Subject: Re: CCL:GAMESS on a PARAGON

From: [email-masked]
Date: Wed, 04 May 1994 07:18:21 -0600 (CST)

Hi,

	There is a copy of GAMESS (Iowa State) running on the 
Paragon at San Diego Supercomputer Center.    Maybe someone at
SDSC can give you the benefit of their experience.  
	Do any of the simple (RHF single point, RHF optimization, etc.) 
test input decks run or does the calculation not even make it this far?
I have not used the SDSC Paragon in a couple of months, but the last time we 
did I noticed problems with the effective core potential code (all-electron 
runs seemed fine).  Our ECP calcs. would actually launch and do the set-up 
and then bomb in the ECP portion of the code.  
	I think our problem was due to compiler optimization levels in the 
various ECP source modules which seem sensitive to this parameter.   I do know 
that we once ran the calcs. successfully some months  ago and that it seemed 
to me that problems with the ECP code popped up when the operating system was 
upgraded.  So perhaps the problem is OSF.   I didn't compile the code so I 
can't say, but perhaps these experiences might be something to consider in 
your case. 
	Good luck and let me know if you have any success.	
Tom

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Thomas R. Cundari                         
Asst. Professor of Chemistry              
Computational Inorganic Chemistry Lab     
University of Memphis                     Check out Univ. of Memphis
Memphis, TN 38152                         Chem Dept. on the World Wide Web
phone: 901-678-2629                       Organized by Prof. Henry Kurtz
fax:   901-678-3447                       Suggestions? [email-masked]
e-mail: [email-masked]
http://www.memst.edu/chemistry/umchem.html
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