[molpro-user] differences between 2006 and 2008
werner at theochem.uni-stuttgart.de
Wed Nov 4 11:13:22 GMT 2009
This is due to wrong input. Please replace memory,300m by memory,300,m
(actually, memory,30,m also works for this example).
Am 03.11.2009 um 08:39 schrieb ERSIN YURTSEVER:
> I am running a df-lmp2 of formic acid with aug-cc-pVQZ basis and
> geometry optimization. Using memory,150m with Molpro 2006.1, I do
> not have any problems. However, with Molpro 2008.1 even with memory,
> 300m or more, the optimization stops with insufficient memory
> message. I am attaching the input file and output of both versions.
> Any help is appreciated.
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