[Pw_forum] Phonon Restarting From Killed Job
Paolo Giannozzi
p.giannozzi at gmail.com
Sat Nov 19 09:32:41 CET 2016
Variables start_q and last_q mght be what you need
Paolo
On Fri, Nov 18, 2016 at 11:25 AM, MICHALCHUK Adam <adam.michalchuk at ed.ac.uk>
wrote:
> Hello,
>
>
> I've tried to hunt through the forums for an answer, and tried the few
> suggestions that were there (removing restart* files, etC), but nothing is
> working - if there is a forum entry I missed please let me know!
>
>
> I am running phonon calculations across an n*n*n grid. After the first few
> q-points have been successfully calculated, the job was killed (not using
> the max_seconds command). On restarting, I get the iotk_scan_tag error,
> which has been chalked up previously to a gfortran error. However, if the
> calculation does make it to the max_seconds, there is no problem in
> restarting. Is there any other way to make the code recognise at least the
> q-points that have already been calculated? At present I must restart the
> entire calculation.
>
>
> Very many thanks for any assistance,
>
>
> Best wishes,
>
> Adam
>
>
> --
>
> University of Edinbrugh
>
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> Scotland, with registration number SC005336.
>
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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