Subject: G92: Help with MP2 FREQ calc.

From: [email-masked] (Kong Sian)
Date: Tue, 16 Aug 1994 17:10:32 +0800 (SST)

I'd like to thank everyone for their advice and suggestions.  Sorry
if I don't mention each and everyone as there was quite a handful of
replies.

To summarise, my problem was an MP2 FREQ calculation with 156 basis
functions and 2GB of disk space available.  G92 insisted on creating
a 3.2GB .rwf file.

Suggestions are essentially in the following categories.
1.  It cannot be done; I need more disk space.
2.  Use SCF=DIRECT to not store the integrals.  This saved about 400M,
    but didn't really solve the problem.
3.  Use FREQ=NUMER SCF=DIRECT.  I tried this and a scratch file of 
    slightly less than MAXDISK was created.  This appears to work and
    I'm at present running the job with this option.
4.  Send me the job and I'll run it for you.  Thanks!  I'll take up
    the offer if option 3 fails me.

I think this list is simply great.  Thanks folks!

Kong Sian
National Supercomputing Research Centre
Singapore