Subject: SMP Gaussian 98

From: Guy Coates <[email-masked]>
Date: Thu, 9 Aug 2001 13:13:52 +0100 (BST)

Hi,
I am trying to compile an SMP aware version of gaussian98 for use on a 2*
PIII system running Linux 2.2.19.

I have been able to compile a single CPU version g98 using the portland
group F77 compiler. Does anyone know how to compile an SMP version? The
original build instruction that accompanied the g98 source code were lost
long ago and I can't find a copy on the guassian website. My naive attempt
at compiling using the '-mp' compiler flag caused the compilation to abort
during the linking stage due to a host of unresolved symbols.

As a workaround, I have been able to compile a single CPU version with the
multi-threaded version of the ATLAS Blas library. This does take advantage
of a second CPU some of the time.  Is this as close as I can get to a
parallel version?

Thanks,

Guy Coates

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