Thank you Paolo for your quick answer. Pascal
> ---------------------------------------- > From: Paolo Giannozzi <paolo.giannozzi at uniud.it> > Sent: Mon May 26 13:28:21 CEST 2014 > To: PWSCF Forum <pw_forum at pwscf.org> > Subject: Re: [Pw_forum] question on parallelism on bands > > > On Mon, 2014-05-26 at 12:00 +0200, pascal boulet wrote: > > > I have to run calculations on a rather big system: 35.9x35.9x71.8 bohr, > > 384 atoms, 1280 bands and few k-points (at most 6). I would like to > > parallelize the calculations on the bands > > unless you are using hybrid functionals, there isn't a real advantage > in "band" parallelization for pw.x. > > > but I am not familiar with this. I have up to 50x12=600 procs at disposal. > > I envisage to use 144 procs and the following options for pw.x: > > -bands 12 -ntg 12 -ndiag 64 > > > Would you say these are more or less adequate parameters ? > > I would say no: too few processors for plane wave parallelization. > > Paolo > > > Thank you for your help, > > Pascal > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > > -- > Paolo Giannozzi, Dept. 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://pwscf.org/mailman/listinfo/pw_forum >----------------- Pascal Boulet Aix-Marseille University MADIREL Laboratory Avenue Normandie-Niemen 13397 Marseille Cedex 20 Email: pascal.boulet at univ-amu.fr Tel. +33 413 55 18 10 Fax +33 413 55 18 50
