mpi bonded

Dear Lammps users,

In simple terms I am having trouble getting bonded systems to run in parallel. I have tried to reduce this problem to a simple input script and data file.

I have a system which contains symmetric dumbbell molecules with a separation of 0.5sigma, harmonic interaction k=200 (with lammps 1/2 inclusive convention) and inter-particle interactions of LJ form sigma=1.0 Epsilon=1.0.

The script runs on a single processor however with mpirun I get the message appended at the bottom of this email.

Any help with the origin of my mistake would be much appreciated.

Many thanks, Jeff.

Scanning data file …
1 = max bonds/atom
Reading data file …
orthogonal box = (0 0 0) to (18 18 140)
1 by 1 by 4 MPI processor grid
45360 atoms
22680 bonds
Finding 1-2 1-3 1-4 neighbors …
1 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
ERROR on proc 1: Bond atom missing in box size check (domain.cpp:555)
ERROR on proc 2: Bond atom missing in box size check (domain.cpp:555)
ERROR on proc 0: Bond atom missing in box size check (domain.cpp:555)

Dear Lammps users,

In simple terms I am having trouble getting bonded systems to run in
parallel. I have tried to reduce this problem to a simple input script and
data file.

please provide these files. it is difficult to make proper
recommendations or run tests with partial information.

I have a system which contains symmetric dumbbell molecules with a
separation of 0.5sigma, harmonic interaction k=200 (with lammps 1/2
inclusive convention) and inter-particle interactions of LJ form sigma=1.0
Epsilon=1.0.

The script runs on a single processor however with mpirun I get the message
appended at the bottom of this email.

Any help with the origin of my mistake would be much appreciated.

do you use by any chance shrinkwrap boundary conditions?
trying using "m" instead.

axel.