mpp molpro on alpha

Peter Knowles P.J.Knowles at bham.ac.uk
Tue Apr 29 10:28:06 BST 2003


The MOLPRO_PARTITION stuff is to do with options for prun on the SC
machine. If you are trying to run without that but instead on vanilla
tcgmsg, you should probably insert 
#undef ASSC
at the top of utilities/molpro.c
Peter
At Mon, 28 Apr 2003 14:20:01 -0600,
Anita Orendt wrote:
> 
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> 
> Hello,
> 
> I am trying to get mpp molpro (2002.6) running on an Alpha Cluster running
> DecOSF V5.1 using tcgmsg (I am having difficulty getting the GA package to
> build for the Quadrix switch~if anyone happens to knows anything about this!).
> On this same platform I can successfully run the non-mpp build of this version
> of molpro.
> 
> The parallel build seems to be successful but when I try to run execute the
> program, I get the following message:
> 
> You must set the MOLPRO_PARTITION environment variable
> 
> I have searched the user~s Manual and can find no references for
> MOLPRO_PARTITION.
> 
> Any assistance would be much appreciated.
> 
> Regards,
> 
> Anita Orendt
> 
> ********************************
> 
> Anita M. Orendt, Ph. D.
> 
> Staff Scientist for Molecular Sciences
> 
> Center for High Performance Computing
> 
> University of Utah
> 
> 155 South 1452 East Room 412
> 
> Salt Lake City, UT 84112-0190
> 
> email:  orendt at chpc.utah.edu
> 
> phone: 801-587-9434
> 
> fax: 801-585-5366
> 
> *********************************
> 
> 

--
Prof. Peter J. Knowles              
Email P.J.Knowles at bham.ac.uk  Phone +44-121-414-7472  Fax +44-121-414-7471
School of Chemical Sciences, University of Birmingham, Birmingham, B15 2TT, UK
WWW http://www.tc.bham.ac.uk/~peterk/



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