Re: [lammps-users] NEB EXAMPLE

[Alexandra Davila <davila@...6924...>]

if I do:

$ mpirun -np 4 lmp_mpi -partition 4x1 -in in.neb.hop1
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: [[51470,1],0]
  Exit code:    1
--------------------------------------------------------------------------

my mpi version is

$ mpirun --version
mpirun (Open MPI) 1.10.2                                                                                                                                                                 Report bugs to http://www.open-mpi.org/community/help/

I thought, if I used OpenMPI, i didnt need to specify the MPI variables.
What do you recommend me ?

thanks,

On 14.08.2017 18:10, Axel Kohlmeyer wrote:

On Mon, Aug 14, 2017 at 12:01 PM, Alexandra Davila <davila@...6924...> 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)​.

axel.

 

thanks,


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--

Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.