Il giorno 09/set/2010, alle ore 13.34, Dimpy Sharma ha scritto: > > Hi there, > > I was trying to calculate transmisson using pwcond,The system contains 282 > atoms, > It's a lot of atoms for the memory requirements of PWcond. Have you tried with a smaller system?
> my scf calculation for both the lead and scattering run successfully but > while running the Pwcond,the calculation stops without giving CRASH file.The > output file crashes with the following > > 6_656: (392.304688) net_send: could not write to fd=5, errno = 32 > Segmentation fault > > segmentation fault. > Most probably you have run out of memory. Try with a smaller system or reduce the PW cutoffs or provide more memory per process (e.g. by running with less processes than the total number of CPUs available per node). HTH GS > > Any advice welcome. > Thanks and regards > Dimpy > Dimpy Sharma > ETG-Group > Tyndall National Institute > Cork > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100909/eea32f57/attachment.htm
