Gaussian 98 memory allocation problems

From: Sean A. Peebles (sapeebles@eiu.edu)
Date: Tue Jul 08 2003 - 13:00:33 EDT


I have a question which may be a little application specific but I'm hoping
that the problem is more in my (lack of) understanding of the Tru64 memory
allocation processes rather than with the actual program.

I'm trying to run the ab initio program Gaussian 98 on our Compaq Alpha
Tru64 workstation (V5.0 910 OSF1). This machine has 1GB physical memory
and two 500MHz cpu's (although I'm not trying to run this program in
parallel at present). The problem is that when I try to tell the machine
to use any more than about 100MB of the memory (via the %mem statement in
the input file (for any of you familiar with Gaussian)) the program fails
and I get the message:

> Leave Link 1 at Mon Jun 23 11:53:18 2003, MaxMem= 19660800
> cpu: 0.1
> malloc failed.: Not enough space
> malloc failed.
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Symbol table not present, doing non-symbolic traceback
> 0: [0x3ff81a1fec8]
> 1: [0x3ff81a294a4]
> 2: [0x3ff800cfbf0]
> 3: [0x3ff800e0f14]
> 4: [0x3ffbf9420d4]
> 5: [0x3ffbf9434ec]
> 6: [0x3ffbf94306c]
> 7: [0x3ffbfcca94c]
> 8: [0x12000544c]
> 9: [0x120005374]
> 10: [0x1200052e8]

(The above output comes from a job where I specified %mem=150MB). I have
contacted Gaussian and they suggested some useful things to check out (swap
space is set at 2GB on this machine - twice the physical memory so I'm
assuming that's OK, and the memory limits (checked via ulimit) on my
account are not the problem (they're set to the maximum amount of physical
memory available). The folks at Gaussian have ignored my latest email so
I assume they're out of ideas :-) I'd be grateful for anyone who might be
able to point me in the right direction and especially anyone who might
have experience with running this program on such a machine. I'd really
like to use more than 10% of my memory (I have tried to run larger jobs
that will not run in the small amount of memory that I am able to use).
Many thanks in advance,
Sean.

*************************************************************
Dr. Sean A. Peebles,
Department of Chemistry, Email: sapeebles@eiu.edu
3420 Physical Sciences, Phone: (217) 581-2679
Eastern Illinois University, Fax: (217) 581-6613
Charleston, IL 61920.
*************************************************************



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