From owner-chemistry[ AT ]ccl.net Tue Dec  2 16:38:00 2008
From: "Steve Williams willsd[*]appstate.edu" <owner-chemistry^^^server.ccl.net>
To: CCL
Subject: CCL:G: Gaussian 03 on CentOS 5.2
Message-Id: <-38226-081202144619-28204-npaEEgkIzIjXbLvJfIMzTQ^^^server.ccl.net>
X-Original-From: Steve Williams <willsd**appstate.edu>
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Date: Tue, 02 Dec 2008 14:36:55 -0500
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Sent to CCL by: Steve Williams [willsd-$-appstate.edu]
I have installed a licensed intel linux 64 (intel em64t) version of 
gaussian 03 (with Linda) on a PQS computer (running centos 5) that has 2 
quadcore xeons per node and 2 nodes.  It runs great on 8 processors with 
%nprocshared=8 and quite well on all 16 processors using Linda for 
internode communications with %nprocshared=8 and %nprocLinda=2.  I am by 
no means a linux expert, but I did not have any significant problems 
with the install. 
Steve Williams

Tom Walsh tom===compbio.dundee.ac.uk wrote:
> Sent to CCL by: "Tom  Walsh" [tom^compbio.dundee.ac.uk]
> Hi,
>
>    Does anyone have experience of running Gaussian 03 on CentOS 5.2 (on 64-bit Intel Xeon CPUs)? Gaussian doesn't officially support this OS; the closest supported OS is RHEL 5 (first update) and I'm wondering if the RHEL5 binary will run OK on CentOS 5.2. The alternative is to build it from source but I don't know if there would be issues with that also. Unfortunately using a supported OS is not an option.
>
> Thanks,
>
> Tom Walsh>
>
>