Chemical Forums
Chemistry Forums for Students => Physical Chemistry Forum => Topic started by: Lapienis on March 30, 2006, 06:42:41 AM
-
Hi Colleagues,
I'm trying to find some specific information regarding DFT calculations with GAMESS-UK on Itanium2 based cluster. What minimum requirements are for RAM per each CPU when calculating DFT.
SFT is calculating well, but DFT not, especially if I have a bit more atoms. Who knows where to find statement : Expert tells, oh, it's impossible to calculate, you might to change your RAM ( for example, somebody has Itanium cluster with 1GB/CPU and wants to calculate DFT for 200 atoms)
Thanks for support in advance.
Saulius Lapienis