not enough space for scratch file?
zsu
zsu at ualberta.ca
Tue Jul 8 23:23:34 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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