Dear Amber Users,
I am getting the following error while running MMPBSA using mpi.
File "/home/prabir/SOFTWARE/AMBER/amber14/bin/MMPBSA.py.MPI", line 59, in
<module>
raise MMPBSA_Error('Could not import mpi4py package! Use serial version
'
raise MMPBSA_Error('Could not import mpi4py package! Use serial version
'
MMPBSA_mods.exceptions.MMPBSA_Error: raise MMPBSA_Error('Could not
import mpi4py package! Use serial version '
MMPBSA_mods.exceptions.MMPBSA_Error: Could not import mpi4py package! Use
serial version or install mpi4py.
Could not import mpi4py package! Use serial version or install mpi4py.
raise MMPBSA_Error('Could not import mpi4py package! Use serial version
'
Please note that I did not face any problem in installing the parallel
version of amber. mpi4py that needs to be loaded for use is installed in
the server though I did not load this module during the installation.
However, I loaded mpi4py module before running the MMPBSA.py.MPI following
the error message in log file, as it showed that it could not import
mpi4py. Can anyone
please tell me how to get rid of this problem? Do I need to recompile amber
by loading mpi4py? Any suggestion would be appreciated.
Thanking you,
Sincerely,
Prabir
*Prabir Khatua*
*Postdoctoral Research Associate*
*Department of Chemistry & Biochemistry*
*University of Oklahoma*
*Norman, Oklahoma 73019*
*U. S. A.*
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Received on Thu Mar 14 2019 - 15:30:02 PDT
