[Wien] k-points parallelization
L. D. Marks
L-marks at northwestern.edu
Fri Apr 14 18:03:08 CEST 2006
Run by hand the one that fails, e.g. "lapw2 lapw2_X.def" with the right X.
This may help find the problem (and may not!).
On Fri, 14 Apr 2006, stargmoon wrote:
> Dear WIEN2k community,
>
> We have a distributed memory machine reconfigured recently, the queuing system is SGE. I did a test run with hexagonal TiS2 (3 atoms/ unit cell), if I use small k-mesh, everything is okay. If I change to big k-mesh, the program stops at lapw2 without any error message. Actually, from the queue, the job looks running, but it in fact stops at lapw2 because no more output from the first processor (all other processors finish without any problem) forever.
>
> This question has been bothering me a week. Please help me! Your reply will be highly appreciated!
>
> Best regards,
>
> Stargmoon
>
>
>
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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu
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