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[lammps-users] Shell command
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[lammps-users] Shell command


From: Neda Rafiee <ne.rafiee@...444...>
Date: Fri, 1 Sep 2017 15:32:24 +0430

Dear Users,
I want to run my program on a cluster on 16 processors and I have used the "Shell" command in my program. I am also using "fix colvars". I got the following error:

ERROR on proc 0: Restrain atoms 36 25 28 30 missing on proc 0 at step 0 (../fix_restrain.cpp:459)
ERROR on proc 4: Restrain atoms 36 25 28 30 missing on proc 4 at step 0 (../fix_restrain.cpp:459)
ERROR on proc 12: Restrain atoms 36 25 28 30 missing on proc 12 at step 0 (../fix_restrain.cpp:459)
ERROR on proc 8: Restrain atoms 36 25 28 30 missing on proc 8 at step 0 (../fix_restrain.cpp:459)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 12
ERROR on proc 5: Restrain atoms 8356 8345 8348 8350 missing on proc 5 at step 0 (../fix_restrain.cpp:459)

Anyone knows what can I do?
Thanks,
Neda