[Pw_forum] Phonon Restarting From Killed Job

[MICHALCHUK Adam]

Dear Paolo,


Thanks for this - at least it is my understanding that with subsequent use of the DMs in the D3Q code, this approach is not compatible. Perhaps I am mistaken, however?


Many thanks,

Adam

________________________________
De : pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> de la part de Paolo Giannozzi <p.giannozzi at gmail.com>
Envoyé : samedi 19 novembre 2016 08:32:41
À : PWSCF Forum
Objet : Re: [Pw_forum] Phonon Restarting From Killed Job

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<mailto: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

The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.

_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org<mailto:Pw_forum at pwscf.org>
http://pwscf.org/mailman/listinfo/pw_forum



--
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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20161119/19c2630b/attachment.html>