Subject: Gaussian94 Advantages?

From: "Savant Ahmed" <[email-masked]>
Date: Thu, 1 Jun 1995 13:26:48 -0400

Hi,

We are running Gaussian92 on a SGI indigo**2 with 1GB scratch space and 200Meg
swap. Our jobs are big (MP2 freq) and we keep running out of memory. Gaussian
claims to have made memory management/requirements more efficient, especially
for MP2 and higher routines, in G94. We would like to upgrade to G94 if this is
the case. Would be grateful for suggestions/comments.

Savant

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From: [email-masked] (Mike Frisch)
Date: Thu, 1 Jun 1995 15:24:22 -0400 (EDT)

> the case. Would be grateful for suggestions/comments.

The improvements in Gaussian 94 with respect to MP2 frequencies are:

1.  Better performance.

2.  Moderate reduction in disk usage.

3.  Since the rwf can span filesystems, the ability to use several scratch
    disks and go beyond 2 GBytes of scratch data.

So if you're running out of disk in 1 GByte, things will be somewhat better
in G94, but you'll still run out of disk before you run out of CPU cycles.
The best solution is to get another disk.  Fortunetly, 2 GByte and 4 GByte
SCSI disks are pretty cheap these these days, and adding third party SCSI
disks to SGI machines is straightforward.

Mike Frisch
[email-masked]