[Molpro-user] running molpro with additional mpirun options

Mikael Johansson mpjohans at chem.au.dk
Tue Sep 9 10:07:04 BST 2008

Hello All!

Unless I'm misunderstanding the issue, it shouldn't be that laborious.  
You could change you molpro.rc file, which includes the "program run  
wrapper" from:

where mpirundummy is a script which intercepts the mpirun command and  
modifies it as it (you) sees fit before executing the real mpirun.

It worked for me in a similar situation (needed to change some stuff  
for HP-MPI over IB).

Have a nice day,
     Mikael J.

On Mon, 08 Sep 2008 Andy May <MayAJ1 at cardiff.ac.uk> wrote:

> John,
> In 2006.1 you would need to make changes to utilities/molpro.c, which
> may be a little complicated.
> Best wishes,
> Andy
> John Travers wrote:
>> Hi, Andy and Kirk,
>>      thanks for the reply. unfortunately, we only have the 2006.1
>> version. Is there any easy way to do it in this version?

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