error after 2e- integrals
Kirk Peterson
ng570 at talisker.emsl.pnl.gov
Wed Jan 9 16:26:24 GMT 2002
Normally I would agree when the program dies in this place, but I found
it strange that it dies with a read error rather than a write
error as would be more typical for a "out of disk" problem. What
machine is this on and were there any nonstandard compilation issues?
best regards,
Kirk
------------------------------------------------------------------------------
Kirk A. Peterson
Department of Chemistry & Theory, Modeling, and Simulation
2710 University Dr. Environmental Molecular Sciences Laboratory
Washington State University Pacific Northwest National Laboratory
Richland, WA 99352 P.O. Box 999, Mail Stop K8-91
Office: (509) 376-2023, (509) 372-7282
Fax: (509) 376-0420
kirk.peterson at pnl.gov
http://www.tricity.wsu.edu/~kipeters/
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>
> Seems obviously that you are running out of your hard disk space
> where integral files are stored during calculations. Increase space for
> temporary molpro files.
>
> Best regards,
>
> Jacek
> /\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\
> Dr Jacek Klos
> Institute of Theoretical Chemistry
> University of Nijmegen
> Toernooiveld 1
> 6525 ED Nijmegen, The Netherlands
> ----------------------
> Phone: +31 24-3653038
> Fax: +31 24-3653041
> E-mail: jakl at theochem.kun.nl
> \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/
>
> On Tue, 8 Jan 2002, Mike Salazar wrote:
>
> > I am receiving the following error message after the 2e- integrals are
> > computed. Can someone please help me find the problem.
> >
> > Thank you,
> >
> > Mike Salazar
> >
> > Message:
> >
> > Time for two-electron integrals: 165.48 SEC
> >
> > 41279541 INTEGRALS WRITTEN OUT IN 10081 RECORDS ON RECORD 1290 OF
> > FILE 1
> >
> > rdabsf: Error in reading from file T1100983350.TMP (unit 11), 8640 words
> > at word offset 112320
> >
> > ERROR EXIT
> >
> >
> >
> > **********************************************************************************************************************************
> > rdabsf: Error in reading from file T1100983350.TMP (unit 11), 8640 words
> > at word offset 43200
> >
> > ERROR EXIT
> >
> > RECURSIVE CALL OF ERROR HANDLER, FILE INFORMATION MAY BE LOST
> >
> > EMERGENCY STOP
> >
>
>
----- End of forwarded message from Jacek A. Klos -----
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