[molpro-user] differences between 2006 and 2008

[tereza sedivcova]

Dear all,
I have also problem caused by different version.  Version 2006 goes
well, but 2008 crashes during standard optimization. The outputs are
enclosed.

Sincerely,
Tereza

On Tue, Nov 3, 2009 at 8:39 AM, ERSIN YURTSEVER <eyurtsev at ku.edu.tr> wrote:
> 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.
>
> thanks
>
> ersin
>
>
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