Subject: CCL:G: [Beowulf] G03 in Linux cluster

From: "Eugen Leitl eugen|-|leitl.org" <owner-chemistry[]server.ccl.net>
Date: Sat, 18 Mar 2006 09:33:34 +0100

Sent to CCL by: Eugen Leitl [eugen * leitl.org]

----- Forwarded message from Jess Cannata <jac67||georgetown.edu> -----

>From: Jess Cannata <jac67||georgetown.edu>
Date: Fri, 17 Mar 2006 14:08:32 -0500
Cc: Beowulf||beowulf.org
Subject: Re: [Beowulf] [owner-chemistry||ccl.net: CCL:G: parallel G03 in Linux
	cluster]
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Eugen Leitl wrote:

>Hello Everybody,
>
>I am planning to buy sixteen AMD64 Athlon dual core machines (with 
>Linux) for running G03 in parallel. They will be connected by ethernet. 
>I never have any experience in running gaussian with Linux cluster.  So 
>my questions are the following:
>
>1.  Can G03 be run parallel in the above configuration?
>2. Do you need to have Linda for running parallel in the above 
>configuration?
> 
>
You need Linda to run G03 in parallel.

>3. Do you recommend any other processor?
> 
>
We run G03 on both Xeon and Opteron Beowulf Clusters and are very 
pleased with the Opterons.

>4. Which brand of Linux is good for running G03 parallel?
> 
>
This depends on whether you have the binary or source code version. If 
you use the binaries, you should follow Gaussian's recommendations. We 
run G03 (64-bit) on SuSE 9.0 and RedHat AS 4 without any problems.

>5. Pals sharer your experience with  running G03 parallel in Linux 
>cluster (like tricks, problems, failure etc).
> 
>
Good luck! G03 can be finicky.

Jess

>Thanks in advance
>Debasis
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Eugen* Leitl <a href="http://leitl.org">leitl</a> http://leitl.org
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