Error in output

Wheeler, Dr M.D. mdw10 at leicester.ac.uk
Wed Apr 16 09:39:46 BST 2003


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




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