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From: Dr Seth Carlton OLSEN <s.olsen1~at~uq.edu.au>
To: chemistry~at~ccl.net
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Date: Thu, 14 Oct 2004 17:03:34 +1000
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Subject: compiling G03 on opteron-64bit for use on Xeon-32bit
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Hi all,

I've been having trouble with a Gaussian03 excecutable which was compiled using the Portland Compiler package on an 64 bit opteron system for use on a 32 bit Xeon system (both running linux).  The excecutable was compiled with the 32bit flags.  The excecutable works fine on the opteron, and it starts on the Xeon, but it stops quickly because it fails to expand the size of the read-write (*.rwf) file.  

Does anyone have any experience cross-compiling gaussian in this fashion?  Is there any insight out there on what I may have missed?  

An alternative would be to use the intel compiler package to build the excecutable on the Xeon, but Gaussian doesn't support this option.  Does anyone have experience compiling Gaussian03 with the intel compiler package on a Xeon 32bit machine?

Cheers,

Seth 


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Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biology Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1~at~uq.edu.au
Web: www.ccms.uq.edu.au 

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