Huiqun Zhou wrote: > 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?
try: cvs update -d doc-def you should find then a directory doc-def inside your cvs tree, and inside there will be template files for automatic generation of the documentation. From inside doc-def, type make but this probably won't work unless you have all needed tcl libraries installed. Anyway you can read directly the INPUT_PH.def file, searching for start_q, start_irr, etc. etc. GS > > Huiqun Zhou > @Earth Sciences, Nanjing University, China > > > ----- Original Message ----- > From: "Gabriele Sclauzero" <sclauzer at sissa.it> > 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 >> > > _______________________________________________ > 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
