Paolo Giannozzi wrote: > On Apr 30, 2009, at 9:46 , Gabriele Sclauzero wrote: > >> 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 > > they have, but I am not sure you can run hundreds of atoms on the grid: > the single-q, single-mode calculation has to fit into the memory of > each node.
Of course, you are right. Anyway, I think you can use this parallelization level even on a cluster, so that you do not have to do modes and irreps sequentially, but you can split them in concurrently running (multiprocessor) jobs so that you-ll have an actual speed-up. Or are you forced to use a single processor in order to exploit this start_q, last_q,... keywords? GS > > P. > --- > Paolo Giannozzi, Democritos and University of Udine, Italy > > > _______________________________________________ > 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
