[Molpro-user] running molpro with additional mpirun options

[Andy May]

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?
> 
> best wishes
> 
> john
> 
> ----- 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
> 
> John,
> 
> 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,
> 
> Andy
> 
> 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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