Then my suspicion is that mpi4py is not installed correctly. Try removing
$AMBERHOME/bin/mpi4py/ and going to $AMBERHOME/AmberTools/src/mmpbsa_py/
and typing "make parallel"
HTH,
Jason
On Wed, Dec 12, 2012 at 9:08 PM, marawan hussain
<marawanhussain.yahoo.com>wrote:
> Hi Jason,
> No. I'm qsubbing the script. It works normally if i run sander.MPI for any
> other sander job.
>
> Regards
> Marawan
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Dec 13 2012 - 05:30:03 PST
