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] <mailto:[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] >> <mailto:[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] <mailto:[email protected]> >> phone: +977 9845196469 <tel:+977%20984-5196469> >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] <mailto:[email protected]> >> http://pwscf.org/mailman/listinfo/pw_forum >> <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] <mailto:[email protected]> > Phone: +39 081 676910 <tel:+39%20081%20676910> > Skype contact: giocan74 > > ResearcherID: http://www.researcherid.com/rid/A-1951-2009 > <http://www.researcherid.com/rid/A-1951-2009> > Web page: http://people.fisica.unina.it/~cantele > <http://people.fisica.unina.it/~cantele> > > > _______________________________________________ > Pw_forum mailing list > [email protected] <mailto:[email protected]> > http://pwscf.org/mailman/listinfo/pw_forum > <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 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.fisica.unina.it/~cantele
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