[Molpro-user] running molpro with additional mpirun options

Andy May MayAJ1 at cardiff.ac.uk
Fri Sep 5 17:47:48 BST 2008


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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