[Molpro-user] perturbative triples with molpro2008.1 -n > 1 ?

[Hans-Joachim Werner]

Yes, mpp is currently disabled since there is a bug in the mpp version
which we could not resolve before releasing 2008.1. I hope that the bug
will be fixed soon and then a patch will be made available.
Best regards
Joachim Werner
--  
Prof. Hans-Joachim Werner
Institute for Theoretical Chemistry
University of Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart, Germany
Tel.: (0049) 711 / 685 64400
Fax.: (0049) 711 / 685 64442
e-mail: werner at theochem.uni-stuttgart.de




Am 27.08.2008 um 11:22 schrieb Berger Raphael:

> Dear Molpro Users,
>
> when trying to calculate a df-lccsd(tf) energy using molpro 2008.1
> (mpp) with  the -n 4 option I get:
>
> L(T) presently disabled for nprocs gt 1
>
> while it seems to run with 2006.52. I could'nt find anything about  
> that
> in the manual. Does anyone from you know more about this?
>
> Best regards
> 	Raphael
>
>
>
> ----------------------------------------------
> Dr. Raphael J. F. Berger
>
> Anorganische Chemie und Strukturchemie
> Universitaet Bielefeld
> Fakultaet fuer Chemie
> Universitaetsstr. 25
> D-33615 Bielefeld
> Germany
>
> Tel.: ++49-521-106 2143 Labor
>       ++49-521-106 6164 Buero
> Email: raphael.berger at uni-bielefeld.de (off.)
>                berger at chem.helsinki.fi (priv.)
> ----------------------------------------------
>
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