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

[Toma Susi]

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 <http://mostlyphysics.net/>

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