[Beowulf] Parallel software for chemists
landman at scalableinformatics.com
Thu Dec 11 08:40:21 EST 2008
Dr Cool Santa wrote:
> Currently in the lab we use Schrodinger and we are looking into NWchem.
> We'd be interested in knowing about software that a chemist could use
> that makes use of a parallel supercomputer. And better if it is linux.
Depends upon the calculations you wish to do.
GAMESS for electronic structure is a very nice parallel code, though
setting up the parallel system can be a little challenging for the
There are quite a few others (Amber, Charmm, ...) What types of
calculation do you want to do?
Joseph Landman, Ph.D
Founder and CEO
Scalable Informatics LLC,
email: landman at scalableinformatics.com
web : http://www.scalableinformatics.com
phone: +1 734 786 8423 x121
fax : +1 866 888 3112
cell : +1 734 612 4615
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