Optimum memory allocation in GAUSSIAN94
Hello everybdy,
In GAUSSIAN94, I noticed that the job CPU time as recorded in the log file
increases when I allocate too much memory (instead of decreasing).
For example, a geometry optimization of benzene at the restricted
Hartree-Fock level using a 3-21G basis set on a LINUX 5.2 platform
with a PENTIUM III 600MHz processor (768MBs RAM), took the following
times:
200 MB ----> 1 minutes 18.5 seconds
600 MB ----> 2 minutes 11.6 seconds
I noticed the same with other systems as well, larger memory=slower
job. There must be a way to estimate the optimum memory allocation for a
specific job.
I would much appreciate your help. Thank you very much.
(I will summarize)
Cherif
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Cherif F. Matta tel. (905) 525-9140 ext. 22502
Chemistry Department fax (905) 522-2509
McMaster University _______________________
Hamilton, Ontario, CANADA L8S 4M1. | * "You'll always miss
....................................................| 100% of the shots you
Member of the Board of Governors of the University | don't take".Anonymous
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