Error in output
Peter Knowles
P.J.Knowles at bham.ac.uk
Wed Apr 16 11:02:44 BST 2003
Dear Martyn,
Yes.
Peter
At Wed, 16 Apr 2003 09:39:46 +0100,
Wheeler, Dr M D wrote:
>
> Dear All,
>
> I have this output following a calculation with a relatively large basis set (Molpro 2000.2). Does this mean that I have run out of disk storage space??
>
> Any hints would be appreciated,
>
> Thanks,
> Martyn.
>
> >>>>>
>
> Eigenvalues of metric
>
> 1 0.176E-04 0.261E-04 0.692E-04 0.813E-04 0.157E-03 0.186E-03 0.300E-03 0.385E-03
>
> Time for two-electron integrals: 941.02 SEC
>
> 862364876 INTEGRALS WRITTEN OUT IN ***** RECORDS ON RECORD 1290 OF FILE 1
>
>
> NUMBER OF SORTED TWO-ELECTRON INTEGRALS: 992418076 BUFFER LENGTH: 12288
> NUMBER OF SEGMENTS: 127 SEGMENT LENGTH: 7856640 RECORD LENGTH: 62976
>
> Memory used in sort: 8.02 MW
> wrabsf: Error in writing to file T1400017967.TMP (unit 14), 62976 words at word offset 575853568
>
> ERROR EXIT
>
>
> **********************************************************************************************************************************
> DATASETS * FILE NREC LENGTH (MB) RECORD NAMES
> 1 15 13804.09 500 600 700 900 950 1000 1100 1400 1410 1200
> VAR BASINP GEOM SYMINP ZMAT BASIS S T V H0
> 1210 1080 1600 1650 1290
> H01 AOSYM SMH MOLCAS ERI
>
> 4 1 4606.83 1350
> wrabsf: Error in writing to file T1400017967.TMP (unit 14), 512 words at word offset 0
>
> ERROR EXIT
>
> RECURSIVE CALL OF ERROR HANDLER, FILE INFORMATION MAY BE LOST
>
> EMERGENCY STOP
>
> ----------------------------------------------
> Dr. Martyn D. Wheeler
> Department of Chemistry
> University of Leicester
> University Road
> Leicester, LE1 7RH, UK.
> Tel (office): +44 (0)116 252 3985
> Tel (lab): +44 (0)116 252 2115
> Fax: +44 (0)116 252 3789
> Email: martyn.wheeler at le.ac.uk
> http://www.le.ac.uk/chemistry/staff/mdw10.html
--
Prof. Peter J. Knowles
Email P.J.Knowles at bham.ac.uk Phone +44-121-414-7472 Fax +44-121-414-7471
School of Chemical Sciences, University of Birmingham, Birmingham, B15 2TT, UK
WWW http://www.tc.bham.ac.uk/~peterk/
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