Gabriele, I just downloaded the CVS version two days ago, but found no INPUT_PH in Doc. Should you please post one, or let me know how to generate it?
Huiqun Zhou @Earth Sciences, Nanjing University, China ----- Original Message ----- From: "Gabriele Sclauzero" <[email protected]> To: "PWSCF Forum" <pw_forum at pwscf.org> Sent: Thursday, April 30, 2009 3:46 PM Subject: Re: [Pw_forum] phonon calculation for large system > > > zq wu wrote: >> Dear pwscf users, >> >> I need to do phonon calculation for large system (several hundreds atoms >> per cell). Since i can use lots of processors, I plan to submit many >> jobs, each of which will calculate 1 phonon mode. But i do not know >> whether it is available to get final dynamic matrix from these separate >> runs and how to do it. Can any one help me? >> >> Currently, phonon modes are calculated one by one in sequence in phonon >> calculation. Can we do some parallelization here? Can we divide the >> processors into several groups and let each group take care of one or >> more modes in a way similar to K-points parallelization? I think that >> the parallel efficeincy for modes parallelization should also be close >> to K-points parallelization since the phonon modes calculation is >> independent of each other. The modes parallelization should be very >> useful for system with large numbers of atoms. Does anyone have the >> idea how hard it is to do the modes parallelization? > > If I correctly understood, i think that this kind of parallelization has > already been > exploited in the latest versions of CVS, in order to use ph.x on the GRID. > I don't know if > all the related problems have been fixed at this stage (have they, > Paolo?), but you can > try to download the CVS and use the keywords start_q, last_q, start_irr, > last_irr (see > INPUT_PH) to split your job in many independent jobs. Sorry, I don't know > the details, but > at least now you're aware that there is this possibility available (though > not extensively > tested, I think, so use _with_ _care_ and help debugging, please). > > HTH > > GS > > >> >> Thanks >> >> Zhongqing >> >> CACS University of Southern California >> >> >> >> ------------------------------------------------------------------------ >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum > > -- > > > o ------------------------------------------------ o > | Gabriele Sclauzero, PhD Student | > | c/o: SISSA & CNR-INFM Democritos, | > | via Beirut 2-4, 34014 Trieste (Italy) | > | email: sclauzer at sissa.it | > | phone: +39 040 3787 511 | > | skype: gurlonotturno | > o ------------------------------------------------ o > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
