[gpaw-users] [gpaw-developers] gpaw tests fail on Ubuntu 12.04

[Stefan Taubert]

Hi Marcin and gpaw-community,

since you apparently wanted to take the conversation to
gpaw-users-list, I switch to this email address.

> What do you get from:
> which gpaw-python
/usr/bin/gpaw-python
> gpaw-python -c "from gpaw.version import version; print version; import gpaw; print gpaw.__file__"
0.9.0.8965
/usr/lib/python2.7/dist-packages/gpaw/__init__.py
> gpaw-python -c "from ase.version import version; print version; import ase; print ase.__file__"
3.6.0.2515
/usr/lib/python2.7/dist-packages/ase/__init__.py
> echo $GPAW_SETUP_PATH
/l/Programs/GPAW/gpaw-setups/gpaw-setups-0.8.7929


I.e., it is GPAW 0.9.0 rev 8965 in combination with ASE 3.6.0 rev
2515, as suggested on the GPAW web page, in combination with setups
version 0.8 rev 7929 as you suggested below.


Best Regards,
Stefan


2013/1/25 Marcin Dulak <Marcin.Dulak at fysik.dtu.dk>:
> Hi,
>
> On 01/25/13 14:27, Taubert Stefan wrote:
>
>
> Hi Marcin,
>
> Thank you for a very fast reply!
>
> so it is apparently an error on this page
> https://wiki.fysik.dtu.dk/gpaw/setups/setups.html#setups
> that one should use the newest setups for version 0.9? Or did I
> misunderstand something :) ?
>
> the details are described in the link
> https://listserv.fysik.dtu.dk/pipermail/gpaw-developers/2013-January/003496.html
>
>
> Anyway, simply changing to using the older setups 0.8 (revision 7929, as
> suggested on the web page) does not help. Tests keep failing (not all tests
> through yet, though).
>
> the versions installed from the repository should work.
> What do you get from:
> which gpaw-python
> gpaw-python -c "from gpaw.version import version; print version; import
> gpaw; print gpaw.__file__"
> gpaw-python -c "from ase.version import version; print version; import ase;
> print ase.__file__"
> echo $GPAW_SETUP_PATH
>
> Best regards,
>
> Marcin
>
>
> Can there be any version problems between ase and gpaw causing this? From
> the repo, both should be new versions? Also, when installing by hand, I have
> used the recommended combination (GPAW 0.9/ASE 3.6.0), with the same tests
> failing.
>
> Regards,
> Stefan
>
>
>
> ________________________________
> From: Marcin Dulak [Marcin.Dulak at fysik.dtu.dk]
> Sent: Friday, January 25, 2013 15:00
> To: Taubert Stefan
> Cc: gpaw-developers at listserv.fysik.dtu.dk
> Subject: Re: [gpaw-developers] gpaw tests fail on Ubuntu 12.04
>
> Hi,
>
> it looks like if you use the latest 0.9 setups from
> https://wiki.fysik.dtu.dk/gpaw/setups/setups.html
> and not the ones (0.8 version) available from the repository.
> The problem and solution is described here:
> https://listserv.fysik.dtu.dk/pipermail/gpaw-developers/2013-January/003496.html
>
> Best regards,
>
> Marcin
>
> On 01/25/13 13:51, Taubert Stefan wrote:
>
> Dear gpaw-developers,
>
> I (on my personal work computer where I have sudo rights) and our computer
> support installed gpaw from the opensuse repo as described on
> https://wiki.fysik.dtu.dk/ase/download.html#installation-with-package-manager-on-linux
>
> 19 tests fail, as seen in attached test_centrally_installed.log
>
> If I install by hand, not system-wide but user-wise using svn and compiling
> as in "Developer installation" instructions, then 17 tests fail, as seen in
> test_0.9.0_new.log
>
> The following library and compiler versions are relevant, I hope I managed
> to find them all for you. (google just taught me the dpkg -l command)
>
> mpi-default-dev                      1.0.1
> mpich2                               1.4.1-1ubuntu1
> libblas-dev                          1.2.20110419-2ubuntu1
> libblas3gf                           1.2.20110419-2ubuntu1
> gcc (Ubuntu/Linaro 4.6.3-1ubuntu5) 4.6.3
> python-numpy                         1:1.6.1-6ubuntu1
> python 2.7                              2.7.3-0ubuntu3.1
> liblapack-dev                        3.3.1-1
>  liblapack3gf                         3.3.1-1
>
> Please ask, if you need more info. I hope you can provide som help.
>
> Sincerely,
> Stefan Taubert
> Aalto University
>
>
>
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>
>
>
> --
> ***********************************
>
> Marcin Dulak
> Technical University of Denmark
> Department of Physics
> Building 307, Room 229
> DK-2800 Kongens Lyngby
> Denmark
> Tel.: (+45) 4525 3157
> Fax.: (+45) 4593 2399
> email: Marcin.Dulak at fysik.dtu.dk
>
> ***********************************
>
>
>
> --
> ***********************************
>
> Marcin Dulak
> Technical University of Denmark
> Department of Physics
> Building 307, Room 229
> DK-2800 Kongens Lyngby
> Denmark
> Tel.: (+45) 4525 3157
> Fax.: (+45) 4593 2399
> email: Marcin.Dulak at fysik.dtu.dk
>
> ***********************************
>
>
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