Dear users,
I am trying to rum MMPBSA.py.MPI on 5 cores for 1000 frames of simulation.
The serial version of the same is running properly on the machine, but when
i 'm trying to submit the same script in parallel, i 'm getting this
message :
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
ImportError: cannot import name run_calculations
Exiting. All files have been retained.
ImportError: cannot import name run_calculations
Exiting. All files have been retained.
ImportError: cannot import name run_calculations
Exiting. All files have been retained.
ImportError: cannot import name run_calculations
Exiting. All files have been retained.
ImportError: cannot import name run_calculations
Exiting. All files have been retained.
-----------------------------------------------------------------------------
Is this has got to do with mpi4py installation?
Thanks
Asmi
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Received on Mon Jul 01 2013 - 06:30:03 PDT
