[lammps-users] Parallel simulation problem with Lammps

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1

Hello,

I am doing molecular simulation of confined simple fluids between two walls.
I don't have any problem using a single processor but when I try to do parallel simulation, eventhough the program gives me a good speedup, but the type of my one of my atoms (i.e. wall type=2) is not recognizable by the code. Other atom types are fine.
Therefore, the force calculations near one of the walls are not done correctly.

Do you have any suggestion how can I fix this problem?

Thank you
Anoosheh

2

but the type of my one of my atoms (i.e. wall type=2) is not recognizable by the code.

Don't know what you mean by this. In general LAMMPS should give
the same answer (e.g. thermodynamics) on 1 proc as on many.

Steve