[Octopus-users] Octopus on Cray XT

[David Strubbe]

The job script in fact will only work for the development version, because
it uses some improvements to the Perl script that runs the testsuite. You
can replace the file testsuite/oct-run_regression_test.pl in 3.1.1 by the
one in the development version and then it should work.

David

On Mon, Nov 16, 2009 at 10:46 AM, Kopinjol Baishya <kopinjol at gmail.com>wrote:

> Hi everyone,
>
> I was able to compile Octopus (3.1.1) on franklin (
> http://www.tddft.org/programs/octopus/wiki/index.php/Manual:Specific_super
> computers). But it fails all the tests when i run make check. I tried to
> run the checks on parallel and used the script on the webpage mentioned
> above. In any case here's the script,
>
> #!/bin/bash
> #PBS -q debug
>
>
> #PBS -l mppwidth=5
> #PBS -l walltime=0:30:00
> #PBS -V
>
> cd $HOME/octopus
> export MPIEXEC=`which aprun`
>
> export TEMPDIRPATH=$SCRATCH
> make check &> $PBS_O_WORKDIR/makecheck
>
>
>   Here's a typical check result:
>
>  ***** 1D-Hydrogen *****
> Using workdir    : /tmp/octopus.3DXqPW
> Using executable : /u0/k/kopinjol/scratch/
> Octopus/octopus-3.1.1/testsuite/../src/main/octopus_mpi
> Using test file  : ./finite_systems_1d/01-hydrogen.test
>
>
> Using input file : ./finite_systems_1d/01-hydrogen.01-ground_state.inp
>
> Starting test run ...
>
> No mpirun found: Skipping parallel testwhich: no mpirun in
> (/usr/common/mss/bin:/opt/pgi/9.0.3/linux86-64/9.0/bin:/opt/cray/hdf5/
> 1.8.3.1/hdf5-pgi/bin:/opt/cray/netcdf/4.0.1.1/netcdf-pgi/bin:/opt/fftw/3.1.1/cnos/bin:/opt/cray/xt-asyncpe/3.3/bin:/opt/torque/2.4.1b1-200905131530/sb
>
> in:/opt/torque/2.4.1b1-200905131530/bin:/opt/moab/5.2.5-s13570/bin:/opt/modules/
>
> 3.1.6/bin:/usr/local/bin:/usr/bin:/usr/X11R6/bin:/bin:/usr/games:/opt/gnome/bin:
>
> /opt/kde3/bin:/usr/lib/jvm/jre/bin:/usr/lib/mit/bin:/usr/lib/mit/sbin:/opt/paths
>
> cale/bin:.:/usr/lib/qt3/bin:/u0/k/kopinjol/scratch/lib/:/u0/k/kopinjol/scratch/bin/:/usr/bin/:/usr/bin/X11:/usr/common/usg/bin:/usr/syscom/nsg/bin:.)
>
>
> It happens for all the tests and all 34 of the tests are skipped because it
> fails to find mpirun. I can send the file with all the test results, if
> needed.
>
> I will greatly appreciate any help.
>
> Thanks,
> kopinjol
>
> _______________________________________________
> Octopus-users mailing list
> Octopus-users at tddft.org
> http://www.tddft.org/mailman/listinfo/octopus-users
>
>
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