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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