Subject: Gaussian 98 on Linux clusters and SGE ...

From: Richard Walsh <[email-masked]>
Date: Thu, 16 Jan 2003 11:32:19 -0600

All,

Has anyone had a successful experience using Sun's
Grid Engine product (available free under a GPL-like
license) as the batch queueing system for Gaussian
98 in a RedHat Linux cluster context. Most folks seem 
to use PBS, but SGE has a number of features that are
generally attractive that PBS does not have. 

I have heard that there may be problems handling
Gaussian's need to run in serial-parallel-serial
mode as the code moves through its links. The queueing
system must retain the requested number of processors
for the life of the batch job for a typical parallel 
G98 run to complete.

Some guidance based on experience here would
be very helpful.

Regards,

rbw
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