On Gio, Febbraio 26, 2009 21:23, Vo, Trinh wrote: > 512 H2O with 4cores/node,
Dear Trinh Vo, to be honest, I don't think you have much chance to run a system with ~3500 electrons on 78 processors with only 1GB of RAM/processor. You may try using half the processors and 2GB each (leaving half of them idle), but this will probably take a painfully long time. My suggestion is to have a look at two recent threads from the mailing list archives: "PW taskgroups and a large run on a BG/P" and "Trying to find reasonable parallelization parameters" where the problem of computing large systems have been discussed extensively. regards -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by SquirrelMail http://www.squirrelmail.org/
