From:	"Eric V. Patterson" <patter at.at pollux.chem.umn.edu>
Date:	Tue, 10 Feb 1998 13:12:42 -0600 (CST)
Subject:	Re: CCL:G:Gaussian scratch space limitation

Darren,

As pointed out by Gerald Lushington, there is a fairly nice workaround
implemented in G94.  However, you indiated that you're using G92.  If you
do not have access to G94, your choices are much more limited.  What sort
of calculation are you performing?  If this is an MP2, as I suspect it
might be, then you should try the MP2=verystingy and MAXDISK keywords.
Depending on the number of basis functions you have, you might be flat out
of luck.


 - Eric

#########################################################################

From the desk of:

Dr. Eric V. Patterson
Postdoctoral Associate
Lecturer:  Chemistry 8003


Department of Chemistry		voice:	(612) 624-1535
University of Minnesota		FAX:	(612) 626-7541
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On Tue, 10 Feb 1998, Gerald Lushington wrote:

> There's a nice detailed discussion on this problem, and how to get around it,
> available on our Web site at:
>
> http://www.asc.hpc.mil/PET/CCM/asc-tips/asc-tips.html
>
> Gerry Lushington
> PET-CCM Research Specialist
> Ohio Supercomputer Center
> 1224 Kinnear Rd.
> Columbus OH 43212-1163
> Ph. 614-292-6036
> Fax 614-292-7168
> e-mail:  gerald(-(at)-)ccl.net
>
> >
> > Dear all,
> >
> > I'm having problems with AO integral files on a G92 job.  My job needs more
> > than 2Gigs of disk space (7Gig scratch disk), but the job craps out with an
> > I/O error when it gets to 2Gig integral file size.  I guess it's to do with
> > the 32 bit OS (Irix5.3 on a SG Indy) limiting the maximum file size to
> > 2Gig.  Is there a way to increase the maximum size of the integral file, or
> > limit the size of the written file, i.e., don't write all the integrals
> > out?  Of course, it may be something else entirely.
> >
> >
> > Darren Andrews.
> >
> > PostGraduate Student,
> > School of Chemistry,
> > University of Leeds,
> > Leeds.
> > LS2 9JT.
> > England.
> >
> > Darrena ^at^ chem.leeds.ac.uk
> >
> > Tel: 0113 233 6594.
> > Fax: 0113 233 6565.
> >
> >
> >
> > -------This is added Automatically by the Software--------
> > -- Original Sender Envelope Address: darrena -x- at -x- chem.leeds.ac.uk
> > -- Original Sender From: Address: darrena \\at// chemistry.leeds.ac.uk
> > CHEMISTRY;at;www.ccl.net: Everybody | CHEMISTRY-REQUEST;at;www.ccl.net:
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search
> >              Web: http://www.ccl.net/chemistry.html
> >
>
>
> -------This is added Automatically by the Software--------
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