[AMBER] Problems with MMPBSA.py.MPI

From: James Starlight <jmsstarlight.gmail.com>
Date: Fri, 3 Oct 2014 09:30:23 +0200

Dear Amber Users!

I've faced with the problem while performing mmgbsa calculations in
parallel using mpi on amber-tools 12

calling mpirun -np 4 MMPBSA.py.MPI produced the error

Fatal Error: I could not find the Python MPI package (mpi4py)! This means
             it could not be built during the standard AmberTools
             Check $AMBERHOME/src/AmberTools/mpi4py_install.log for errors.

I've tried to import it from the python but result as the same

gleb.gpu2 61% cd $AMBERHOME/bin
gleb.gpu2 62% python
Python 2.7.5 (default, May 30 2013, 16:55:57) [GCC] on linux2
Type "help", "copyright", "credits" or "license" for more information.
>>> from mpi4py import MPI
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
ImportError: No module named mpi4py

could you suggest me trivial solutions of this problems ? Using latest Suse
I have not found mpi4py package in its repositories

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Received on Fri Oct 03 2014 - 01:00:02 PDT
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