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 >
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