You can try the command:
export PYTHONPATH=$AMBERHOME/bin\:$PYTHONPATH
and then try re-running. This error should be triggered by something as
trivial as:
MMPBSA.py.MPI --help
Good luck,
Jason
On Tue, Jul 2, 2013 at 2:13 AM, Asmita Gupta <asmita4des.gmail.com> wrote:
> In my installation of amber12 parallel version, all serial and parallel
> executables of cpptraj, sander, and MMPBSA.py(serial and .MPI) are located
> in $AMBERHOME/bin dir...as well as the dir MMPBSA_mods is too located there
> only..so the locations are same for everything...
>
> However, as mpi4py was not installed with my system python installation, i
> installed it manually using the distribution provided with Amber12
> ($AMBERHOME/AmberTools/src/mmpbsa/mpi4py-1.2 version) using the default
> options given in mpi.cfg file..and an executable python-mpi was created in
> /usr/local/lib/python2.6/dist-packages/mpi4py/bin/)..
>
> The installation was successful as i ran test scripts given in test and
> demo folders. But still, MMPBSA.py.MPI couldn't be run and i got the same
> error as above...
>
> Do i need to create a PATH or something?or copy the mpi-executable to
> $amberhome/bin ( i did that too)...
>
> Thanks
>
> Asmi
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Jul 02 2013 - 04:00:02 PDT
