Re: CCL:PARALLEL: Chemistry codes for the SP-1 or 2
Hi,
We've been using parallel-GAMESS on the SP1 at Cornell National
Supercomputing Center for over a year. It is possible to run GAMESS
using TCGMSG message passing software over the Ethernet connections
or MPL message passing software and run over the high performance
switch.
If the similarities of the SP1 and SP2 are as I have heard,
parallel GAMESS should run on it with minor, if any, modification.
GAMESS, parallel or serial, can be obtained at no charge from
its developers, the Iowa State Quantum Chemistry Group (mike "-at-"
si.fi.ameslab.gov).
We have only used parallel-GAMESS, but I believe there is a
parallel HONDO for the SP1.
Tom Cundari
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Thomas R. Cundari Address until the end of August
Asst. Professor of Chemistry Tom Cundari
Computational Inorganic Chemistry Lab Visiting Scientist
University of Memphis CST-3, C346
Memphis, TN 38152 Los Alamos National Lab
phone: 901-678-2629 Los Alamos, NM 87545
fax: 901-678-3447
e-mail: cundarit "-at-" memstvx1.memst.edu
http://www.memst.edu/chemistry/umchem.html
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