[molpro-user] Reduce MolPro Overhead?
Dr Seth OLSEN
s.olsen1 at uq.edu.au
Fri Jul 29 04:48:56 BST 2005
Hi Molpro-users,
It looks to first approximation like (molpro overhead + system memory)
is taking nearly 25% of the memory on the 4GB RAM opteron machines that
we are using. Is there a way to recompile MolPro to reduce the overhead
that it takes? I believe I compiled molpro with the Portland compilers
on these machines. They're running fedora core 3 Linux.
Cheers,
Seth
ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
Dr Seth Olsen, PhD
Postdoctoral Fellow, Biomolecular Modeling Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia
tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au
ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
More information about the Molpro-user
mailing list