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[lammps-users] Error running on multiple pprocessors
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[lammps-users] Error running on multiple pprocessors


From: Neda Rafiee <ne.rafiee@...444...>
Date: Sat, 2 Sep 2017 12:56:54 +0430

Dear lammps users,
I have a problem in running my file on multiple processors. When I try "mpirun -np 1 ./lmp_mpi -in in.myfile" I get no error. When I try using 2 processors, again I have no problem, but when increasing the np to 8 or 16, I get the following error:

ERROR on proc 0: Restrain atoms 36 25 28 30 missing on proc 0 at step 0 (../fix_restrain.cpp:459)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
ERROR on proc 1: Restrain atoms 8356 8345 8348 8350 missing on proc 1 at step 0 (../fix_restrain.cpp:459)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 1

I searched the error section of the manual and I found that it is relaed to dihedrals. But I don't know why it happens only when I use more than 2 processors???
Anyone can help with finding where the problem could be?
Thanks.
Neda