[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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