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 : [email protected] <[email protected]> de la part de Paolo Giannozzi <[email protected]> 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 <[email protected]<mailto:[email protected]>> 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 [email protected]<mailto:[email protected]> 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
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