[Wien] parallel lapwso and lapw2 crash
Peter Blaha
pblaha at theochem.tuwien.ac.at
Thu Nov 27 08:24:42 CET 2008
No, unfortunately we do not have an mpi-parallel version of lapwso.
The only supported parallelization for lapwso is via k-points.
I'm afraid, at the moment I do not have the manpower to start a
mpi-parallelization of lapwso.
Scott Beardsley schrieb:
> Is there a way to parallelize lapwso? When I run "runsp_lapw" with the
> -so option I see the following in my dayfile:
>
> > lapwso -up -c -orb -p (10:29:13) running LAPWSO in parallel mode
> compute-0-7 651.942u 5.570s 10:59.38 99.7% 0+0k 0+0io 1pf+0w
> Summary of lapwsopara:
> compute-0-7 user=651.942 wallclock=659.38
>
> But it only runs one process (and lapwso isn't linked to the mpi
> libraries).
>
> Also, right after this step lapw2 crashes:
>
> > lapw2 -c -up -so -p (10:40:15) running LAPW2 in parallel mode
> ** LAPW2 crashed!
> 1.490u 0.288s 1:48.05 1.6% 0+0k 0+0io 1pf+0w
> error: command /share/apps/wien-2k_08/lapw2cpara -up -c -so
> uplapw2.def failed
>
> > stop error
>
> Any ideas?
>
> Scott
>
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