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, fax +39-0432-558222
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