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Re: [lammps-users] mpirun command giving error while trying to run a simulation involving NEB method.
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Re: [lammps-users] mpirun command giving error while trying to run a simulation involving NEB method.

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 13 Jun 2017 15:05:36 -0400

On Tue, Jun 13, 2017 at 2:57 PM, Madhur Aggarwal <madhur.aggarwal@...6854...> wrote:
Dear Sir,

I am trying to run a simulation which involves the use of neb method. I ran this command: mpirun -np 8 lmp_mpi -partition 8x1 -in step5_production.inp but it is giving the following error:

[madhur@...6926... ~]$ mpirun -np 8 lmp_mpi -partition 8x1 -in step5_production.inp
LAMMPS (31 Mar 2017)
Running on 8 partitions of processors
MPI_ABORT was invoked on rank 7 in communicator MPI_COMM_WORLD
with errorcode 1.

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.
mpirun has exited due to process rank 7 with PID 34354 on
node exiting improperly. There are two reasons this could occur:

1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.

2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"

This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
[] 1 more process has sent help message help-mpi-api.txt / mpi-abort
[] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages

I am not able to resolve this issue. Please help me sir. Thanks a lot in advance.

​there is nothing that can be done from remote with this information.

have you checked out the various screen.* files? they should contain some error message information.



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Dr. Axel Kohlmeyer  akohlmey@...92......
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.