[gpaw-users] Running GPAW tests during build

[Jens Jørgen Mortensen]

On 06/18/2016 08:37 PM, Marcin Dulak wrote:
> Hi,
>
> on Fedora I noticed that "parallel        no" is reported by the 
> tests, what can be causing this?
> Note that "scalapack       yes" and parallel/submatrix_redist.py runs.

It's because gpaw-python is not in $PATH.

> mpiexec -np 4 build_openmpi/bin.linux-x86_64-2.7/gpaw-python 
> /home/vagrant/rpmbuild/BUILD/gpaw-1.0.0/python2/tools/gpaw-test 
> --range=linalg/gemm_complex.py,fileio/restart.py --debug
> which: no gpaw-python in 
> (/home/vagrant/rpmbuild/BUILD/gpaw-1.0.0/python2/tools:/home/vagrant/rpmbuild/BUILD/gpaw-1.0.0/python3/tools:/usr/lib64/openmpi/bin:/home/vagrant/rpmbuild/B
> UILD/gpaw-1.0.0/python2/tools:/home/vagrant/rpmbuild/BUILD/gpaw-1.0.0/python3/tools:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/home/vagrant/.local/bin:/home/vagrant/bin)
> python-2.7.11 
> /home/vagrant/rpmbuild/BUILD/gpaw-1.0.0/python2/build_openmpi/bin.linux-x86_64-2.7/gpaw-python
> gpaw-1.0.0 
> /home/vagrant/rpmbuild/BUILD/gpaw-1.0.0/python2/build/lib.linux-x86_64-2.7/gpaw/
> ase-3.11.0      /usr/lib/python2.7/site-packages/ase/
> numpy-1.9.2     /usr/lib64/python2.7/site-packages/numpy/
> scipy-0.14.1    /usr/lib64/python2.7/site-packages/scipy/
> _gpaw           built-in
> parallel        no
> FFTW            no
> scalapack       yes
> libvdwxc        no
> PAW-datasets    /usr/local/share/gpaw-setups:
>                 /usr/share/gpaw-setups
> Running tests in /tmp/gpaw-test-QfZtl2
> Jobs: 1, Cores: 4, debug-mode: True
> =============================================================================
> ...
> fileio/hdf5_noncontiguous.py                  0.065  OK
> eigen/cg2.py                                  0.059  OK
> fd_ops/laplace.py                             0.000  SKIPPED
> ...
> parallel/submatrix_redist.py                  0.045  OK
>
>
> Two more questions:
>
> 1. is hdf5 expected to work with python3?

No, it has not been ported to Python 3.  It's not high priority to port 
it - we could simply switch to h5py instead.

>
> 2. python 3 does not have libpython3.4.so <http://libpython3.4.so>, 
> only libpython3.4m.so <http://libpython3.4m.so>. Some systems 
> (Debian/Ubuntu) provide a symbolic link to libpython3.4m.so 
> <http://libpython3.4m.so>, but that's not the case of Fedora.
> Can you make a survey on the gpaw-users if all python versions provide 
> get_config_vars()['BLDLIBRARY'] so it can be used in config.py instead 
> of assuming '-lpython%s' % cfgDict['VERSION']?
>
> $ python3 -c "from distutils.sysconfig import get_config_vars; 
> print(get_config_vars()['BLDLIBRARY'])"
> -L. -lpython3.4m
> $ python -c "from distutils.sysconfig import get_config_vars; 
> print(get_config_vars()['BLDLIBRARY'])"
> -L. -lpython2.7

It works OK on the computers I have access to.  I would say it's OK to 
do as you suggest.  If you already tried this then please send me a 
patch or create a merge request.

Thanks!

Jens Jørgen

>
> Best regards,
>
> Marcin
>
>
> On Fri, Jun 17, 2016 at 11:36 AM, Graham Inggs <graham.inggs at gmail.com 
> <mailto:graham.inggs at gmail.com>> wrote:
>
>     On 17/06/2016 11:28, Ask Hjorth Larsen wrote:
>
>         The tests are ordered roughly by how expensive they are to run.
>         --from TEST means run all tests after the given one (you want
>         to check
>         that your fix changed the currently failing test, but you
>         don't want
>         to run all the unrelated ones that did not fail anyway),
>         --after TEST
>         means the same but do not include the given one (you want to
>         avoid a
>         parallel deadlock or segfault which crashed the test suite).  --to
>         does not exist yet.  --range would correspond to both a --from
>         and a
>         --to, but I think they should just be separate keywords.
>
>
>     Aha, I see them all, in order, in gpaw/test/__init__.py
>     I should have grepped before asking.
>
>

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