[molpro-user] Molpro 2002.6: Problem with Local MP2 (lmp2) together with geometry optimization (optg)

[Ludger Palm]

Dear molpro users,

I encountered a problem when trying to run a geometry optimization
with local mp2.

The lmp2 method works fine (with and without the multp option)
for a single point calculation but aborts when I try to run a geometry
optimization using the optg option printing the error message:

 
********************************************************************************************************************************

  ERROR IN POSINP: CODE MP2      NOT FOUND

  ERROR EXIT
  CURRENT STACK:      MAIN


 
**********************************************************************************************************************************

I attach my input and output files.

What's wrong?

-- 

Yours sincerely / Mit freundlichen Gruessen

  Dr. Ludger Palm

  Leibniz-Rechenzentrum der Bayerischen Akademie der Wissenschaften
  Barer Strasse 21, 80333 Muenchen, Germany
  ludger.palm at lrz-muenchen.de
  Phone: +(0)89-289-28792, Fax: +(0)89-2809460

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