not enough space for scratch file?

zsu zsu at ualberta.ca
Tue Jul 8 23:18:02 BST 2003


Dear Molpro users:

I've tried to calculate single point energy of a van der Waals complex with
MP2/aug-cc-pVDZ. But molpro gave an error report as follows:

********************
NUMBER OF SORTED TWO-ELECTRON INTEGRALS: 2304967356.     BUFFER LENGTH:  32768
 NUMBER OF SEGMENTS: 146  SEGMENT LENGTH:   15835935      RECORD LENGTH:
65536

 Memory used in sort:      15.93 MW
Write error in iow_direct_write; fd=10, l=65536, p=782372864; read returns
90112

 ERROR WRITING  65536 WORDS AT OFFSET  782372864. TO FILE 4  IMPLEMENTATION=df
  FILE HANDLE=    10  IERR=******
 ? Error
 ? I/O error
 ? The problem occurs in writew

 ERROR EXIT
************

Is it because the temparary file is too large? Can I separate it into several
parts?

Thank you very much.

Zheng




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