On Wed, Mar 9, 2016 at 6:45 PM, Malicious Scientist < scientist.malici...@gmail.com> wrote:
I want to migrate the execution between different machines > it is not going to work unless the different machines have the same binary representation of numbers, or unless you convert wavefunction and charge-density files to formatted and back to unformatted > but at first I'm trying to stop the computation and restart it at the same > machine, just with a different number of processes. > you cannot (for PW; for CP you can). Restarting from an incomplete job works only on the same machine and with the same number of processors. You can run a new job with a different number of processors only if you start from final data. Paolo On Tue, Mar 8, 2016 at 5:12 PM, Joshua Davis <davis...@chemistry.msu.edu> wrote: > Dear Joaquim, > > you may want to look up the "wfcollect" option under &CONTROL > > > http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#__top__ > > Joshua Davis > Michigan State University > > On Tue, Mar 8, 2016 at 2:11 PM Malicious Scientist < > scientist.malici...@gmail.com> wrote: > >> Dear Nicola, >> >> Sorry, my mistake. >> >> --------------------------------------------------- >> Name: Joaquim José Xavier >> Institution: Faculdade de Educação, Ciências, e Letras do Sertão Central >> - Quixadá - Ceará - Brasil >> http://www.uece.br/feclesc/ >> --------------------------------------------------- >> >> On Tue, Mar 8, 2016 at 3:42 PM, Nicola Marzari <nicola.marz...@epfl.ch> >> wrote: >> >>> >>> Dear Malicious, >>> >>> PLEASE see the posting guidelines: >>> http://www.quantum-espresso.org/forum/#1.0 >>> >>> *Sign your post with your name and affiliation.* >>> >>> nicola >>> >>> >>> >>> On 08/03/2016 19:37, Malicious Scientist wrote: >>> > Hello Community, >>> > >>> > I would like to know if it is possible top stop a pw.x run, copy to >>> > files to a different machine, and then restart the computation. >>> > >>> > For example, to stop the execution, I would create a $prefix.EXIT file >>> > on the working directory (just like described at >>> > >>> http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node19.html >>> ). >>> > >>> > After that, I would copy the entire working directory, including the >>> > scratch dir, to a remote server with the same version of QE installed. >>> > Then I would restart the computation setting the 'restart_mode' flag to >>> > 'restart' at the CONTROL namelist. >>> > >>> > Is this supposed to work? If so, may I restart the computation with a >>> > different number of CPUs? >>> > >>> > Thank you for your attention. >>> > >>> > >>> > _______________________________________________ >>> > Pw_forum mailing list >>> > Pw_forum@pwscf.org >>> > http://pwscf.org/mailman/listinfo/pw_forum >>> > >>> >>> -- >>> ---------------------------------------------------------------------- >>> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL >>> Director, National Centre for Competence in Research NCCR MARVEL, EPFL >>> http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project >>> _______________________________________________ >>> Pw_forum mailing list >>> Pw_forum@pwscf.org >>> http://pwscf.org/mailman/listinfo/pw_forum >>> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org 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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