From chemistry-request@ccl.net Fri Jul  1 06:13:49 2005
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From: chburger %x% aci.unizh.ch
Message-Id: <200507011013.j61ADWs42323748 %x% zisgi.unizh.ch>
Subject: Re: CCL:dual-core Opteron 275 performance
To: chemistry %x% ccl.net
Date: Fri, 1 Jul 2005 12:13:32 +0200 (CEST)
In-Reply-To: <Pine.LNX.4.44.0506302246510.26093-100000 %x% cardinal3.Stanford.EDU> from "S.I.Gorelsky" at Jun 30, 5 11:00:42 pm
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Hi,

are these the values for the Gaussian provided binary version
or pgroup compiled?

In my own tests I saw a 2x+ performance advantage of the Xeon over the 
Opteron using a binary compiled with the Intel Fortran compiler on the 
Xeon and the Gaussian provided binary on the Opteron. Unfortunately
I could not achieve a more fair comparison so far, since the Opteron 
binary would not run on an EM64T Xeon and I have been unable so far
to compile G03 for the Opteron with the Intel compiler (I do not have
a current version of the pgroup compiler).

Regards,

Peter

P.S. Did you receive my fax & money for your AOMIX program 
(burger %x% chemie.uni-hamburg.de)? This is still my old account from
Zuerich.
> 
> To add to the discussion about the performance of new dual-core
> processors for computational chemistry applications,
> 
> the comparison of Intel and AMD dual-CPU based computers is shown at:
> 
> http://www.sg-chem.net/cluster/
> 
> As can be seen from the graph, the Gaussian 03 execution speed (test job
> 397) on dual-core dual-CPU Opteron 275 workstation is faster by a factor of 1.95
> as compared to the dual-CPU Xeon 3.2GHz 800MHz FSB machine.
> 
> -----------------
> 
> I would like to thank Ed Gasiorowski (AMD) and Mike Fay (Colfax
> International) for their support.
> 
> Serge Gorelsky
> 
> ----------------------------------------------------------------
>  Dr S.I. Gorelsky, Department of Chemistry, Stanford University
>  Box 155, 333 Campus Drive, Stanford, CA 94305-5080 USA
>  Phone: (650) 723-0041. Fax: (650) 723-0852.
> ----------------------------------------------------------------
> 
> 
> 
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