[Wien] Wien2k mpi execution

[Laurence Marks]

You have not told your mpi command what machines file to use, it
should be something similar to

setenv WIEN_MPIRUN "mpirun --np _NP_ -machinefile _HOSTS_ _EXEC_"

WARNING: exactly what depends upon your system.

2012/2/23 Celine Hin <celhin at vt.edu>:
> Dear Wien2k users,
>
> WIEN2k has been compiled with fine grain parallelism support to use MPI. A
> test job was submitted to use 8 nodes using the queuing system. The job was
> running only one node and the other 7 nodes were idle. I am wondering if
> there is any error in the .machine file generated by the template
> qsub-job0_lapw script which has been attached along with this email. The
> installation has generated the following MPI applications
>
> lapw0_mpi  lapw1c_mpi  lapw1_mpi  lapw2c_mpi  lapw2_mpi
>
> The contents of parallel_options file is as follows:
>
> setenv USE_REMOTE 1
>
> setenv MPI_REMOTE 1
>
> setenv WIEN_GRANULARITY 1
>
> setenv WIEN_MPIRUN "mpirun -np _NP_ _EXEC_"
>
> Best,
> Celine Hin.
>
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi