I know that pp.x works well without k-parallelization, but for this I need to recalculate nscf with wf_collect which takes pretty much time and more memory sources.
Best, Natalia Dr. Natalia Pavlenko Institute for Condensed Matter Physics, Lviv, Ukraine Tel.: +38-0322-707401 Fax: +38-0322-761158 --- On Sat, 10/8/11, Paolo Giannozzi <giannozz at democritos.it> wrote: > From: Paolo Giannozzi <giannozz at democritos.it> > Subject: Re: [Pw_forum] problems with pp.x for parallel processing > To: "PWSCF Forum" <pw_forum at pwscf.org> > Date: Saturday, October 8, 2011, 1:07 PM > There is definitely some problem with > k-point parallelization > (-npool option) in pp.x. However, it worked for me if the > "wf_collect" option is used and pp.x is launched without > k-point parallelization > > P. > --- > Paolo Giannozzi, Dept of > Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
