You need more memory for large number of k-points. The easiest solution: Do 5 different band structure calculations for 5 different sets of k-points. -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida.
"Men don't need hand to do things" On Mon, Mar 8, 2010 at 10:24 AM, Ngoc Linh Nguyen <nnlinh at sissa.it> wrote: > Dimpy Sharma wrote: >> >> Hi everyone, >> I have to run my nscf calculation at 100 nodes for just 5 k points, I >> have tired running at 80 nodes.but in that case it crashes without any >> error message.I cannot increase my k points more than 5.And I want to >> plot the band structure so,I need atleast 25 kpoints. Can anyone give >> me some advice ? >> > Hardly to image the problem that you got. Maybe it's resulted by your > calculating system or maybe the input parameters result an inefficient > memory. > > It's better to enclose the input file to be easier for everyone to consider. > > Best regards, > > Linh > > >> >> Thanks a million ! >> >> Dimpy (PhD) >> >> UCC,Ireland >> >> ------------------------------------------------------------------------ >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> > > > -- > ----------------------------------------------------- > ?Nguyen Ngoc Linh, PhD Student > ?c/o: ? SISSA & CNR-INFM Democritos, > ? ? ? ?via Beirut 2-4, 34014 Trieste (Italy) > ?email: nnlinh at sissa.it > ?phone: +39 04 03787 319 > ?skype: ngoclinh84phys > ----------------------------------------------------- > "The physics is theoretical but the fun is real" > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
