[molpro-user] disk and memory requirements for MP2
eyurtsev at ku.edu.tr
Mon Oct 6 15:47:29 BST 2008
Dear Molpro users
I am running a molpro MP2 calculation of antracene dimer with aug-
run stops with
Error writing 32768 words at offset 7482507264. to file21 implementation=eaf file handle=1 ierr=-1000
? the problem occurs in writew
I seem to be running out of disk space.
1) Did I understand the problem correctly?
2) is there a way to figure out the necessary disk space (and/or the
memory) before doing MP2?
3) Is it possible to do a calculation restricted to a certain amount
I appreciate any help
College of Sciences
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