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?