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[lammps-users] problem with running lammps in parallel
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[lammps-users] problem with running lammps in parallel


From: Ana Cristina Ramírez <cristinaramz@...8...>
Date: Tue, 1 Aug 2017 13:42:28 +0000


Hello everyone. I have this problem when running lammps for the density calculation. Any suggestion?



ERROR on proc 6: Out of range atoms - cannot compute PPPM (../pppm.cpp:1927)
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 6 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.