The "instructions" are very basic: 1. a calculation with restart_mode='scratch', max_seconds=N, followed by 2. the same calculation with restart_mode='restart' If the first calculation stops cleanly (after N seconds) with no errors, the second restarts from the same point.
Paolo On Tue, Sep 21, 2021 at 1:46 PM Виктор Окулич via users < users@lists.quantum-espresso.org> wrote: > Good afternoon, ladies and gentlemen! > > Unfortunately, I cannot implement the continuation of the calculation in > QE in the 'scf' mode after the end of the maximum specified time in the > 'max_seconds' parameter. I am unable to apply the instructions for using > the restart_mode = 'restart' parameter, which is provided on the > corresponding page of the site > https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm60. > I would like to see an example of the specific use of this parameter to > ensure the continuation of the calculation. > > > Thank you in advance for your help. > All the best. > Victor Okulich > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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