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, fax +39-0432-558222
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