[Molpro-user] running molpro with additional mpirun options

John Travers jtravers70 at yahoo.com
Fri Sep 5 18:09:16 BST 2008

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?

best wishes


----- Original Message ----
From: Andy May <MayAJ1 at cardiff.ac.uk>
To: John Travers <jtravers70 at yahoo.com>
Cc: molpro-user at molpro.net
Sent: Friday, September 5, 2008 12:47:48 PM
Subject: Re: [Molpro-user] running molpro with additional mpirun options


It depends which version of Molpro you are using. For 2008.1 you should 
be able to modify the variable LAUNCHER in your CONFIG file, then type 
make and it will get written into bin/molpro.

Best wishes,


John Travers wrote:
> Dear molpro user:
>          Could any one teach me how to add an additional option, e.g. 
> -input0 for the mpirun, in running of molpro compiled with MPI using 
> infiniband network? 
> Thank you 
> John
> ------------------------------------------------------------------------
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