[gpaw-users] python2.7 gpaw-1.4.0 test Errors/results

[Jens Jørgen Mortensen]

On 1/14/19 12:11 PM, Alva Dillon wrote:
> I got a lot of test errors. Although the build was successful without 
> any errors.
>
> (py36) [alvadillon at compute-1-21 gpaw-1.5.0]$ gpaw test -j 4
>
> python-3.6.8 /home/alvadillon/builds/miniconda2/envs/py36/bin/python
>
> gpaw-1.5.0               /home/alvadillon/builds/gpaw-1.5.0/gpaw/
>
> ase-3.17.0 
> /home/alvadillon/.local/lib/python3.6/site-packages/ase-3.17.0-py3.6.egg/ase/
>
> numpy-1.14.3 
> /home/gieseking-lab/intel/intelpython3/lib/python3.6/site-packages/numpy/
>
> scipy-1.1.0 
> /home/gieseking-lab/intel/intelpython3/lib/python3.6/site-packages/scipy/
>
> _gpaw 
> /home/alvadillon/.local/lib/python3.6/site-packages/_gpaw.cpython-36m-x86_64-linux-gnu.so 
> <http://gpaw.cpython-36m-x86_64-linux-gnu.so>
>
> parallel /home/alvadillon/builds/miniconda2/envs/py36/bin/gpaw-python
>
> MPI enabled              no
>
> scalapack               no (MPI unavailable)
>
> Elpa                 no (MPI unavailable)
>
> FFTW                 yes
>
> libvdwxc                 no
>
> PAW-datasets             1: /home/alvadillon/builds/gpaw-setups-0.9.20000
>
>                 2: /usr/local/share/gpaw-setups
>
>                 3: /usr/share/gpaw-setups
>
> Running tests in /tmp/gpaw-test-hsb1io7n
>
> Jobs: 4, Cores: 1, debug-mode: False
>
> =============================================================================
>
> linalg/gemm_complex.py                       0.026  OK
>
>
...


> pw/reallfc.py                                 0.100  FAILED!
>
> #############################################################################
>
> Traceback (most recent call last):
>
>   File "/home/alvadillon/builds/gpaw-1.5.0/gpaw/test/__init__.py", 
> line 664, in run_one
>
> exec(compile(fd.read(), filename, 'exec'), loc)
>
>   File "/home/alvadillon/builds/gpaw-1.5.0/gpaw/test/pw/reallfc.py", 
> line 42, in <module>
>
> lfc.add(b, c_axi)
>
>   File "/home/alvadillon/builds/gpaw-1.5.0/gpaw/wavefunctions/pw.py", 
> line 1567, in add
>
>     f_GI = self.expand(q, G1, G2, cc=False)
>
>   File "/home/alvadillon/builds/gpaw-1.5.0/gpaw/wavefunctions/pw.py", 
> line 1509, in expand
>
>     cc, f_GI)
>
> TypeError: function takes exactly 9 arguments (8 given)
>

It looks like your new version 1.5 Python code is picking up the old 
C-code extension module (_gpaw.so).  You are getting it from:


/home/alvadillon/.local/lib/python3.6/site-packages/_gpaw.cpython-36m-x86_64-linux-gnu.so 
<http://gpaw.cpython-36m-x86_64-linux-gnu.so>


But it must be some left-over from an earlier build of GPAW.


Jens Jørgen


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20190114/50ac6ba5/attachment.html>