Dear Paolo, dear Lfhuang, yes, in all my parallel calculations (pw.x, dos.x and projwfc.x) I used exactly the same number of CPUs (8 PCUs), but nevertheless, although I have successfully generated the total DOS with dos.x without any problems, I still in great troubles with the generation of the partial DOS using projwfc.x. I would be very grateful for your help.
With best regards, Natalia Pavlenko ----------------------------------- Dr. Natalia Pavlenko Institute for Condensed Matter Physics, Lviv, Ukraine Tel.: +38-0322-707401 Fax: +38-0322-761158 --- On Mon, 1/10/11, Paolo Giannozzi <giannozz at democritos.it> wrote: > From: Paolo Giannozzi <giannozz at democritos.it> > Subject: Re: [Pw_forum] Problems with generation of projected DOS by projwfc.x > To: "PWSCF Forum" <pw_forum at pwscf.org> > Date: Monday, January 10, 2011, 4:43 AM > > On Jan 10, 2011, at 13:31 , lfhuang wrote: > > > When you executed projwfc.x, did you use the same > paralleling cpus? > > Because projwfc.x should be executed using the same > cpus as pw.x. > > exactly (unless the pw.x option "wf_collect" is specified > to collect > wavefunctions into a single file per k-point, independent > on the > number of processors) > > 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 >