From chemistry-request@ccl.net Thu Feb 21 11:38:41 1991
Date: Thu, 21 Feb 91 10:21:59 EST
From: rs0thp@rohmhaas.com (Dr. Tom Pierce)
To: CHEMISTRY@ccl.net
Subject: Re:GAUSSIAN EXPERIENCE
Status: R

>Re: Request for more specifics from 
> Bob Stolow
> Department of Chemistry
> Tufts University
> Medford, MA  02155       INTERNET: rstolow@pearl.tufts.edu
>
>
>I am responding to your e-mail message to Dr. Reinhard Doelz of
>15-Feb, a copy of which I received via CHEMISTRY@ccl.net
>
>I would appreciate additional information about your experience
>running Gaussian-88 on the IBM 6000 Model 540.  Others may find
>such information to be helpful as well.

>(1) How much physical memory do you have?
    On the present 540, we have 64MB. We hope to add 64MB
    this year.

>(2) How much of it is assigned to each of the two Gaussian jobs?
     We use 1/3 to 1/2 of the physical memory for Gaussian space
     per job. (setenv G88_SPACE 24000000)
     We inquired about setup of the IBM system from Dr. Andy Scheiner
     ( SCHEINER%DFWVM03@IINUS1.IBM.COM) and Dr. Dennis Gerson 
      <gersonr%dfwvm03@.iinus1.ibm.com> in Dallas.

>(3) How large are the jobs?  Number of orbitals? Basis sets used?
     The jobs 'fit' into /tmp (1.1 GB currently)
     Dr. Chuck Reynolds has run all the 
     calculations, using 23-90 Basis functions ranging from  6-31G(D),
     LANL1DZ, and mp2 and mp4 calculations.
>(4) Any problems with the hardware or the operating system?
    The usual problems of AIX(the IBM version of UNIX),
      but no problems with G-88.

>(5) Can you make comparisons with other platforms?
    No. We signed a license agreement with Gaussian Inc, stating 
     that we would publish no benchmark numbers. 
     I defer benchmark data to Gaussian Inc.


Also we have 3 857MB disk drives on the 540. And yes we'd like to
have more disk for G-88 jobs.


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Sincerely,  Thomas Pierce
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