Subject: Parallel G98 on x86/Linux

From: "M. Nicklaus" <[email-masked]>
Date: Thu, 17 Dec 1998 12:25:42 -0500

According to Gaussian, Inc. (http://www.gaussian.com/parallel.htm),
G98 is available for Shared Memory Parallel execution on [Intel]
Linux systems.

Does anyone have G98 set up like this, and could report some 
performance results?

I am particulary thinking of a Dual-P II 450MHz system, with
G98 compiled with the Portland Group compilers, and using the
tuned BLAS libraries as recommended by Gaussian, Inc.
(see http://www.gaussian.com/g98_req.htm).  This should be 
about the fastest *inexpensive* G98 implementation on
x86/Linux at this time.  (One can certainly get higher
perfomance by using Linda with >2 CPU's, and/or Xeon processors,
but either option would increase the cost substantially.)

If someone has this setup and could run some benchmarks for me
(should be < 1 h), I'd appreciate.

Please contact me directly.  I'll summarize for the list.

Thanks in advance for all responses,

Marc

------------------------------------------------------------------------
 Marc C. Nicklaus                        National Institutes of Health
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 Fax:    (301) 496-5839                  BETHESDA, MD 20892-4255    USA 
      http://rex.nci.nih.gov/RESEARCH/basic/medchem/mcnbio.htm
    Laboratory of Medicinal Chemistry, National Cancer Institute
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