Dear LAMMPS users,
I have a system with solid, liquid and gas phases. The 10 layers in the bottom are solids and above that 90% of the system is occupied by vapor. A small liquid sphere (with radius about 1/8 of vapor dimensions) is in the vapor and in equilibrium with it. The total number of atoms is around 2 million. I used only LJ potential and 1024 nodes to compute the system. I found the computing speed is very low, about 25mins per 10k steps (while for same size pure vapor system, I got 6mins per 10k steps). How could I speed up the computing effeciency for this kind of system with highly heterogeneous density? I think this is resulted by the spatial decomposition of atoms to each processor so most of processors got only several hundred atoms while minor processors got huge number of atoms which severely slowed down the whole speed.
Do you guys have any suggestions to overcome it?
Thanks in advance.