I forgot to mention that I am dealing with
radicals (open-shell cases).
[mailto:owner-chemistry+tapas.kar==usu.edu(_)ccl.net] On Behalf Of Jamin Krinsky jamink^^berkeley.edu
Sent: Tuesday, July 27, 2010 5:18
To: Tapas Kar
Subject: CCL:G: Computational cost
To give you an idea, on our system a 24-atom molecule with 250 basis functions
(about 530 primitives), run on 6 AMD Istanbul cores with 23GB RAM (all this is
shared, not network), took about 50 cpu hours (total) and generated a 60GB rwf
file. Now consider that CCSD(T) has an ON^3 disk requirement...
Maybe this helps somewhat.
Jamin L Krinsky, Ph.D.
Molecular Graphics and Computation Facility
175 Tan Hall, University of