicu57 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 libtimedate-perl 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-6-doc
libgfortran3-dbg libcoarrays-dev 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-6
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-6-dev libgfortran3 libglib2.0-0
libgnutls30 libgssapi-krb5-2 libhdf5-10 libhdf5-cpp-11 libhdf5-dev
libhogweed4 libicu57 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 libtimedate-perl 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, 124 newly installed, 0 to remove and 24 not upgraded.
Need to get 117 MB/117 MB of archives.
After this operation, 421 MB of additional disk space will be used.
Get:1 file:/<<BUILDDIR>>/resolver-iV3Wfk/apt_archive ./ sbuild-build-depends-chemps2-dummy 0.invalid.0 [884 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 2.7.12-2 [388 kB]
Get:8 http://172.17.0.1/private stretch-staging/main armhf python2.7-minimal armhf 2.7.12-2 [1173 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 3.14.1-1 [483 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 2.7.12-2 [1843 kB]
Get:15 http://172.17.0.1/private stretch-staging/main armhf python2.7 armhf 2.7.12-2 [277 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 3.6.1-1 [1152 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 libicu57 armhf 57.1-3 [7408 kB]
Get:21 http://172.17.0.1/private stretch-staging/main armhf libxml2 armhf 2.9.4+dfsg1-1+b1 [803 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 1.14.3+dfsg-1 [57.4 kB]
Get:25 http://172.17.0.1/private stretch-staging/main armhf libk5crypto3 armhf 1.14.3+dfsg-1 [111 kB]
Get:26 http://172.17.0.1/private stretch-staging/main armhf libkrb5-3 armhf 1.14.3+dfsg-1 [263 kB]
Get:27 http://172.17.0.1/private stretch-staging/main armhf libgssapi-krb5-2 armhf 1.14.3+dfsg-1 [131 kB]
Get:28 http://172.17.0.1/private stretch-staging/main armhf libp11-kit0 armhf 0.23.2-5 [93.9 kB]
Get:29 http://172.17.0.1/private stretch-staging/main armhf libtasn1-6 armhf 4.9-4 [44.9 kB]
Get:30 http://172.17.0.1/private stretch-staging/main armhf libgnutls30 armhf 3.5.3-2 [728 kB]
Get:31 http://172.17.0.1/private stretch-staging/main armhf libsasl2-modules-db armhf 2.1.26.dfsg1-15 [65.6 kB]
Get:32 http://172.17.0.1/private stretch-staging/main armhf libsasl2-2 armhf 2.1.26.dfsg1-15 [96.7 kB]
Get:33 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:34 http://172.17.0.1/private stretch-staging/main armhf libnghttp2-14 armhf 1.13.0-1 [68.7 kB]
Get:35 http://172.17.0.1/private stretch-staging/main armhf librtmp1 armhf 2.4+20151223.gitfa8646d.1-1 [54.2 kB]
Get:36 http://172.17.0.1/private stretch-staging/main armhf libssh2-1 armhf 1.7.0-1 [125 kB]
Get:37 http://172.17.0.1/private stretch-staging/main armhf libcurl3 armhf 7.50.1-1 [251 kB]
Get:38 http://172.17.0.1/private stretch-staging/main armhf libjsoncpp1 armhf 1.7.4-3 [66.2 kB]
Get:39 http://172.17.0.1/private stretch-staging/main armhf cmake armhf 3.6.1-1 [2269 kB]
Get:40 http://172.17.0.1/private stretch-staging/main armhf libpython3.5-minimal armhf 3.5.2-3 [564 kB]
Get:41 http://172.17.0.1/private stretch-staging/main armhf python3.5-minimal armhf 3.5.2-3 [1433 kB]
Get:42 http://172.17.0.1/private stretch-staging/main armhf python3-minimal armhf 3.5.1-4 [35.3 kB]
Get:43 http://172.17.0.1/private stretch-staging/main armhf libmpdec2 armhf 2.4.2-1 [67.5 kB]
Get:44 http://172.17.0.1/private stretch-staging/main armhf libpython3.5-stdlib armhf 3.5.2-3 [2080 kB]
Get:45 http://172.17.0.1/private stretch-staging/main armhf python3.5 armhf 3.5.2-3 [214 kB]
Get:46 http://172.17.0.1/private stretch-staging/main armhf libpython3-stdlib armhf 3.5.1-4 [18.6 kB]
Get:47 http://172.17.0.1/private stretch-staging/main armhf dh-python all 2.20160818 [83.0 kB]
Get:48 http://172.17.0.1/private stretch-staging/main armhf python3 armhf 3.5.1-4 [21.7 kB]
Get:49 http://172.17.0.1/private stretch-staging/main armhf sgml-base all 1.28 [14.7 kB]
Get:50 http://172.17.0.1/private stretch-staging/main armhf libmagic-mgc armhf 1:5.28-4 [210 kB]
Get:51 http://172.17.0.1/private stretch-staging/main armhf libmagic1 armhf 1:5.28-4 [104 kB]
Get:52 http://172.17.0.1/private stretch-staging/main armhf file armhf 1:5.28-4 [62.7 kB]
Get:53 http://172.17.0.1/private stretch-staging/main armhf gettext-base armhf 0.19.8.1-1 [117 kB]
Get:54 http://172.17.0.1/private stretch-staging/main armhf libpython2.7 armhf 2.7.12-2 [913 kB]
Get:55 http://172.17.0.1/private stretch-staging/main armhf libsigsegv2 armhf 2.10-5 [28.4 kB]
Get:56 http://172.17.0.1/private stretch-staging/main armhf m4 armhf 1.4.17-5 [239 kB]
Get:57 http://172.17.0.1/private stretch-staging/main armhf autoconf all 2.69-10 [338 kB]
Get:58 http://172.17.0.1/private stretch-staging/main armhf autotools-dev all 20160430.1 [72.6 kB]
Get:59 http://172.17.0.1/private stretch-staging/main armhf automake all 1:1.15-4 [735 kB]
Get:60 http://172.17.0.1/private stretch-staging/main armhf autopoint all 0.19.8.1-1 [433 kB]
Get:61 http://172.17.0.1/private stretch-staging/main armhf cython armhf 0.23.4+git4-g7eed8d8-2 [1452 kB]
Get:62 http://172.17.0.1/private stretch-staging/main armhf libglib2.0-0 armhf 2.48.1-2 [2546 kB]
Get:63 http://172.17.0.1/private stretch-staging/main armhf libcroco3 armhf 0.6.11-1 [131 kB]
Get:64 http://172.17.0.1/private stretch-staging/main armhf libunistring0 armhf 0.9.6+really0.9.3-0.1 [252 kB]
Get:65 http://172.17.0.1/private stretch-staging/main armhf gettext armhf 0.19.8.1-1 [1433 kB]
Get:66 http://172.17.0.1/private stretch-staging/main armhf intltool-debian all 0.35.0+20060710.4 [26.3 kB]
Get:67 http://172.17.0.1/private stretch-staging/main armhf po-debconf all 1.0.19 [249 kB]
Get:68 http://172.17.0.1/private stretch-staging/main armhf libarchive-zip-perl all 1.59-1 [95.5 kB]
Get:69 http://172.17.0.1/private stretch-staging/main armhf libfile-stripnondeterminism-perl all 0.023-2 [13.4 kB]
Get:70 http://172.17.0.1/private stretch-staging/main armhf libtimedate-perl all 2.3000-2 [42.2 kB]
Get:71 http://172.17.0.1/private stretch-staging/main armhf dh-strip-nondeterminism all 0.023-2 [8202 B]
Get:72 http://172.17.0.1/private stretch-staging/main armhf libtool all 2.4.6-2 [545 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 9.20160814 [800 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 6.1.1-11+rpi1 [166 kB]
Get:78 http://172.17.0.1/private stretch-staging/main armhf libgfortran-6-dev armhf 6.1.1-11+rpi1 [200 kB]
Get:79 http://172.17.0.1/private stretch-staging/main armhf gfortran-6 armhf 6.1.1-11+rpi1 [27.9 MB]
Get:80 http://172.17.0.1/private stretch-staging/main armhf gfortran armhf 4:6.1.1-1 [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 2.7.12-2 [27.5 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 25.2.0-1 [143 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 25.2.0-1 [211 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 4.5.0-1-armmp armhf (armv7l)
Toolchain package versions: binutils_2.26.1-1 dpkg-dev_1.18.10 g++-6_6.1.1-11+rpi1 gcc-6_6.1.1-11+rpi1 libc6-dev_2.23-4 libstdc++-6-dev_6.1.1-11+rpi1 libstdc++6_6.1.1-11+rpi1 linux-libc-dev_3.18.5-1~exp1+rpi19+stretch
Package versions: adduser_3.115 apt_1.3~pre3 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_1:2.28-6 build-essential_12.2 bzip2_1.0.6-8 cmake_3.6.1-1 cmake-data_3.6.1-1 console-setup_1.147 console-setup-linux_1.147 coreutils_8.25-2 cpio_2.11+dfsg-5 cpp_4:6.1.1-1 cpp-6_6.1.1-11+rpi1 cython_0.23.4+git4-g7eed8d8-2 dash_0.5.8-2.3 debconf_1.5.59 debfoster_2.7-2.1 debhelper_9.20160814 debianutils_4.8 dh-autoreconf_12 dh-python_2.20160818 dh-strip-nondeterminism_0.023-2 diffutils_1:3.3-3 dmsetup_2:1.02.130-1 docutils-common_0.12+dfsg-1 dpkg_1.18.10 dpkg-dev_1.18.10 e2fslibs_1.43.1-1 e2fsprogs_1.43.1-1 fakeroot_1.21-1 file_1:5.28-4 findutils_4.6.0+git+20160703-2 fonts-mathjax_2.6.1-1 fuse2fs_1.43.1-1 g++_4:6.1.1-1 g++-6_6.1.1-11+rpi1 gcc_4:6.1.1-1 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-base_5.4.0-4 gcc-6_6.1.1-11+rpi1 gcc-6-base_6.1.1-11+rpi1 gettext_0.19.8.1-1 gettext-base_0.19.8.1-1 gfortran_4:6.1.1-1 gfortran-6_6.1.1-11+rpi1 gnupg_1.4.20-6 gpgv_1.4.20-6 grep_2.25-6 groff-base_1.22.3-8 gzip_1.6-5 hdf5-helpers_1.8.16+docs-8 hostname_3.18 ifupdown_0.8.13 init_1.42 init-system-helpers_1.42 initscripts_2.88dsf-59.8 insserv_1.14.0-5.4 intltool-debian_0.35.0+20060710.4 iproute2_4.6.0-1 kbd_2.0.3-2 keyboard-configuration_1.147 klibc-utils_2.0.4-9+rpi1 kmod_22-1.1 libacl1_2.2.52-3 libaec-dev_0.3.2-1 libaec0_0.3.2-1 libapparmor1_2.10.95-4 libapt-pkg5.0_1.3~pre3 libarchive-zip-perl_1.59-1 libarchive13_3.2.1-2 libasan3_6.1.1-11+rpi1 libatm1_1:2.5.1-1.6 libatomic1_6.1.1-11+rpi1 libattr1_1:2.4.47-2 libaudit-common_1:2.6.5-1 libaudit1_1:2.6.5-1 libblas-common_3.6.1-2 libblas-dev_3.6.1-2 libblas3_3.6.1-2 libblkid1_2.28-6 libbsd0_0.8.3-1 libbz2-1.0_1.0.6-8 libc-bin_2.23-4 libc-dev-bin_2.23-4 libc6_2.23-4 libc6-dev_2.23-4 libcap-ng0_0.7.7-3 libcap2_1:2.25-1 libcap2-bin_1:2.25-1 libcc1-0_6.1.1-11+rpi1 libcomerr2_1.43.1-1 libcroco3_0.6.11-1 libcryptsetup4_2:1.7.0-2 libcurl3_7.50.1-1 libdb5.3_5.3.28-12 libdbus-1-3_1.10.8-1 libdebconfclient0_0.215 libdevmapper1.02.1_2:1.02.130-1 libdpkg-perl_1.18.10 libdrm2_2.4.70-1 libexpat1_2.2.0-1 libexpat1-dev_2.2.0-1 libfakeroot_1.21-1 libfdisk1_2.28-6 libffi6_3.2.1-4 libfile-stripnondeterminism-perl_0.023-2 libfuse2_2.9.7-1 libgc1c2_1:7.4.2-8 libgcc-6-dev_6.1.1-11+rpi1 libgcc1_1:6.1.1-11+rpi1 libgcrypt20_1.7.2-2 libgdbm3_1.8.3-14 libgfortran-6-dev_6.1.1-11+rpi1 libgfortran3_6.1.1-11+rpi1 libglib2.0-0_2.48.1-2 libgmp10_2:6.1.1+dfsg-1 libgnutls30_3.5.3-2 libgomp1_6.1.1-11+rpi1 libgpg-error0_1.24-1 libgssapi-krb5-2_1.14.3+dfsg-1 libhdf5-10_1.8.16+docs-8 libhdf5-cpp-11_1.8.16+docs-8 libhdf5-dev_1.8.16+docs-8 libhogweed4_3.2-1 libicu57_57.1-3 libidn11_1.33-1 libisl15_0.17.1-1 libjpeg-dev_1:1.5.0-1 libjpeg62-turbo_1:1.5.0-1 libjpeg62-turbo-dev_1:1.5.0-1 libjs-jquery_1.12.4-1 libjs-mathjax_2.6.1-1 libjs-sphinxdoc_1.4.5-1 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libpython3.5-minimal_3.5.2-3 libpython3.5-stdlib_3.5.2-3 libreadline6_6.3-8+b3 librtmp1_2.4+20151223.gitfa8646d.1-1 libsasl2-2_2.1.26.dfsg1-15 libsasl2-modules-db_2.1.26.dfsg1-15 libseccomp2_2.3.1-2 libselinux1_2.5-3 libsemanage-common_2.5-1 libsemanage1_2.5-1 libsepol1_2.5-1 libsigsegv2_2.10-5 libsmartcols1_2.28-6 libsqlite3-0_3.14.1-1 libss2_1.43.1-1 libssh2-1_1.7.0-1 libssl1.0.2_1.0.2h-1 libstdc++-6-dev_6.1.1-11+rpi1 libstdc++6_6.1.1-11+rpi1 libsystemd0_230-7+b1 libsz2_0.3.2-1 libtasn1-6_4.9-4 libtext-charwidth-perl_0.04-7+b6 libtext-iconv-perl_1.7-5+b7 libtext-wrapi18n-perl_0.06-7.1 libtimedate-perl_2.3000-2 libtinfo5_6.0+20160625-1 libtool_2.4.6-2 libubsan0_6.1.1-11+rpi1 libudev1_230-7+b1 libunistring0_0.9.6+really0.9.3-0.1 libusb-0.1-4_2:0.1.12-30 libustr-1.0-1_1.0.4-5 libuuid1_2.28-6 libxml2_2.9.4+dfsg1-1+b1 linux-libc-dev_3.18.5-1~exp1+rpi19+stretch login_1:4.2-3.1 lsb-base_9.20160629+rpi1 m4_1.4.17-5 make_4.1-9 makedev_2.3.1-93 man-db_2.7.5-1 manpages_4.07-1 mawk_1.3.3-17 mime-support_3.60 mount_2.28-6 multiarch-support_2.23-4 ncurses-base_6.0+20160625-1 ncurses-bin_6.0+20160625-1 netbase_5.3 passwd_1:4.2-3.1 patch_2.7.5-1 perl_5.22.2-3 perl-base_5.22.2-3 perl-modules-5.22_5.22.2-3 po-debconf_1.0.19 procps_2:3.3.12-2 psmisc_22.21-2.1 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_25.2.0-1 python-pygments_2.1.3+dfsg-1 python-roman_2.0.0-2 python-setuptools_25.2.0-1 python-six_1.10.0-3 python-sphinx_1.4.5-1 python-tz_2015.7+dfsg-0.1 python2.7_2.7.12-2 python2.7-minimal_2.7.12-2 python3_3.5.1-4 python3-minimal_3.5.1-4 python3.5_3.5.2-3 python3.5-minimal_3.5.2-3 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_0.59-3.1 systemd_230-7+b1 systemd-sysv_230-7+b1 sysv-rc_2.88dsf-59.8 sysvinit-utils_2.88dsf-59.8 tar_1.29b-1 tzdata_2016f-1 udev_230-7+b1 util-linux_2.28-6 xkb-data_2.17-1 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 Wed Aug 24 11:47:01 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_1.8-1.dsc
dpkg-source: info: extracting chemps2 in chemps2-1.8
dpkg-source: info: unpacking chemps2_1.8.orig.tar.gz
dpkg-source: info: unpacking chemps2_1.8-1.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-f545aecb-ddce-4f80-aada-bcc043aeb93b
SCHROOT_UID=104
SCHROOT_USER=buildd
SHELL=/bin/sh
USER=buildd
dpkg-buildpackage
-----------------
dpkg-buildpackage: info: source package chemps2
dpkg-buildpackage: info: source version 1.8-1
dpkg-buildpackage: info: source distribution unstable
dpkg-source --before-build chemps2-1.8
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 \
-DCMAKE_BUILD_TYPE=release
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 -DCMAKE_BUILD_TYPE=release
-- The C compiler identification is GNU 6.1.1
-- The CXX compiler identification is GNU 6.1.1
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/c++
-- Check for working CXX compiler: /usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Try OpenMP C flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
-- Try OpenMP CXX flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
-- Found OpenMP: -fopenmp
-- Performing Test HAS_IPO
-- Performing Test HAS_IPO - Failed
-- Performing Test HAS_FLTO
-- Performing Test HAS_FLTO - Success
-- Looking for 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.
-- HDF5: Using hdf5 compiler wrapper to determine C configuration
-- HDF5: Using hdf5 compiler wrapper to determine CXX configuration
-- Found HDF5: /usr/lib/arm-linux-gnueabihf/libhdf5_cpp.so;/usr/lib/arm-linux-gnueabihf/hdf5/serial/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
[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o
[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o
[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o
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[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o
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[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o
[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o
[ 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
[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o
[ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o
[ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o
[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o
[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o
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[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o
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[ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o
[ 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
[ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o
[ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o
[ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o
[ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o
[ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o
[ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o
[ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o
[ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o
[ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o
[ 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
[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o
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[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 65%] Built target chemps2-base
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-shared
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 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
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCF.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/Correlations.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/Cumulant.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/Davidson.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DIIS.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRG.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 -fdebug-prefix-map=/<<PKGBUILDDIR>>=. -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 -fdebug-prefix-map=/<<PKGBUILDDIR>>=. -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 7.48 sec
Start 5: test5
2/3 Test #5: test5 ............................ Passed 15.63 sec
Start 8: test8
3/3 Test #8: test8 ............................ Passed 24.05 sec
100% tests passed, 0 tests failed out of 3
Total Test time (real) = 47.18 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) = 10
Energy at sites (8, 9) is -102.726231125607
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -106.852391696446
Stats: nIt(DAVIDSON) = 71
Energy at sites (6, 7) is -106.886929028827
Stats: nIt(DAVIDSON) = 64
Energy at sites (5, 6) is -106.90833215167
Stats: nIt(DAVIDSON) = 43
Energy at sites (4, 5) is -107.634551567339
Stats: nIt(DAVIDSON) = 27
Energy at sites (3, 4) is -107.647975815982
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.647975815982
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.647975815982
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 6.410075 seconds
*** |--> S.join = 0.022737 seconds
*** |--> S.solve = 5.91294 seconds
*** |--> S.split = 0.071059 seconds
*** |--> Tensor update = 0.399017 seconds
*** |--> create = 0.103303 seconds
*** |--> destroy = 0.005943 seconds
*** |--> disk write = 0.086274 seconds
*** |--> disk read = 0.076515 seconds
*** |--> calc = 0.126693 seconds
*** Disk write bandwidth = 6.79185372399093 MB/s
*** Disk read bandwidth = 7.68403621200704 MB/s
*** Minimum energy = -107.647975815982
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.647975815982
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.647975815982
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.647975815982
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.647975815982
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.648005380652
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250448615
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250448615
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250448615
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.126944 seconds
*** |--> S.join = 0.021838 seconds
*** |--> S.solve = 0.674635 seconds
*** |--> S.split = 0.066385 seconds
*** |--> Tensor update = 0.360294 seconds
*** |--> create = 0.0914390000000001 seconds
*** |--> destroy = 0.005796 seconds
*** |--> disk write = 0.09194 seconds
*** |--> disk read = 0.060827 seconds
*** |--> calc = 0.11 seconds
*** Disk write bandwidth = 6.39486655168282 MB/s
*** Disk read bandwidth = 9.63322847063958 MB/s
*** Minimum energy = -107.648250448615
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.648250448615
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.648250448615
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250448615
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250448615
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250448615
Stats: nIt(DAVIDSON) = 6
Energy at sites (4, 5) is -107.648250862802
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.648250972205
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972205
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972205
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.88287 seconds
*** |--> S.join = 0.019449 seconds
*** |--> S.solve = 0.411544 seconds
*** |--> S.split = 0.06934 seconds
*** |--> Tensor update = 0.379438 seconds
*** |--> create = 0.094126 seconds
*** |--> destroy = 0.005617 seconds
*** |--> disk write = 0.091692 seconds
*** |--> disk read = 0.066908 seconds
*** |--> calc = 0.120782 seconds
*** Disk write bandwidth = 6.3905290339789 MB/s
*** Disk read bandwidth = 8.78735025350808 MB/s
*** Minimum energy = -107.648250972205
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250972205
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972205
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972205
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250972205
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.648250972308
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.648250973998
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250973998
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250973998
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.816722 seconds
*** |--> S.join = 0.018013 seconds
*** |--> S.solve = 0.345413 seconds
*** |--> S.split = 0.062003 seconds
*** |--> Tensor update = 0.387312 seconds
*** |--> create = 0.094567 seconds
*** |--> destroy = 0.006211 seconds
*** |--> disk write = 0.106256 seconds
*** |--> disk read = 0.062178 seconds
*** |--> calc = 0.117772 seconds
*** Disk write bandwidth = 5.53327841027066 MB/s
*** Disk read bandwidth = 9.42391823769812 MB/s
*** Minimum energy = -107.648250973998
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.25383001104274e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.648250973998
*** Minimum energy encountered during the last sweep = -107.648250973998
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 6
Energy at sites (8, 9) is -107.648250973999
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.648250974
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -107.648250974002
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.648250974002
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.648250974005
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 = 1.48012 seconds
*** |--> S.join = 0.014545 seconds
*** |--> S.solve = 1.049489 seconds
*** |--> S.split = 0.034892 seconds
*** |--> Tensor update = 0.377336 seconds
*** |--> create = 0.118385 seconds
*** |--> destroy = 0.010944 seconds
*** |--> disk write = 0.1106 seconds
*** |--> disk read = 0.075233 seconds
*** |--> calc = 0.061837 seconds
*** Disk write bandwidth = 5.298014359707 MB/s
*** Disk read bandwidth = 7.81497522047132 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 -107.648250974014
Stats: nIt(DAVIDSON) = 9
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 -107.648250974014
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.869873 seconds
*** |--> S.join = 0.010178 seconds
*** |--> S.solve = 0.430395 seconds
*** |--> S.split = 0.020861 seconds
*** |--> Tensor update = 0.402029 seconds
*** |--> create = 0.135767 seconds
*** |--> destroy = 0.010153 seconds
*** |--> disk write = 0.128445 seconds
*** |--> disk read = 0.077404 seconds
*** |--> calc = 0.049917 seconds
*** Disk write bandwidth = 4.57739912617633 MB/s
*** Disk read bandwidth = 7.57015642839638 MB/s
*** Minimum energy = -107.648250974014
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.5688783605583e-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) = -107.648250974014
NOON of irrep Ag = [ 1.9999953044428 , 1.99487994120305 , 1.9826795407005 ].
NOON of irrep B2g = [ 0.0748715522484193 ].
NOON of irrep B3g = [ 0.0748715523339158 ].
NOON of irrep B1u = [ 1.9999968183922 , 1.98658242715799 , 0.0188079712148004 ].
NOON of irrep B2u = [ 1.93365744613359 ].
NOON of irrep B3u = [ 1.93365744617276 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.0001310094265597 , 0.0515866777150859 , 0.0764971088648055 , 0.257716818856939 , 0.257716818985906 , 8.47155299945112e-05 , 0.0462800403142999 , 0.100736303531078 , 0.241506019687594 , 0.241506019639139 ].
Idistance(0) = 1.30939331229217
Idistance(1) = 5.42402999647801
Idistance(2) = 26.7355488084358
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.092583 seconds
*** |--> MPS gauge change = 0.067988 seconds
*** |--> Diagram calc = 0.056923 seconds
*** |--> Tensor update = 0.961071 seconds
*** |--> create = 0.254225 seconds
*** |--> destroy = 0.017819 seconds
*** |--> disk write = 0.294646 seconds
*** |--> disk read = 0.18279 seconds
*** |--> calc = 0.210091 seconds
*** Disk write bandwidth = 4.04087634570913 MB/s
*** Disk read bandwidth = 6.51363888482856 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 = 0.490367 seconds
FCI::matvec : Wall time = 0.137633 seconds
FCI::matvec : Wall time = 0.408386 seconds
FCI::matvec : Wall time = 0.070081 seconds
FCI::matvec : Wall time = 0.214618 seconds
FCI::matvec : Wall time = 0.406101 seconds
FCI::matvec : Wall time = 1.01682 seconds
FCI::matvec : Wall time = 1.280317 seconds
FCI::matvec : Wall time = 0.776813 seconds
FCI::matvec : Wall time = 3.960455 seconds
FCI::matvec : Wall time = 0.789696 seconds
FCI::matvec : Wall time = 0.511523 seconds
FCI::matvec : Wall time = 2.612441 seconds
FCI::matvec : Wall time = 0.126343 seconds
FCI::matvec : Wall time = 0.0319 seconds
FCI::matvec : Wall time = 0.025003 seconds
FCI::matvec : Wall time = 0.050977 seconds
FCI::matvec : Wall time = 0.025855 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 = 1.15647542325e-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 -104.232407269224
Stats: nIt(DAVIDSON) = 36
Energy at sites (7, 8) is -106.325123948788
Stats: nIt(DAVIDSON) = 43
Energy at sites (6, 7) is -106.531293994517
Stats: nIt(DAVIDSON) = 63
Energy at sites (5, 6) is -107.317972339097
Stats: nIt(DAVIDSON) = 45
Energy at sites (4, 5) is -107.325594921307
Stats: nIt(DAVIDSON) = 22
Energy at sites (3, 4) is -107.328762830313
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.328764415652
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328764415652
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 7.240654 seconds
*** |--> S.join = 0.017238 seconds
*** |--> S.solve = 6.708101 seconds
*** |--> S.split = 0.067646 seconds
*** |--> Tensor update = 0.442698 seconds
*** |--> create = 0.114012 seconds
*** |--> destroy = 0.006398 seconds
*** |--> disk write = 0.10953 seconds
*** |--> disk read = 0.076369 seconds
*** |--> calc = 0.136033 seconds
*** Disk write bandwidth = 7.71319040106734 MB/s
*** Disk read bandwidth = 11.0149639543082 MB/s
*** Minimum energy = -107.328764415652
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328764415652
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328764415652
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328764415652
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.328764417657
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.32876680344
Stats: nIt(DAVIDSON) = 7
Energy at sites (5, 6) is -107.328768891758
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768891758
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768891758
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.216854 seconds
*** |--> S.join = 0.01341 seconds
*** |--> S.solve = 0.724601 seconds
*** |--> S.split = 0.037935 seconds
*** |--> Tensor update = 0.437045 seconds
*** |--> create = 0.118551 seconds
*** |--> destroy = 0.006463 seconds
*** |--> disk write = 0.12302 seconds
*** |--> disk read = 0.079806 seconds
*** |--> calc = 0.10886 seconds
*** Disk write bandwidth = 6.83792702183842 MB/s
*** Disk read bandwidth = 10.5859928404995 MB/s
*** Minimum energy = -107.328768891758
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.328768891758
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.328768891758
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768891758
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768891758
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768891758
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.328768892186
Stats: nIt(DAVIDSON) = 3
Energy at sites (3, 4) is -107.328768897976
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.328768897993
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897992
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.946603 seconds
*** |--> S.join = 0.020615 seconds
*** |--> S.solve = 0.387625 seconds
*** |--> S.split = 0.052906 seconds
*** |--> Tensor update = 0.479329 seconds
*** |--> create = 0.113528 seconds
*** |--> destroy = 0.00579 seconds
*** |--> disk write = 0.111626 seconds
*** |--> disk read = 0.09432 seconds
*** |--> calc = 0.153192 seconds
*** Disk write bandwidth = 7.56835992178262 MB/s
*** Disk read bandwidth = 8.91859395914507 MB/s
*** Minimum energy = -107.328768897993
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768897993
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897992
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768897993
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768897992
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.328768898019
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768898019
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898019
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898019
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.692939 seconds
*** |--> S.join = 0.018032 seconds
*** |--> S.solve = 0.250676 seconds
*** |--> S.split = 0.038524 seconds
*** |--> Tensor update = 0.381559 seconds
*** |--> create = 0.10796 seconds
*** |--> destroy = 0.005873 seconds
*** |--> disk write = 0.09667 seconds
*** |--> disk read = 0.072516 seconds
*** |--> calc = 0.098172 seconds
*** Disk write bandwidth = 8.70178734071131 MB/s
*** Disk read bandwidth = 11.6501978132951 MB/s
*** Minimum energy = -107.328768898019
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 6.26098994871427e-09
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.328768898019
*** Minimum energy encountered during the last sweep = -107.328768898019
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
Energy at sites (8, 9) is -107.32876889802
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -107.328768898026
Stats: nIt(DAVIDSON) = 13
Energy at sites (6, 7) is -107.328768898032
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.328768898032
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.328768898032
Stats: nIt(DAVIDSON) = 15
Energy at sites (3, 4) is -107.328768898032
Stats: nIt(DAVIDSON) = 9
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 = 2.431222 seconds
*** |--> S.join = 0.008008 seconds
*** |--> S.solve = 1.960569 seconds
*** |--> S.split = 0.040817 seconds
*** |--> Tensor update = 0.417407 seconds
*** |--> create = 0.122209 seconds
*** |--> destroy = 0.008333 seconds
*** |--> disk write = 0.116987 seconds
*** |--> disk read = 0.076379 seconds
*** |--> calc = 0.09315 seconds
*** Disk write bandwidth = 7.22153525288199 MB/s
*** Disk read bandwidth = 11.0135218086982 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) = 7
Energy at sites (4, 5) is -107.328768898033
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 = 1.304277 seconds
*** |--> S.join = 0.016991 seconds
*** |--> S.solve = 0.856744 seconds
*** |--> S.split = 0.031992 seconds
*** |--> Tensor update = 0.394787 seconds
*** |--> create = 0.11431 seconds
*** |--> destroy = 0.006168 seconds
*** |--> disk write = 0.100609 seconds
*** |--> disk read = 0.068547 seconds
*** |--> calc = 0.104798 seconds
*** Disk write bandwidth = 8.36109873099387 MB/s
*** Disk read bandwidth = 12.3247661404424 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.37561073643155e-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) = -107.328768898032
NOON of irrep Ag = [ 1.99999672241063 , 1.99571463015022 , 1.98497373604565 ].
NOON of irrep B2g = [ 0.538989905139867 ].
NOON of irrep B3g = [ 0.538989904937805 ].
NOON of irrep B1u = [ 1.99999702947247 , 1.99149890562655 , 0.0194690668363866 ].
NOON of irrep B2u = [ 1.46518504979187 ].
NOON of irrep B3u = [ 1.46518504958853 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862740776288 , 0.0587089374220172 , 0.0554792809651548 , 1.11957630008837 , 1.11957629997876 , 8.52797482361223e-05 , 0.0421718621269614 , 0.105000352891757 , 1.11261995847027 , 1.11261995858169 ].
Idistance(0) = 4.60188108184673
Idistance(1) = 17.7825010796468
Idistance(2) = 85.6947708218347
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.170505 seconds
*** |--> MPS gauge change = 0.080173 seconds
*** |--> Diagram calc = 0.075215 seconds
*** |--> Tensor update = 1.005938 seconds
*** |--> create = 0.269426 seconds
*** |--> destroy = 0.015567 seconds
*** |--> disk write = 0.246036 seconds
*** |--> disk read = 0.166806 seconds
*** |--> calc = 0.306629 seconds
*** Disk write bandwidth = 6.96216826302541 MB/s
*** Disk read bandwidth = 10.2690792343304 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 = 2.661018 seconds
FCI::matvec : Wall time = 0.652877 seconds
FCI::matvec : Wall time = 0.889938 seconds
FCI::matvec : Wall time = 0.102246 seconds
FCI::matvec : Wall time = 0.085368 seconds
FCI::matvec : Wall time = 0.707988 seconds
FCI::matvec : Wall time = 0.322998 seconds
FCI::matvec : Wall time = 0.136692 seconds
FCI::matvec : Wall time = 0.109928 seconds
FCI::matvec : Wall time = 0.829623 seconds
FCI::matvec : Wall time = 1.532206 seconds
FCI::matvec : Wall time = 0.116286 seconds
FCI::matvec : Wall time = 0.358338 seconds
FCI::matvec : Wall time = 0.549858 seconds
FCI::matvec : Wall time = 0.476486 seconds
FCI::matvec : Wall time = 0.241065 seconds
FCI::matvec : Wall time = 0.428428 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 = 1.59292678574e-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) = 15
Energy at sites (8, 9) is -101.644598671635
Stats: nIt(DAVIDSON) = 15
Energy at sites (7, 8) is -106.982880683675
Stats: nIt(DAVIDSON) = 16
Energy at sites (6, 7) is -106.994763004993
Stats: nIt(DAVIDSON) = 16
Energy at sites (5, 6) is -106.995460885949
Stats: nIt(DAVIDSON) = 22
Energy at sites (4, 5) is -106.997370709384
Stats: nIt(DAVIDSON) = 24
Energy at sites (3, 4) is -106.999083098294
Stats: nIt(DAVIDSON) = 13
Energy at sites (2, 3) is -107.007879164766
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007879164766
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 1.876792 seconds
*** |--> S.join = 0.015231 seconds
*** |--> S.solve = 1.464294 seconds
*** |--> S.split = 0.051637 seconds
*** |--> Tensor update = 0.341564 seconds
*** |--> create = 0.084391 seconds
*** |--> destroy = 0.006687 seconds
*** |--> disk write = 0.090206 seconds
*** |--> disk read = 0.064379 seconds
*** |--> calc = 0.095495 seconds
*** Disk write bandwidth = 2.16492929313356 MB/s
*** Disk read bandwidth = 3.01660848713041 MB/s
*** Minimum energy = -107.007879164766
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007879164766
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007879164766
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007879164766
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.00787980145
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.007882051025
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -107.007920329902
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -107.007920334148
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920334148
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.019356 seconds
*** |--> S.join = 0.016368 seconds
*** |--> S.solve = 0.600489 seconds
*** |--> S.split = 0.053471 seconds
*** |--> Tensor update = 0.348273 seconds
*** |--> create = 0.09093 seconds
*** |--> destroy = 0.0076 seconds
*** |--> disk write = 0.090972 seconds
*** |--> disk read = 0.065541 seconds
*** |--> calc = 0.092915 seconds
*** Disk write bandwidth = 2.1347913401153 MB/s
*** Disk read bandwidth = 2.97965566311784 MB/s
*** Minimum energy = -107.007920334148
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.007920334148
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.007920334148
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920334148
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920334148
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -107.007920334202
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.007920348768
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.00792038674
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.007920596419
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596419
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.67948 seconds
*** |--> S.join = 0.015353 seconds
*** |--> S.solve = 0.279618 seconds
*** |--> S.split = 0.040185 seconds
*** |--> Tensor update = 0.341109 seconds
*** |--> create = 0.087452 seconds
*** |--> destroy = 0.008292 seconds
*** |--> disk write = 0.098305 seconds
*** |--> disk read = 0.071387 seconds
*** |--> calc = 0.075342 seconds
*** Disk write bandwidth = 1.98656845345004 MB/s
*** Disk read bandwidth = 2.7204706430158 MB/s
*** Minimum energy = -107.007920596419
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920596419
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596419
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920596419
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.007920596547
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.007920596583
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.007920599389
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599389
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599389
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.514388 seconds
*** |--> S.join = 0.012158 seconds
*** |--> S.solve = 0.167098 seconds
*** |--> S.split = 0.028153 seconds
*** |--> Tensor update = 0.302822 seconds
*** |--> create = 0.090259 seconds
*** |--> destroy = 0.005614 seconds
*** |--> disk write = 0.085919 seconds
*** |--> disk read = 0.06175 seconds
*** |--> calc = 0.058974 seconds
*** Disk write bandwidth = 2.26034099317926 MB/s
*** Disk read bandwidth = 3.16258480674342 MB/s
*** Minimum energy = -107.007920599389
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.65240686303514e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.007920599389
*** Minimum energy encountered during the last sweep = -107.007920599389
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.007920599389
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.007920599392
Stats: nIt(DAVIDSON) = 13
Energy at sites (6, 7) is -107.007920599395
Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -107.007920599395
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.007920599395
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.007920599396
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 = 1.527841 seconds
*** |--> S.join = 0.019957 seconds
*** |--> S.solve = 1.113901 seconds
*** |--> S.split = 0.044026 seconds
*** |--> Tensor update = 0.347551 seconds
*** |--> create = 0.088869 seconds
*** |--> destroy = 0.006211 seconds
*** |--> disk write = 0.087966 seconds
*** |--> disk read = 0.06178 seconds
*** |--> calc = 0.102408 seconds
*** Disk write bandwidth = 2.22005788391431 MB/s
*** Disk read bandwidth = 3.14351307531513 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) = 10
Energy at sites (4, 5) is -107.007920599438
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.007920599439
Stats: nIt(DAVIDSON) = 4
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 = 1.112634 seconds
*** |--> S.join = 0.017761 seconds
*** |--> S.solve = 0.678842 seconds
*** |--> S.split = 0.06046 seconds
*** |--> Tensor update = 0.353699 seconds
*** |--> create = 0.092389 seconds
*** |--> destroy = 0.005859 seconds
*** |--> disk write = 0.09125 seconds
*** |--> disk read = 0.063175 seconds
*** |--> calc = 0.100699 seconds
*** Disk write bandwidth = 2.12828753745719 MB/s
*** Disk read bandwidth = 3.09124830734319 MB/s
*** Minimum energy = -107.007920599439
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.98516783409286e-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 = [ 1.99999761728679 , 1.99817458726483 , 1.99099529625926 ].
NOON of irrep B2g = [ 0.999157310975012 ].
NOON of irrep B3g = [ 0.99915731097263 ].
NOON of irrep B1u = [ 1.99999763398147 , 1.99356772575764 , 0.0151843202654952 ].
NOON of irrep B2u = [ 1.00188409862005 ].
NOON of irrep B3u = [ 1.00188409861683 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624883203229e-05 , 0.0439795134347806 , 0.0191227040090742 , 0.710073263233341 , 0.710073263251702 , 0.000114194275828814 , 0.050198827707918 , 0.0847680566059114 , 0.709393186437631 , 0.709393186420485 ].
Idistance(0) = 1.96740723960534
Idistance(1) = 7.24682976368347
Idistance(2) = 34.6048709822152
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.049298 seconds
*** |--> MPS gauge change = 0.102286 seconds
*** |--> Diagram calc = 0.063207 seconds
*** |--> Tensor update = 0.878449 seconds
*** |--> create = 0.217048 seconds
*** |--> destroy = 0.01598 seconds
*** |--> disk write = 0.25819 seconds
*** |--> disk read = 0.160678 seconds
*** |--> calc = 0.225227 seconds
*** Disk write bandwidth = 1.58488932833802 MB/s
*** Disk read bandwidth = 2.54672435357419 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 = 0.248814 seconds
FCI::matvec : Wall time = 0.019244 seconds
FCI::matvec : Wall time = 0.007332 seconds
FCI::matvec : Wall time = 0.067764 seconds
FCI::matvec : Wall time = 0.007321 seconds
FCI::matvec : Wall time = 0.008086 seconds
FCI::matvec : Wall time = 0.034503 seconds
FCI::matvec : Wall time = 0.084801 seconds
FCI::matvec : Wall time = 0.007424 seconds
FCI::matvec : Wall time = 0.216941 seconds
FCI::matvec : Wall time = 0.007443 seconds
FCI::matvec : Wall time = 0.345103 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 = 5.89212671749e-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) = 10
Energy at sites (8, 9) is -100.953530138349
Stats: nIt(DAVIDSON) = 20
Energy at sites (7, 8) is -105.79301986288
Stats: nIt(DAVIDSON) = 39
Energy at sites (6, 7) is -105.903931069593
Stats: nIt(DAVIDSON) = 50
Energy at sites (5, 6) is -105.907002877002
Stats: nIt(DAVIDSON) = 39
Energy at sites (4, 5) is -106.145556536744
Stats: nIt(DAVIDSON) = 31
Energy at sites (3, 4) is -106.167907701571
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.167907745266
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.167907745266
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 3.604786 seconds
*** |--> S.join = 0.02009 seconds
*** |--> S.solve = 3.183035 seconds
*** |--> S.split = 0.051461 seconds
*** |--> Tensor update = 0.345739 seconds
*** |--> create = 0.085979 seconds
*** |--> destroy = 0.00602 seconds
*** |--> disk write = 0.08509 seconds
*** |--> disk read = 0.06524 seconds
*** |--> calc = 0.103023 seconds
*** Disk write bandwidth = 2.3722942826162 MB/s
*** Disk read bandwidth = 3.07748538449379 MB/s
*** Minimum energy = -106.167907745266
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.167907745266
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.167907745266
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.167907745266
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.167907745266
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -106.168086506568
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.191354310861
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.191354310992
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191354310992
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.816595 seconds
*** |--> S.join = 0.012172 seconds
*** |--> S.solve = 0.440821 seconds
*** |--> S.split = 0.038529 seconds
*** |--> Tensor update = 0.320816 seconds
*** |--> create = 0.091644 seconds
*** |--> destroy = 0.006379 seconds
*** |--> disk write = 0.091318 seconds
*** |--> disk read = 0.062171 seconds
*** |--> calc = 0.068971 seconds
*** Disk write bandwidth = 2.19863714146581 MB/s
*** Disk read bandwidth = 3.24682762876281 MB/s
*** Minimum energy = -106.191354310992
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 106.191354310992
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191354310992
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191354310992
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191354310992
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191354310992
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -106.191395535569
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -106.191465017695
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -106.191465023588
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191465023588
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.683077 seconds
*** |--> S.join = 0.015761 seconds
*** |--> S.solve = 0.308168 seconds
*** |--> S.split = 0.016415 seconds
*** |--> Tensor update = 0.338845 seconds
*** |--> create = 0.089455 seconds
*** |--> destroy = 0.008905 seconds
*** |--> disk write = 0.132082 seconds
*** |--> disk read = 0.066302 seconds
*** |--> calc = 0.041778 seconds
*** Disk write bandwidth = 1.52828182877162 MB/s
*** Disk read bandwidth = 3.02819140424686 MB/s
*** Minimum energy = -106.191465023588
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191465023588
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191465023588
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191465023588
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191465023588
Stats: nIt(DAVIDSON) = 5
Energy at sites (4, 5) is -106.191465093799
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -106.191466496047
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.191466496113
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466496113
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 1.129094 seconds
*** |--> S.join = 0.026165 seconds
*** |--> S.solve = 0.621739 seconds
*** |--> S.split = 0.072321 seconds
*** |--> Tensor update = 0.406916 seconds
*** |--> create = 0.090917 seconds
*** |--> destroy = 0.006416 seconds
*** |--> disk write = 0.097482 seconds
*** |--> disk read = 0.083147 seconds
*** |--> calc = 0.128589 seconds
*** Disk write bandwidth = 2.0596125077899 MB/s
*** Disk read bandwidth = 2.42773065183124 MB/s
*** Minimum energy = -106.191466496113
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 0.000112185121565744
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -106.191466496113
*** Minimum energy encountered during the last sweep = -106.191466496113
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 9
Energy at sites (8, 9) is -106.191466496113
Stats: nIt(DAVIDSON) = 9
Energy at sites (7, 8) is -106.191466496113
Stats: nIt(DAVIDSON) = 8
Energy at sites (6, 7) is -106.191466496113
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -106.191466496116
Stats: nIt(DAVIDSON) = 16
Energy at sites (4, 5) is -106.191466533622
Stats: nIt(DAVIDSON) = 20
Energy at sites (3, 4) is -106.19146657118
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -106.191466571182
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466571182
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.610093 seconds
*** |--> S.join = 0.018838 seconds
*** |--> S.solve = 1.220671 seconds
*** |--> S.split = 0.036462 seconds
*** |--> Tensor update = 0.33061 seconds
*** |--> create = 0.101188 seconds
*** |--> destroy = 0.007497 seconds
*** |--> disk write = 0.0904340000000001 seconds
*** |--> disk read = 0.06807 seconds
*** |--> calc = 0.063088 seconds
*** Disk write bandwidth = 2.2321087257869 MB/s
*** Disk read bandwidth = 2.94953939304209 MB/s
*** Minimum energy = -106.191466571182
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466571182
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466571182
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466571182
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -106.191466571182
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -106.191466571198
Stats: nIt(DAVIDSON) = 18
Energy at sites (5, 6) is -106.191466575657
Stats: nIt(DAVIDSON) = 4
Energy at sites (6, 7) is -106.191466575657
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575657
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 1.319536 seconds
*** |--> S.join = 0.012595 seconds
*** |--> S.solve = 0.904451 seconds
*** |--> S.split = 0.038577 seconds
*** |--> Tensor update = 0.359776 seconds
*** |--> create = 0.088989 seconds
*** |--> destroy = 0.005608 seconds
*** |--> disk write = 0.096018 seconds
*** |--> disk read = 0.066761 seconds
*** |--> calc = 0.102089 seconds
*** Disk write bandwidth = 2.0910157104332 MB/s
*** Disk read bandwidth = 3.02359941444575 MB/s
*** Minimum energy = -106.191466575657
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 7.9544122399966e-08
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575657
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575657
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575657
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -106.191466575657
Stats: nIt(DAVIDSON) = 14
Energy at sites (4, 5) is -106.191466575828
Stats: nIt(DAVIDSON) = 16
Energy at sites (3, 4) is -106.191466575932
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.191466575932
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575932
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 0.946776 seconds
*** |--> S.join = 0.016569 seconds
*** |--> S.solve = 0.560359 seconds
*** |--> S.split = 0.037903 seconds
*** |--> Tensor update = 0.327223 seconds
*** |--> create = 0.094549 seconds
*** |--> destroy = 0.007023 seconds
*** |--> disk write = 0.087951 seconds
*** |--> disk read = 0.066837 seconds
*** |--> calc = 0.07052 seconds
*** Disk write bandwidth = 2.29512479116568 MB/s
*** Disk read bandwidth = 3.00395209965102 MB/s
*** Minimum energy = -106.191466575932
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466575932
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575932
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575932
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -106.191466575932
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -106.191466575932
Stats: nIt(DAVIDSON) = 14
Energy at sites (5, 6) is -106.191466575949
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575949
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 1.159966 seconds
*** |--> S.join = 0.024437 seconds
*** |--> S.solve = 0.683068 seconds
*** |--> S.split = 0.056684 seconds
*** |--> Tensor update = 0.391371 seconds
*** |--> create = 0.090085 seconds
*** |--> destroy = 0.006034 seconds
*** |--> disk write = 0.111238 seconds
*** |--> disk read = 0.071174 seconds
*** |--> calc = 0.112481 seconds
*** Disk write bandwidth = 1.80491510530911 MB/s
*** Disk read bandwidth = 2.83612724460916 MB/s
*** Minimum energy = -106.191466575949
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.91720425593667e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575949
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) = 13
Energy at sites (3, 4) is -106.19146657595
Stats: nIt(DAVIDSON) = 3
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 = 0.824303 seconds
*** |--> S.join = 0.014473 seconds
*** |--> S.solve = 0.436506 seconds
*** |--> S.split = 0.03584 seconds
*** |--> Tensor update = 0.333189 seconds
*** |--> create = 0.101409 seconds
*** |--> destroy = 0.005961 seconds
*** |--> disk write = 0.0806 seconds
*** |--> disk read = 0.06798 seconds
*** |--> calc = 0.076902 seconds
*** Disk write bandwidth = 2.50444814525822 MB/s
*** Disk read bandwidth = 2.95344434369484 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) = 7
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 = 0.978314 seconds
*** |--> S.join = 0.02316 seconds
*** |--> S.solve = 0.535878 seconds
*** |--> S.split = 0.059164 seconds
*** |--> Tensor update = 0.356312 seconds
*** |--> create = 0.107771 seconds
*** |--> destroy = 0.007081 seconds
*** |--> disk write = 0.093008 seconds
*** |--> disk read = 0.059875 seconds
*** |--> calc = 0.088235 seconds
*** Disk write bandwidth = 2.15868684935033 MB/s
*** Disk read bandwidth = 3.37133228405532 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.08002495835535e-12
******************************************************************
*** 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 = [ 1.99999399659786 , 1.99366325754131 , 1.87190049592074 ].
NOON of irrep B2g = [ 0.584814275697713 ].
NOON of irrep B3g = [ 0.584814284536373 ].
NOON of irrep B1u = [ 1.99999783389172 , 1.12096429023761 , 1.00219410866009 ].
NOON of irrep B2u = [ 1.42082872728595 ].
NOON of irrep B3u = [ 1.42082872963062 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128097281219e-05 , 0.0722109499118679 , 0.460791895764708 , 1.13075778446313 , 1.13075779726881 , 6.17502963622175e-05 , 0.977139012835276 , 0.735936475227957 , 1.1204272341955 , 1.12042723282233 ].
Idistance(0) = 5.65234389330072
Idistance(1) = 19.8382955774648
Idistance(2) = 88.8195401408893
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.804015 seconds
*** |--> MPS gauge change = 0.03959 seconds
*** |--> Diagram calc = 0.039144 seconds
*** |--> Tensor update = 0.716222 seconds
*** |--> create = 0.206963 seconds
*** |--> destroy = 0.015375 seconds
*** |--> disk write = 0.20599 seconds
*** |--> disk read = 0.153002 seconds
*** |--> calc = 0.133553 seconds
*** Disk write bandwidth = 2.05029561175982 MB/s
*** Disk read bandwidth = 2.76035864280471 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 = 0.211387 seconds
FCI::matvec : Wall time = 0.216288 seconds
FCI::matvec : Wall time = 0.007453 seconds
FCI::matvec : Wall time = 0.215086 seconds
FCI::matvec : Wall time = 0.008506 seconds
FCI::matvec : Wall time = 0.036366 seconds
FCI::matvec : Wall time = 0.480052 seconds
FCI::matvec : Wall time = 0.263052 seconds
FCI::matvec : Wall time = 0.087507 seconds
FCI::matvec : Wall time = 0.00743 seconds
FCI::matvec : Wall time = 0.118403 seconds
FCI::matvec : Wall time = 0.280761 seconds
FCI::matvec : Wall time = 0.007355 seconds
FCI::matvec : Wall time = 0.228778 seconds
FCI::matvec : Wall time = 0.175884 seconds
FCI::matvec : Wall time = 0.034811 seconds
FCI::matvec : Wall time = 0.008438 seconds
FCI::matvec : Wall time = 0.104768 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 = 8.65810454102e-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) = 13
Energy at sites (8, 9) is -100.571341604092
Stats: nIt(DAVIDSON) = 53
Energy at sites (7, 8) is -106.586435181563
Stats: nIt(DAVIDSON) = 36
Energy at sites (6, 7) is -106.778941760144
Stats: nIt(DAVIDSON) = 68
Energy at sites (5, 6) is -106.91663286572
Stats: nIt(DAVIDSON) = 31
Energy at sites (4, 5) is -107.33528981051
Stats: nIt(DAVIDSON) = 16
Energy at sites (3, 4) is -107.335417419344
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.335418080183
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.335418080183
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 7.542404 seconds
*** |--> S.join = 0.026444 seconds
*** |--> S.solve = 7.000789 seconds
*** |--> S.split = 0.066509 seconds
*** |--> Tensor update = 0.444881 seconds
*** |--> create = 0.113391 seconds
*** |--> destroy = 0.006518 seconds
*** |--> disk write = 0.103648 seconds
*** |--> disk read = 0.071572 seconds
*** |--> calc = 0.149397 seconds
*** Disk write bandwidth = 7.89968567742503 MB/s
*** Disk read bandwidth = 11.3894072918377 MB/s
*** Minimum energy = -107.335418080183
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.335418080183
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.335418080183
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.335418080183
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.335418080748
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.335418116631
Stats: nIt(DAVIDSON) = 18
Energy at sites (5, 6) is -107.346268962199
Stats: nIt(DAVIDSON) = 5
Energy at sites (6, 7) is -107.346273858524
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346273858525
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.887149 seconds
*** |--> S.join = 0.016314 seconds
*** |--> S.solve = 1.3759 seconds
*** |--> S.split = 0.070756 seconds
*** |--> Tensor update = 0.419782 seconds
*** |--> create = 0.110541 seconds
*** |--> destroy = 0.006736 seconds
*** |--> disk write = 0.102825 seconds
*** |--> disk read = 0.066809 seconds
*** |--> calc = 0.132425 seconds
*** Disk write bandwidth = 7.9276699119028 MB/s
*** Disk read bandwidth = 12.2556335388009 MB/s
*** Minimum energy = -107.346273858525
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.346273858525
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346273858525
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346273858525
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346273858524
Stats: nIt(DAVIDSON) = 6
Energy at sites (5, 6) is -107.346273861937
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.346325387439
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.346325553949
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.34632555439
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.34632555439
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 1.357871 seconds
*** |--> S.join = 0.021779 seconds
*** |--> S.solve = 0.825639 seconds
*** |--> S.split = 0.069379 seconds
*** |--> Tensor update = 0.435948 seconds
*** |--> create = 0.109904 seconds
*** |--> destroy = 0.007573 seconds
*** |--> disk write = 0.106001 seconds
*** |--> disk read = 0.066243 seconds
*** |--> calc = 0.145883 seconds
*** Disk write bandwidth = 7.72432921475977 MB/s
*** Disk read bandwidth = 12.3056422367859 MB/s
*** Minimum energy = -107.34632555439
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.34632555439
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.34632555439
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.34632555439
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.34632555439
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.346325554446
Stats: nIt(DAVIDSON) = 6
Energy at sites (5, 6) is -107.346326100489
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -107.346326104116
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326104116
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.985475 seconds
*** |--> S.join = 0.014294 seconds
*** |--> S.solve = 0.512411 seconds
*** |--> S.split = 0.060406 seconds
*** |--> Tensor update = 0.391991 seconds
*** |--> create = 0.111301 seconds
*** |--> destroy = 0.00722 seconds
*** |--> disk write = 0.100363 seconds
*** |--> disk read = 0.067386 seconds
*** |--> calc = 0.105376 seconds
*** Disk write bandwidth = 8.12214320707239 MB/s
*** Disk read bandwidth = 12.1506933353182 MB/s
*** Minimum energy = -107.346326104116
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.22455917177922e-05
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.346326104116
*** Minimum energy encountered during the last sweep = -107.346326104116
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.346326104117
Stats: nIt(DAVIDSON) = 9
Energy at sites (7, 8) is -107.346326104117
Stats: nIt(DAVIDSON) = 12
Energy at sites (6, 7) is -107.346326104118
Stats: nIt(DAVIDSON) = 19
Energy at sites (5, 6) is -107.346326104139
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -107.346326114749
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.346326114775
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.346326114777
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326114777
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 2.82175 seconds
*** |--> S.join = 0.022269 seconds
*** |--> S.solve = 2.313164 seconds
*** |--> S.split = 0.052917 seconds
*** |--> Tensor update = 0.43011 seconds
*** |--> create = 0.110905 seconds
*** |--> destroy = 0.006332 seconds
*** |--> disk write = 0.099339 seconds
*** |--> disk read = 0.07515 seconds
*** |--> calc = 0.138016 seconds
*** Disk write bandwidth = 8.24234813209062 MB/s
*** Disk read bandwidth = 10.847141166885 MB/s
*** Minimum energy = -107.346326114777
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326114777
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326114777
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326114777
Stats: nIt(DAVIDSON) = 8
Energy at sites (3, 4) is -107.346326114777
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.346326114777
Stats: nIt(DAVIDSON) = 18
Energy at sites (5, 6) is -107.346326115018
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -107.346326115019
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115019
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 2.734575 seconds
*** |--> S.join = 0.029531 seconds
*** |--> S.solve = 2.149268 seconds
*** |--> S.split = 0.057486 seconds
*** |--> Tensor update = 0.493472 seconds
*** |--> create = 0.114583 seconds
*** |--> destroy = 0.006823 seconds
*** |--> disk write = 0.12215 seconds
*** |--> disk read = 0.07134 seconds
*** |--> calc = 0.178168 seconds
*** Disk write bandwidth = 6.67345606787889 MB/s
*** Disk read bandwidth = 11.4772444784658 MB/s
*** Minimum energy = -107.346326115019
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.09024824723747e-08
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346326115019
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115019
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326115019
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -107.346326115019
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -107.346326115024
Stats: nIt(DAVIDSON) = 10
Energy at sites (3, 4) is -107.346326115024
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115024
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 2.264194 seconds
*** |--> S.join = 0.034081 seconds
*** |--> S.solve = 1.605598 seconds
*** |--> S.split = 0.071208 seconds
*** |--> Tensor update = 0.54842 seconds
*** |--> create = 0.128593 seconds
*** |--> destroy = 0.00863 seconds
*** |--> disk write = 0.13533 seconds
*** |--> disk read = 0.108722 seconds
*** |--> calc = 0.166615 seconds
*** Disk write bandwidth = 6.05029646858605 MB/s
*** Disk read bandwidth = 7.49767902256587 MB/s
*** Minimum energy = -107.346326115024
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115024
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.346326115024
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.346326115024
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 5
Energy at sites (6, 7) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115025
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 1.486156 seconds
*** |--> S.join = 0.018362 seconds
*** |--> S.solve = 1.011167 seconds
*** |--> S.split = 0.034765 seconds
*** |--> Tensor update = 0.416003 seconds
*** |--> create = 0.120171 seconds
*** |--> destroy = 0.007141 seconds
*** |--> disk write = 0.103712 seconds
*** |--> disk read = 0.074315 seconds
*** |--> calc = 0.110317 seconds
*** Disk write bandwidth = 7.85986827649073 MB/s
*** Disk read bandwidth = 11.0177840421685 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.91171556152403e-12
******************************************************************
*** 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 = [ 1.99999018535271 , 1.99292175193747 , 1.03221285850234 ].
NOON of irrep B2g = [ 1.0241531023637 ].
NOON of irrep B3g = [ 0.0896934286473066 ].
NOON of irrep B1u = [ 1.99999295584647 , 1.95039154252057 , 0.0159495093314371 ].
NOON of irrep B2u = [ 1.91962159306747 ].
NOON of irrep B3u = [ 1.97507307243054 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121323007871026 , 0.04471415163763 , 0.838966989070757 , 0.790658961274626 , 0.317368560278146 , 9.24989503437114e-05 , 0.227634118439419 , 0.0907424571953641 , 0.299652804062045 , 0.133979297229264 ].
Idistance(0) = 1.5721540763448
Idistance(1) = 5.15805448141743
Idistance(2) = 21.9866410332981
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.433391 seconds
*** |--> MPS gauge change = 0.135455 seconds
*** |--> Diagram calc = 0.088636 seconds
*** |--> Tensor update = 1.201942 seconds
*** |--> create = 0.291898 seconds
*** |--> destroy = 0.019512 seconds
*** |--> disk write = 0.281839 seconds
*** |--> disk read = 0.194932 seconds
*** |--> calc = 0.412107 seconds
*** Disk write bandwidth = 5.89295939771077 MB/s
*** Disk read bandwidth = 8.52023158686827 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 = 3.180676 seconds
FCI::matvec : Wall time = 2.090477 seconds
FCI::matvec : Wall time = 3.09872 seconds
FCI::matvec : Wall time = 1.247156 seconds
FCI::matvec : Wall time = 1.050287 seconds
FCI::matvec : Wall time = 0.111639 seconds
FCI::matvec : Wall time = 0.365846 seconds
FCI::matvec : Wall time = 0.245688 seconds
FCI::matvec : Wall time = 0.187767 seconds
FCI::matvec : Wall time = 0.123666 seconds
FCI::matvec : Wall time = 0.046798 seconds
FCI::matvec : Wall time = 0.158742 seconds
FCI::matvec : Wall time = 0.699446 seconds
FCI::matvec : Wall time = 1.140727 seconds
FCI::matvec : Wall time = 0.049537 seconds
FCI::matvec : Wall time = 0.180803 seconds
FCI::matvec : Wall time = 0.211859 seconds
FCI::matvec : Wall time = 0.206477 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 = 4.14231176076e-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) = 15
Energy at sites (8, 9) is -103.320399827135
Stats: nIt(DAVIDSON) = 29
Energy at sites (7, 8) is -106.703889762217
Stats: nIt(DAVIDSON) = 59
Energy at sites (6, 7) is -106.950560378178
Stats: nIt(DAVIDSON) = 56
Energy at sites (5, 6) is -107.184400291836
Stats: nIt(DAVIDSON) = 43
Energy at sites (4, 5) is -107.188648057059
Stats: nIt(DAVIDSON) = 43
Energy at sites (3, 4) is -107.199467995394
Stats: nIt(DAVIDSON) = 12
Energy at sites (2, 3) is -107.199485298956
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199485298956
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 8.20696 seconds
*** |--> S.join = 0.017841 seconds
*** |--> S.solve = 7.446543 seconds
*** |--> S.split = 0.043204 seconds
*** |--> Tensor update = 0.691592 seconds
*** |--> create = 0.1327 seconds
*** |--> destroy = 0.00626 seconds
*** |--> disk write = 0.356808 seconds
*** |--> disk read = 0.071528 seconds
*** |--> calc = 0.123945 seconds
*** Disk write bandwidth = 2.35751130592074 MB/s
*** Disk read bandwidth = 11.7094694614784 MB/s
*** Minimum energy = -107.199485298956
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199485298956
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199485298956
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199485298956
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.199485310005
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.199504642887
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -107.199616182979
Stats: nIt(DAVIDSON) = 7
Energy at sites (6, 7) is -107.199617215666
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617215666
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.81775 seconds
*** |--> S.join = 0.022599 seconds
*** |--> S.solve = 1.329574 seconds
*** |--> S.split = 0.051083 seconds
*** |--> Tensor update = 0.411001 seconds
*** |--> create = 0.112291 seconds
*** |--> destroy = 0.007824 seconds
*** |--> disk write = 0.097312 seconds
*** |--> disk read = 0.071667 seconds
*** |--> calc = 0.121565 seconds
*** Disk write bandwidth = 8.60690286542898 MB/s
*** Disk read bandwidth = 11.7373253246678 MB/s
*** Minimum energy = -107.199617215666
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.199617215666
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.199617215666
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617215666
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617215666
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.199617217236
Stats: nIt(DAVIDSON) = 5
Energy at sites (4, 5) is -107.199617379087
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.199617420986
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.199617421209
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421209
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 1.069208 seconds
*** |--> S.join = 0.007028 seconds
*** |--> S.solve = 0.643962 seconds
*** |--> S.split = 0.047354 seconds
*** |--> Tensor update = 0.366416 seconds
*** |--> create = 0.106085 seconds
*** |--> destroy = 0.006115 seconds
*** |--> disk write = 0.100614 seconds
*** |--> disk read = 0.066554 seconds
*** |--> calc = 0.086694 seconds
*** Disk write bandwidth = 8.36045574217274 MB/s
*** Disk read bandwidth = 12.5845919349795 MB/s
*** Minimum energy = -107.199617421209
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421209
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421209
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421209
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421208
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.199617421277
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -107.199617421835
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.199617421882
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421883
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.792847 seconds
*** |--> S.join = 0.013037 seconds
*** |--> S.solve = 0.309106 seconds
*** |--> S.split = 0.048447 seconds
*** |--> Tensor update = 0.417785 seconds
*** |--> create = 0.110336 seconds
*** |--> destroy = 0.006376 seconds
*** |--> disk write = 0.102583 seconds
*** |--> disk read = 0.073783 seconds
*** |--> calc = 0.124376 seconds
*** Disk write bandwidth = 8.16465624558285 MB/s
*** Disk read bandwidth = 11.4007141759344 MB/s
*** Minimum energy = -107.199617421883
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.06216867582043e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.199617421883
*** Minimum energy encountered during the last sweep = -107.199617421883
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
Energy at sites (8, 9) is -107.199617421884
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -107.199617421886
Stats: nIt(DAVIDSON) = 17
Energy at sites (6, 7) is -107.199617421894
Stats: nIt(DAVIDSON) = 24
Energy at sites (5, 6) is -107.199617421915
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -107.199617421918
Stats: nIt(DAVIDSON) = 13
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 = 3.057337 seconds
*** |--> S.join = 0.023844 seconds
*** |--> S.solve = 2.548938 seconds
*** |--> S.split = 0.050667 seconds
*** |--> Tensor update = 0.429139 seconds
*** |--> create = 0.111052 seconds
*** |--> destroy = 0.006864 seconds
*** |--> disk write = 0.098402 seconds
*** |--> disk read = 0.067409 seconds
*** |--> calc = 0.145071 seconds
*** Disk write bandwidth = 8.5483922485617 MB/s
*** Disk read bandwidth = 12.4249719123652 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) = 5
Energy at sites (3, 4) is -107.199617421919
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.199617421919
Stats: nIt(DAVIDSON) = 18
Energy at sites (5, 6) is -107.199617421919
Stats: nIt(DAVIDSON) = 11
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 = 2.023766 seconds
*** |--> S.join = 0.019079 seconds
*** |--> S.solve = 1.53907 seconds
*** |--> S.split = 0.035091 seconds
*** |--> Tensor update = 0.426671 seconds
*** |--> create = 0.113522 seconds
*** |--> destroy = 0.006169 seconds
*** |--> disk write = 0.116473 seconds
*** |--> disk read = 0.071559 seconds
*** |--> calc = 0.118631 seconds
*** Disk write bandwidth = 7.19097929683811 MB/s
*** Disk read bandwidth = 11.7550398139014 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.62945229426259e-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 = [ 1.99998814651055 , 1.98924041562325 , 1.87687858003996 ].
NOON of irrep B2g = [ 0.139387811237359 ].
NOON of irrep B3g = [ 1.03112739705909 ].
NOON of irrep B1u = [ 1.99999431244146 , 1.10839164050214 , 0.021163695681084 ].
NOON of irrep B2u = [ 1.96715797370362 ].
NOON of irrep B3u = [ 1.86667002720149 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980009686665 , 0.0818410217368235 , 0.449623197877736 , 0.48664505548544 , 0.811029481146346 , 6.68868119294503e-05 , 0.962046613422011 , 0.112095070355157 , 0.16717614984619 , 0.475082461228683 ].
Idistance(0) = 2.3844593900303
Idistance(1) = 9.5799827321769
Idistance(2) = 47.8783646532643
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.265046 seconds
*** |--> MPS gauge change = 0.134262 seconds
*** |--> Diagram calc = 0.089797 seconds
*** |--> Tensor update = 1.03264 seconds
*** |--> create = 0.261511 seconds
*** |--> destroy = 0.016394 seconds
*** |--> disk write = 0.238922 seconds
*** |--> disk read = 0.166907 seconds
*** |--> calc = 0.347398 seconds
*** Disk write bandwidth = 7.13894212165411 MB/s
*** Disk read bandwidth = 10.2191659402532 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 = 0.18868 seconds
FCI::matvec : Wall time = 0.213272 seconds
FCI::matvec : Wall time = 0.232236 seconds
FCI::matvec : Wall time = 0.213207 seconds
FCI::matvec : Wall time = 0.159871 seconds
FCI::matvec : Wall time = 0.402121 seconds
FCI::matvec : Wall time = 0.369378 seconds
FCI::matvec : Wall time = 0.287984 seconds
FCI::matvec : Wall time = 0.142388 seconds
FCI::matvec : Wall time = 0.272226 seconds
FCI::matvec : Wall time = 1.736239 seconds
FCI::matvec : Wall time = 1.357448 seconds
FCI::matvec : Wall time = 0.251084 seconds
FCI::matvec : Wall time = 0.155341 seconds
FCI::matvec : Wall time = 0.152437 seconds
FCI::matvec : Wall time = 0.123568 seconds
FCI::matvec : Wall time = 0.663412 seconds
FCI::matvec : Wall time = 1.192605 seconds
FCI::matvec : Wall time = 1.615067 seconds
FCI::matvec : Wall time = 0.395724 seconds
FCI::matvec : Wall time = 0.075347 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 = 7.84517436936e-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
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[ 69%] Built target chemps2-static
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[ 71%] Built target test14
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[ 73%] Built target test13
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[ 76%] Built target test12
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[ 78%] Built target test11
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[ 80%] Built target test3
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[ 82%] Built target test4
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 84%] Built target test2
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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'
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[ 91%] Built target test5
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[ 93%] Built target test7
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[ 95%] Built target test8
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[ 97%] Built target test9
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[100%] Built target test10
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Install the project...
-- Install configuration: "release"
-- 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/CheMPS2-1.8.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/stqlZKWo/CASPT2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/CASSCF.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/CASSCFdebug.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/CASSCFpt2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/ConjugateGradient.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/ConvergenceScheme.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Correlations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Cumulant.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Davidson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DIIS.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRG.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGfock.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGmpsio.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGoperators.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGoperators3RDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGSCFindices.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGSCFoptions.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGSCFrotations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGSCFunitary.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/DMRGtechnics.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Excitation.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/FCI.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/FourIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Hamiltonian.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Heff.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/HeffDiagonal.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/HeffDiagrams1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/HeffDiagrams2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/HeffDiagrams3.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/HeffDiagrams4.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/HeffDiagrams5.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Initialize.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Irreps.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Molden.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/PrintLicense.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Problem.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Sobject.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/SyBookkeeper.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/Tensor3RDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorF0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorF1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorGYZ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorKM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorL.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorO.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorOperator.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorQ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorS0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorS1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorT.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TensorX.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/ThreeDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TwoDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/TwoIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stqlZKWo/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 libhdf5_cpp.so.11 (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 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 libdl.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: 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 libpthread.so.0 (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 ld-linux-armhf.so.3 (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_1.8-1_armhf.deb'.
dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8-1_armhf.deb'.
dpkg-deb: building package 'python-chemps2-dbgsym' in '../python-chemps2-dbgsym_1.8-1_armhf.deb'.
dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8-1_armhf.deb'.
dpkg-deb: building package 'chemps2' in '../chemps2_1.8-1_armhf.deb'.
dpkg-deb: building package 'python-chemps2' in '../python-chemps2_1.8-1_armhf.deb'.
dpkg-deb: building package 'libchemps2-2' in '../libchemps2-2_1.8-1_armhf.deb'.
dpkg-genchanges --build=any -mRaspbian wandboard test autobuilder <root@raspbian.org> >../chemps2_1.8-1_armhf.changes
dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included)
dpkg-source --after-build chemps2-1.8
dpkg-buildpackage: info: binary-only upload (no source included)
--------------------------------------------------------------------------------
Build finished at 20160830-1132
Finished
--------
I: Built successfully
+------------------------------------------------------------------------------+
| Post Build Chroot |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Changes |
+------------------------------------------------------------------------------+
chemps2_1.8-1_armhf.changes:
----------------------------
Format: 1.8
Date: Wed, 24 Aug 2016 10:30:29 +0200
Source: chemps2
Binary: libchemps2-2 libchemps2-dev chemps2-doc chemps2 python-chemps2
Architecture: armhf
Version: 1.8-1
Distribution: stretch-staging
Urgency: medium
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 (1.8-1) unstable; urgency=medium
.
* LTS release upstream
* Bug fix linear Davidson algo (CASPT2)
* Bug fix MPI in executable.cpp
* MOLCAS interface
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Files:
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9e0e2e96abed4f442da6280b03ea89e8 23682 science optional chemps2_1.8-1_armhf.deb
aaa2c2544ce0c8f999d9172cf9a74fe9 1209292 debug extra libchemps2-2-dbgsym_1.8-1_armhf.deb
e908a23abdbd18b5e23d770d1b99c518 380780 libs optional libchemps2-2_1.8-1_armhf.deb
f033c8338202e9581877b7af1009e1c4 6542558 libdevel optional libchemps2-dev_1.8-1_armhf.deb
881e2f742a7efc76af029ce0ed367761 275578 debug extra python-chemps2-dbgsym_1.8-1_armhf.deb
8227b9bac9014c418669a363a5ff063b 68852 python optional python-chemps2_1.8-1_armhf.deb
+------------------------------------------------------------------------------+
| Package contents |
+------------------------------------------------------------------------------+
chemps2-dbgsym_1.8-1_armhf.deb
------------------------------
new debian package, version 2.0.
size 69404 bytes: control archive=488 bytes.
401 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: chemps2-dbgsym
Source: chemps2
Version: 1.8-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 88
Depends: chemps2 (= 1.8-1)
Section: debug
Priority: extra
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Debug symbols for chemps2
Auto-Built-Package: debug-symbols
Build-Ids: 8e8220ab64d7661eece47c8b58bf1006601fa632
drwxr-xr-x root/root 0 2016-08-24 08:30 ./
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/debug/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/debug/.build-id/8e/
-rw-r--r-- root/root 79380 2016-08-24 08:30 ./usr/lib/debug/.build-id/8e/8220ab64d7661eece47c8b58bf1006601fa632.debug
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/doc/
lrwxrwxrwx root/root 0 2016-08-24 08:30 ./usr/share/doc/chemps2-dbgsym -> chemps2
chemps2_1.8-1_armhf.deb
-----------------------
new debian package, version 2.0.
size 23682 bytes: control archive=1270 bytes.
1758 bytes, 36 lines control
327 bytes, 5 lines md5sums
Package: chemps2
Version: 1.8-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 64
Depends: libc6 (>= 2.4), libchemps2-2 (= 1.8-1), 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 2016-08-24 08:30 ./
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/bin/
-rwxr-xr-x root/root 47008 2016-08-24 08:30 ./usr/bin/chemps2
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/doc/chemps2/
lrwxrwxrwx root/root 0 2016-08-24 08:30 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 1009 2016-08-24 08:30 ./usr/share/doc/chemps2/changelog.Debian.gz
-rw-r--r-- root/root 1222 2016-08-24 07:54 ./usr/share/doc/chemps2/changelog.gz
-rw-r--r-- root/root 1292 2016-08-24 08:30 ./usr/share/doc/chemps2/copyright
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/man/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/man/man1/
-rw-r--r-- root/root 2870 2016-08-24 08:30 ./usr/share/man/man1/chemps2.1.gz
libchemps2-2-dbgsym_1.8-1_armhf.deb
-----------------------------------
new debian package, version 2.0.
size 1209292 bytes: control archive=495 bytes.
418 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: libchemps2-2-dbgsym
Source: chemps2
Version: 1.8-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 1333
Depends: libchemps2-2 (= 1.8-1)
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: a32902f230bc7a76a44be46a8fa8ef3917bab984
drwxr-xr-x root/root 0 2016-08-24 08:30 ./
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/debug/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/debug/.build-id/a3/
-rw-r--r-- root/root 1354160 2016-08-24 08:30 ./usr/lib/debug/.build-id/a3/2902f230bc7a76a44be46a8fa8ef3917bab984.debug
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/
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lrwxrwxrwx root/root 0 2016-08-24 08:30 ./usr/share/doc/libchemps2-2-dbgsym -> libchemps2-2
libchemps2-2_1.8-1_armhf.deb
----------------------------
new debian package, version 2.0.
size 380780 bytes: control archive=10259 bytes.
1710 bytes, 33 lines control
451 bytes, 6 lines md5sums
26 bytes, 1 lines shlibs
64090 bytes, 1065 lines symbols
60 bytes, 2 lines triggers
Package: libchemps2-2
Source: chemps2
Version: 1.8-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 1273
Depends: libblas3 | libblas.so.3, libc6 (>= 2.4), libgcc1 (>= 1:3.5), libgomp1 (>= 4.9), libhdf5-10, libhdf5-cpp-11 (>= 1.8.13), 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 2016-08-24 08:30 ./
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/arm-linux-gnueabihf/
-rw-r--r-- root/root 1213532 2016-08-24 08:30 ./usr/lib/arm-linux-gnueabihf/libchemps2.so.2
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/doc/
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lrwxrwxrwx root/root 0 2016-08-24 08:30 ./usr/share/doc/libchemps2-2/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 5460 2016-08-24 07:54 ./usr/share/doc/libchemps2-2/FILES.md.gz
-rw-r--r-- root/root 1960 2016-08-24 07:54 ./usr/share/doc/libchemps2-2/README.md.gz
-rw-r--r-- root/root 1009 2016-08-24 08:30 ./usr/share/doc/libchemps2-2/changelog.Debian.gz
-rw-r--r-- root/root 1222 2016-08-24 07:54 ./usr/share/doc/libchemps2-2/changelog.gz
-rw-r--r-- root/root 1292 2016-08-24 08:30 ./usr/share/doc/libchemps2-2/copyright
libchemps2-dev_1.8-1_armhf.deb
------------------------------
new debian package, version 2.0.
size 6542558 bytes: control archive=2621 bytes.
1637 bytes, 36 lines control
3675 bytes, 55 lines md5sums
Package: libchemps2-dev
Source: chemps2
Version: 1.8-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 7491
Depends: libchemps2-2 (= 1.8-1)
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 2016-08-24 08:30 ./
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/include/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/include/chemps2/
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-rw-r--r-- root/root 31090 2016-08-24 07:54 ./usr/include/chemps2/CASSCF.h
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-rw-r--r-- root/root 5460 2016-08-24 07:54 ./usr/include/chemps2/ConvergenceScheme.h
-rw-r--r-- root/root 14687 2016-08-24 07:54 ./usr/include/chemps2/Correlations.h
-rw-r--r-- root/root 10202 2016-08-24 07:54 ./usr/include/chemps2/Cumulant.h
-rw-r--r-- root/root 4326 2016-08-24 07:54 ./usr/include/chemps2/DIIS.h
-rw-r--r-- root/root 15179 2016-08-24 07:54 ./usr/include/chemps2/DMRG.h
-rw-r--r-- root/root 6579 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFindices.h
-rw-r--r-- root/root 10507 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFintegrals.h
-rw-r--r-- root/root 4031 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFmatrix.h
-rw-r--r-- root/root 10336 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFoptions.h
-rw-r--r-- root/root 5093 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFrotations.h
-rw-r--r-- root/root 9459 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFunitary.h
-rw-r--r-- root/root 5006 2016-08-24 07:54 ./usr/include/chemps2/DMRGSCFwtilde.h
-rw-r--r-- root/root 5042 2016-08-24 07:54 ./usr/include/chemps2/Davidson.h
-rw-r--r-- root/root 13377 2016-08-24 07:54 ./usr/include/chemps2/EdmistonRuedenberg.h
-rw-r--r-- root/root 4697 2016-08-24 07:54 ./usr/include/chemps2/Excitation.h
-rw-r--r-- root/root 43118 2016-08-24 07:54 ./usr/include/chemps2/FCI.h
-rw-r--r-- root/root 8751 2016-08-24 07:54 ./usr/include/chemps2/FourIndex.h
-rw-r--r-- root/root 9982 2016-08-24 07:54 ./usr/include/chemps2/Hamiltonian.h
-rw-r--r-- root/root 18516 2016-08-24 07:54 ./usr/include/chemps2/Heff.h
-rw-r--r-- root/root 1296 2016-08-24 07:54 ./usr/include/chemps2/Initialize.h
-rw-r--r-- root/root 7775 2016-08-24 07:54 ./usr/include/chemps2/Irreps.h
-rw-r--r-- root/root 2404 2016-08-24 07:54 ./usr/include/chemps2/Lapack.h
-rw-r--r-- root/root 12471 2016-08-24 07:54 ./usr/include/chemps2/MPIchemps2.h
-rw-r--r-- root/root 2611 2016-08-24 07:54 ./usr/include/chemps2/Molden.h
-rw-r--r-- root/root 1184 2016-08-24 07:54 ./usr/include/chemps2/MyHDF5.h
-rw-r--r-- root/root 3732 2016-08-24 07:54 ./usr/include/chemps2/Options.h
-rw-r--r-- root/root 6815 2016-08-24 07:54 ./usr/include/chemps2/Problem.h
-rw-r--r-- root/root 9088 2016-08-24 07:54 ./usr/include/chemps2/Sobject.h
-rw-r--r-- root/root 3216 2016-08-24 07:54 ./usr/include/chemps2/Special.h
-rw-r--r-- root/root 8295 2016-08-24 07:54 ./usr/include/chemps2/SyBookkeeper.h
-rw-r--r-- root/root 3691 2016-08-24 07:54 ./usr/include/chemps2/Tensor.h
-rw-r--r-- root/root 5235 2016-08-24 07:54 ./usr/include/chemps2/Tensor3RDM.h
-rw-r--r-- root/root 2838 2016-08-24 07:54 ./usr/include/chemps2/TensorF0.h
-rw-r--r-- root/root 2844 2016-08-24 07:54 ./usr/include/chemps2/TensorF1.h
-rw-r--r-- root/root 2013 2016-08-24 07:54 ./usr/include/chemps2/TensorGYZ.h
-rw-r--r-- root/root 2117 2016-08-24 07:54 ./usr/include/chemps2/TensorKM.h
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-rw-r--r-- root/root 2824 2016-08-24 07:54 ./usr/include/chemps2/TensorO.h
-rw-r--r-- root/root 9639 2016-08-24 07:54 ./usr/include/chemps2/TensorOperator.h
-rw-r--r-- root/root 4807 2016-08-24 07:54 ./usr/include/chemps2/TensorQ.h
-rw-r--r-- root/root 2855 2016-08-24 07:54 ./usr/include/chemps2/TensorS0.h
-rw-r--r-- root/root 2513 2016-08-24 07:54 ./usr/include/chemps2/TensorS1.h
-rw-r--r-- root/root 5836 2016-08-24 07:54 ./usr/include/chemps2/TensorT.h
-rw-r--r-- root/root 4012 2016-08-24 07:54 ./usr/include/chemps2/TensorX.h
-rw-r--r-- root/root 13695 2016-08-24 07:54 ./usr/include/chemps2/ThreeDM.h
-rw-r--r-- root/root 9993 2016-08-24 07:54 ./usr/include/chemps2/TwoDM.h
-rw-r--r-- root/root 3140 2016-08-24 07:54 ./usr/include/chemps2/TwoIndex.h
-rw-r--r-- root/root 3713 2016-08-24 07:54 ./usr/include/chemps2/Wigner.h
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/arm-linux-gnueabihf/
-rw-r--r-- root/root 7231628 2016-08-24 08:30 ./usr/lib/arm-linux-gnueabihf/libchemps2.a
lrwxrwxrwx root/root 0 2016-08-24 08:30 ./usr/lib/arm-linux-gnueabihf/libchemps2.so -> libchemps2.so.2
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/doc/libchemps2-dev/
lrwxrwxrwx root/root 0 2016-08-24 08:30 ./usr/share/doc/libchemps2-dev/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 1009 2016-08-24 08:30 ./usr/share/doc/libchemps2-dev/changelog.Debian.gz
-rw-r--r-- root/root 1222 2016-08-24 07:54 ./usr/share/doc/libchemps2-dev/changelog.gz
-rw-r--r-- root/root 1292 2016-08-24 08:30 ./usr/share/doc/libchemps2-dev/copyright
python-chemps2-dbgsym_1.8-1_armhf.deb
-------------------------------------
new debian package, version 2.0.
size 275578 bytes: control archive=498 bytes.
423 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: python-chemps2-dbgsym
Source: chemps2
Version: 1.8-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 317
Depends: python-chemps2 (= 1.8-1)
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: d6ddd6430e93351c54a4bdb9136b068c8b8640f8
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drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/debug/.build-id/d6/
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drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/doc/
lrwxrwxrwx root/root 0 2016-08-24 08:30 ./usr/share/doc/python-chemps2-dbgsym -> python-chemps2
python-chemps2_1.8-1_armhf.deb
------------------------------
new debian package, version 2.0.
size 68852 bytes: control archive=1295 bytes.
1761 bytes, 35 lines control
418 bytes, 5 lines md5sums
Package: python-chemps2
Source: chemps2
Version: 1.8-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 250
Depends: python-numpy (>= 1:1.10.0~b1), python-numpy-abi9, python (<< 2.8), python (>= 2.7~), python:any (<< 2.8), python:any (>= 2.7~), libc6 (>= 2.4), libchemps2-2 (= 1.8-1), 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 2016-08-24 08:30 ./
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/
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drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/lib/python2.7/dist-packages/
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drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/doc/
drwxr-xr-x root/root 0 2016-08-24 08:30 ./usr/share/doc/python-chemps2/
lrwxrwxrwx root/root 0 2016-08-24 08:30 ./usr/share/doc/python-chemps2/CHANGELOG.md.gz -> changelog.gz
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-rw-r--r-- root/root 1222 2016-08-24 07:54 ./usr/share/doc/python-chemps2/changelog.gz
-rw-r--r-- root/root 1292 2016-08-24 08:30 ./usr/share/doc/python-chemps2/copyright
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+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
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+------------------------------------------------------------------------------+
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+------------------------------------------------------------------------------+
| Summary |
+------------------------------------------------------------------------------+
Build Architecture: armhf
Build-Space: 67184
Build-Time: 1325
Distribution: stretch-staging
Host Architecture: armhf
Install-Time: 749
Job: chemps2_1.8-1
Machine Architecture: armhf
Package: chemps2
Package-Time: 2127
Source-Version: 1.8-1
Space: 67184
Status: successful
Version: 1.8-1
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Finished at 20160830-1132
Build needed 00:35:27, 67184k disc space