wrabs error
Michal Straka
straka at chem.helsinki.fi
Tue Nov 26 10:33:06 GMT 2002
Dear Molpro users,
we get following message when doing rhf/ccsd(t)
calculation; it comes before HF procedure
...
NUMBER OF SORTED TWO-ELECTRON INTEGRALS: 454906828 BUFFER LENGTH:
12288
NUMBER OF SEGMENTS: 58 SEGMENT LENGTH: 7856640 RECORD LENGTH:
65536
Memory used in sort: 7.93 MW
wrabsf: Error in writing to file T1400019981.TMP (unit 14), 65536 words
at word offset 608830464
ERROR EXIT
...
We have Molpro2000.1, compiled to deal with 2G
problem CC="cc -D_FILE_OFFSET_BITS=64", as suggested previously
in this list.
(Before compiling it with
"cc -D_FILE_OFFSET_BITS=64" it stoped even earlier with same error,
smaller offset)
The calculation does not seem to produce "disk full", disk is 12G.
Looking forward to some help
Michal Straka
University of Wuerzburg
More information about the Molpro-user
mailing list