our pc has some inter problem ..it get hanged sometime.. i tried by restart_mode = 'restart' but it didnt work.. any other idea ??? can you provide me asses to server so that i can compute in your PC ???
On Tue, Jul 11, 2017 at 7:54 PM, Giovanni Cantele < [email protected]> wrote: > it depends, it is not clear whether your job crashes because you have a > maximum run time or because there are other issues. Did you check the > presence of any error in the output? Can it be a memory issue (that means > that you requires much more memory than physically available on your > computer)? > > Without further details, it is quite difficult to answer your question > > Giovanni > > On 11 Jul 2017, at 15:56, Shishir Timilsena <[email protected]> > wrote: > > our computers are not so fast..so calculations take too much time. on the > other hand the only fast computer we have has 32 gb ram and octa-processor > . some days ago i was doing relaxation calculation and the computer hanged > after 5 hours and my all tasks gone in mud..is there any solution for it ??? > > On Tue, Jul 11, 2017 at 2:30 PM, Giovanni Cantele < > [email protected]> wrote: > >> try to use the same input setting restart_mode=‘restart’. >> >> It might work or not, because a robust restart procedure is implemented, >> but it requires that the code has >> not been stopped while writing to disk some needed files. Just for >> information, a ‘clean’ code exit, that ensures the correct working of >> the restart procedure, can be obtained either by setting the variable >> max_seconds (in the case you have a queuing system >> that allows you to submit jobs with limited duration) or by creating an >> empty file within outdir with name prefix.EXIT where >> prefix is the same as in the input file. Of course both strategies are >> useless if the computer shuts down improperly. >> >> In your case, if the relaxation calculation has gone beyond the first >> step, that means that you find new geometries in output, you can also >> copy the last geometry (ATOMIC_POSITIONS) and restart a calculation from >> scratch. >> >> Giovanni >> >> >> On 11 Jul 2017, at 05:31, Shishir Timilsena <[email protected]> >> wrote: >> >> How can i continue the relax calculation if the computer is hanged or >> showdown unknowingly ??? >> >> Shishir Timilsena, M.Sc >> St.xavier's College >> Kathmandu,Nepal >> e-mail: [email protected] >> phone: +977 9845196469 <+977%20984-5196469> >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> >> >> -- >> >> Giovanni Cantele, PhD >> CNR-SPIN >> c/o Dipartimento di Fisica >> Universita' di Napoli "Federico II" >> Complesso Universitario M. S. Angelo - Ed. 6 >> Via Cintia, I-80126, Napoli, Italy >> e-mail: [email protected] >> Phone: +39 081 676910 <+39%20081%20676910> >> Skype contact: giocan74 >> >> ResearcherID: http://www.researcherid.com/rid/A-1951-2009 >> Web page: http://people.fisica.unina.it/~cantele >> >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > > > -- > > Giovanni Cantele, PhD > CNR-SPIN > c/o Dipartimento di Fisica > Universita' di Napoli "Federico II" > Complesso Universitario M. S. Angelo - Ed. 6 > Via Cintia, I-80126, Napoli, Italy > e-mail: [email protected] > Phone: +39 081 676910 <+39%20081%20676910> > Skype contact: giocan74 > > ResearcherID: http://www.researcherid.com/rid/A-1951-2009 > Web page: http://people.fisica.unina.it/~cantele > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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