Dear Prof Giannozzi How can I change the maximum allowed time so that my simulations do not face this issue?
Thanks Rajesh On Mon, Jul 31, 2017 at 12:57 PM, Paolo Giannozzi <[email protected]> wrote: > You sent two different runs: the starting configuration for the job > running on 70 CPUs was closer to convergence than the one on 24 CPUs. Of > course the former performs more iterations than the latter in the same > maximum allowed time. > > You shouldn't use 'cg' diagonalization unless you have a specific reason > to. > > Paolo > > On Sun, Jul 30, 2017 at 7:05 PM, Paolo Giannozzi <[email protected]> > wrote: > >> On Sun, Jul 30, 2017 at 7:02 PM, Rajesh <[email protected]> >> wrote: >> >> Why this is happening? Is it some memory shortage? >>> >> >> didn't you read (or didn't you understand) this? >> >> >>> if you want to have a meaningful answer you need to provide some useful >>>> information. At the very least, the full output in all the different cases. >>>> >>> >> -- >> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, >> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy >> Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222 >> <+39%200432%20558222> >> >> > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222 > <+39%200432%20558222> > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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