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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