[Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF
Laurence Marks
laurence.marks at gmail.com
Sun Jun 23 23:42:38 CEST 2024
Are you running with omp, i.e. what is your .machines file,
$OMP_NUM_THREADS ? Just in case the threads tripping over each other is the
source of the problem.
___
Professor Laurence Marks (Laurie)
Department of Materials Science and Engineering, Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi
On Mon, Jun 24, 2024, 05:08 Yichen Zhang <zycforphysics at gmail.com> wrote:
> Dear Peter,
>
> Thank you very much for the suggestions. I will try them to debug the
> issue and post again if it’s solved.
>
> Best regards
> Yichen
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20240624/611a0193/attachment.htm>
More information about the Wien
mailing list