[molpro-user] F3EXTSIZE
Leo Holroyd
lfh2 at st-andrews.ac.uk
Thu Feb 2 15:40:15 GMT 2012
How does one use the F3EXTSIZE option to set the maximum file size for
3-external integrals? This is the error message when the size limit is
exceeded:
File size for 3-external integrals using MO/center triples: 113.307 GB
File size limit (100.0 GB) exceeded. Please use F3EXTSIZE to increase
File size limit
? Error
? File size limit exceeded
? The problem occurs in SizeOf3extcen
GLOBAL ERROR fehler on processor 0
Many thanks,
Leo Holroyd
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