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] <mailto:[email protected]> > phone: +977 9845196469 > > _______________________________________________ > 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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