[Wien] lapw2 mpi parallelization limits

[Laurence Marks]

Do a "rm *.rec" before running lapw2 and also a ls -l *.error if it
fails. It should show a nonzero lawp2_1.ERROR which might (2% chance)
contain some useful information, probably not). All other *.error
files should be zero length (which means that part of the code
worked).

How many different k-points and how many different atoms are you using?

No ideas at the moment beyond turn on all plausible debug flags (not
fun); someone like Peter Blaha may have some suggestions tomorrow.

On Tue, Mar 17, 2009 at 4:24 PM, Scott Beardsley <scott at cse.ucdavis.edu> wrote:
>> 1) I mentioned something like mvapich since it's worked well for me
>> while mpich has not and in fact the version I got form my vendor
>> (ofed) was broken; I've never used openmpi.
>
> I usually go with what my vendor recommends unless I have a good reason.
> Sounds like you had one.
>
>> 2) I'm not sure you'll find anyone on this mailing list who knows as
>> much about nfs as you do
>
> I've ruled out NFS completely by copying my working directory to a local
> disk and running "x lapw2 -up -p" from there. The problem persists. :(
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering to study the structure of matter.