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Re: [lammps-users] NEB EXAMPLE
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Re: [lammps-users] NEB EXAMPLE

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 14 Aug 2017 12:10:04 -0400

On Mon, Aug 14, 2017 at 12:01 PM, Alexandra Davila <davila@...6925...4...> wrote:
Hi Lammps-users,

I am trying to run the neb example, but i become this ERROR message:

mpirun -np 2 lmp_mpi -partition 2x1 -in in.diffusion


ERROR: Processor partitions do not match number of allocated processors (../lammps.cpp:260)
ERROR: Processor partitions do not match number of allocated processors (../lammps.cpp:260)
Primary job  terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
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: [[51984,1],0]
  Exit code:    1

what am i doing wrong?

​the fact you you get two error messages is worrisome. there should be only one. do you get four, if you use mpirun -np 4?
if yes, it means, that either your lmp_mpi executable is not compiled for use with MPI, or that your mpirun command belongs to a different MPI library than what lmp_mpi was compiled with (e.g. MPICH vs. OpenMPI vs. IntelMPI vs. MVAPICH)​.




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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.