Dear Paolo, Thank you for your quick answer.
All the best, Pascal Le 06/02/2013 10:17, Paolo Giannozzi a ?crit : > On Feb 5, 2013, at 22:12 , pascal boulet wrote: > >> I guess the best thing to do is to parallelize the calculation on >> the bands > "band" parallelization is currently implemented only for some > specific cases. > Same for "image" parallelization. > > There is no quick and easy answer to your question. Your calculation is > relatively small, so you should likely exploit k-point (-npool 4) and > FFT > parallelization, using a few processors. How many it depends upon the > size of your FFT grids. Here some explanations: > http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/tutorial_para.pdf > See also the general user guide, chapter 3: > http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/ > and the user guide for PWscf, sec. 4.4 and 4.5: > http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/ > > 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://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- A non-text attachment was scrubbed... Name: pascal_boulet.vcf Type: text/x-vcard Size: 413 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20130206/dba1bdf2/attachment.vcf
