Dear Amber Fans
I am facing the following problem. My system is UBUNTU 24.04.1. The Amber
program is Amber24. I re-installed MMPBSA.py many times but no response.
Any help would be appreciated.
File "/home/ibrahim/amber24/bin/./MMPBSA.py.MPI", line 39, in <module>
from MMPBSA_mods.exceptions import MMPBSA_Error, InputError,
CommandlineError
ModuleNotFoundError: No module named 'MMPBSA_mods'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/ibrahim/amber24/bin/./MMPBSA.py.MPI", line 45, in <module>
raise ImportError('Could not import Amber Python modules. Please make
sure '
ImportError: Could not import Amber Python modules. Please make sure you
have sourced $AMBERHOME/amber.sh (if you are using sh/ksh/bash/zsh) or
$AMBERHOME/amber.csh (if you are using csh/tcsh)
File "/home/ibrahim/amber24/bin/./MMPBSA.py.MPI", line 39, in <module>
from MMPBSA_mods.exceptions import MMPBSA_Error, InputError,
CommandlineError
ModuleNotFoundError: No module named 'MMPBSA_mods'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/ibrahim/amber24/bin/./MMPBSA.py.MPI", line 45, in <module>
raise ImportError('Could not import Amber Python modules. Please make
sure '
ImportError: Could not import Amber Python modules. Please make sure you
have sourced $AMBERHOME/amber.sh (if you are using sh/ksh/bash/zsh) or
$AMBERHOME/amber.csh (if you are using csh/tcsh)
Traceback (most recent call last):
File "/home/ibrahim/amber24/bin/./MMPBSA.py.MPI", line 39, in <module>
from MMPBSA_mods.exceptions import MMPBSA_Error, InputError,
CommandlineError
ModuleNotFoundError: No module named 'MMPBSA_mods'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/ibrahim/amber24/bin/./MMPBSA.py.MPI", line 45, in <module>
raise ImportError('Could not import Amber Python modules. Please make
sure '
ImportError: Could not import Amber Python modules. Please make sure you
have sourced $AMBERHOME/amber.sh (if you are using sh/ksh/bash/zsh) or
$AMBERHOME/amber.csh (if you are using csh/tcsh)
--------------------------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
Traceback (most recent call last):
File "/home/ibrahim/amber24/bin/./MMPBSA.py.MPI", line 39, in <module>
from MMPBSA_mods.exceptions import MMPBSA_Error, InputError,
CommandlineError
ModuleNotFoundError: No module named 'MMPBSA_mods'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/ibrahim/amber24/bin/./MMPBSA.py.MPI", line 45, in <module>
raise ImportError('Could not import Amber Python modules. Please make
sure '
ImportError: Could not import Amber Python modules. Please make sure you
have sourced $AMBERHOME/amber.sh (if you are using sh/ksh/bash/zsh) or
$AMBERHOME/amber.csh (if you are using csh/tcsh)
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status,
thus causing
the job to be terminated. The first process to do so was:
Process name: [[41044,1],0]
Exit code: 1
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Received on Sat Mar 22 2025 - 03:00:02 PDT
