Dear Prof Giannozzi Oh. I think my gui software set it unknown to me. Thanks Rajesh
On Mon, Jul 31, 2017 at 1:12 PM, Paolo Giannozzi <[email protected]> wrote: > You set it, and don't know how to unset it? See variable "max_seconds". > > On Mon, Jul 31, 2017 at 9:31 AM, Rajesh <[email protected]> > wrote: > >> 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 >>> >> >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> 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 <+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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