[Molpro-user] running molpro with additional mpirun options

[Mikael Johansson]

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:
   -l/anicepath/mpirun
->
   -l/anevennicerpath/mpirundummy

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.
     http://www.iki.fi/~mpjohans


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?


----------------------------------------------------------------
This message was sent using IMP, the Internet Messaging Program.