From patter \\at// pollux.chem.umn.edu Tue Feb 10 15:11:07 1998 Received: from pollux.chem.umn.edu for patter # - at - # pollux.chem.umn.edu by www.ccl.net (8.8.3/950822.1) id OAA08699; Tue, 10 Feb 1998 14:13:17 -0500 (EST) Received: from localhost by pollux.chem.umn.edu via SMTP (950413.SGI.8.6.12/950213.SGI.AUTOCF) id NAA11999; Tue, 10 Feb 1998 13:12:43 -0600 Date: Tue, 10 Feb 1998 13:12:42 -0600 (CST) From: "Eric V. Patterson" To: Darren Andrews chemistry.leeds.ac.uk> cc: chemistry -AatT- www.ccl.net Subject: Re: CCL:G:Gaussian scratch space limitation In-Reply-To: <199802101631.LAA07671-0at0-oscdesk53.ccl.net> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII 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 207 Pleasant St. SE email: patter()at()pollux.chem.umn.edu Minneapolis, MN 55455 WWW: http://pollux.chem.umn.edu/~patter 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 (- at -) 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: Coordinator > > MAILSERV $#at#$ www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH %-% at %-% www.ccl.net -- archive search > > Web: http://www.ccl.net/chemistry.html > > > > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: gerald -AatT- ccl.net > -- Original Sender From: Address: gerald -AatT- ccl.net > CHEMISTRY(-(at)-)www.ccl.net: Everybody | CHEMISTRY-REQUEST(-(at)-)www.ccl.net: Coordinator > MAILSERV &$at$& www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH # - at - # www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html >