[lammps-users] error about MPI

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1

Hello,

I run my in.file using LAMMPS. When I run with 2CPU, system gives a error, while there isn’t the error with other number of cpus,such as 1 3 5 6. What’s the matter? Is there a bug in LAMMPS25Jan08. Help!

Thanks a million.

ERROR:
ERROR on proc 0: Bond atoms 2 3 missing on proc 0 at step 10267
MPI: On host sgi4700, Program /disk2/phys/zmd/lmps8/src/lmp_linux, Rank 0, Process 27292 called MPI_Abort(, 1)

MPI: --------stack traceback-------
sh: idb: command not found

MPI: -----stack traceback ends-----
MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
MPI: aborting job

2

Bond atoms missing generally means the pair of atoms moved too
far apart so that a processor cannot find both atoms to perform the
bond computation. You need to figure out why that happened.
Probably b/c the atoms got too close together and then were blown apart.

Steve