[gpaw-users] gpaw test/info doesn't run, gpaw-python does

Tristan Maxson tgmaxson at gmail.com
Wed Feb 8 15:58:10 CET 2017


For the sake of clarifying the problem, what happens if you run gpaw-python
`which gpaw-test`.

Thank you,
Tristan Maxson

On Wed, Feb 8, 2017 at 9:31 AM, Toma Susi via gpaw-users <
gpaw-users at listserv.fysik.dtu.dk> wrote:

> Hi,
>
> I tried to compile the latest versions of gpaw and ase on the Vienna
> cluster, and although everything seems to go fine, I cannot run any of the
> "gpaw test" or "gpaw info" etc binaries:
>
> [susit7 at l21 gpaw-1.2.0]$ gpaw test
> Traceback (most recent call last):
>   File "/home/lv70306/susit7/.local/bin/gpaw", line 2, in <module>
>     from gpaw.cli.main import main
>   File "/home/lv70306/susit7/.local/lib/python2.6/site-packages/gpaw/__init__.py",
> line 239, in <module>
>     from gpaw.calculator import GPAW
>   File "/home/lv70306/susit7/.local/lib/python2.6/site-packages/gpaw/calculator.py",
> line 11, in <module>
>     import gpaw.mpi as mpi
>   File "/home/lv70306/susit7/.local/lib/python2.6/site-packages/gpaw/mpi/__init__.py",
> line 16, in <module>
>     from gpaw.utilities import is_contiguous
>   File "/home/lv70306/susit7/.local/lib/python2.6/site-packages/gpaw/utilities/__init__.py",
> line 13, in <module>
>     import _gpaw
> ImportError: /home/lv70306/susit7/.local/lib/python2.6/site-packages/_gpaw.so:
> undefined symbol: xc_functional_get_number
>
>
> However, if I go into interactive python via gpaw-python, I can run all of
> those imports without any issue:
>
> [susit7 at l21 gpaw-1.2.0]$ gpaw-python
> Python 2.6.6 (r266:84292, Jul 22 2015, 16:47:47)
> [GCC 4.4.7 20120313 (Red Hat 4.4.7-16)] on linux2
> Type "help", "copyright", "credits" or "license" for more information.
> >>> from gpaw.cli.main import main
> >>> from gpaw.calculator import GPAW
> >>> import gpaw.mpi as mpi
> >>> from gpaw.utilities import is_contiguous
> >>> import _gpaw
>
>
> Any idea what is going on?
>
> ------------------------------
> Dr. Toma Susi
> Principal investigator
> FWF Project HeQuCoG
> University of Vienna, Austria
> http://mostlyphysics.net
>
>
> _______________________________________________
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> gpaw-users at listserv.fysik.dtu.dk
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>
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