[Wien] lapw2 mpi parallelization limits

[Laurence Marks]

Should have been lapw2_1.error

On Tue, Mar 17, 2009 at 4:41 PM, Laurence Marks
<L-marks at northwestern.edu> wrote:
> 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.
>



-- 
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.