[lammps-users] MD fails with more than certain number of processors

Dear lammps users,

I have a problem with running the paralleled version, which is, when I use more then 8 processors to run my job ( which works well for the serial version and small number of processors like smaller than 8), lammps hangs or crashes at the setup running section. My system only involves a bar of LJ solids and 3000 waters above it. I don’t have any clues about the error, actually there is no error reports for this problem from the output files. Considering the size of my system is not that large, I guess the communication speed and buffering should not be a problem. I have compiled lammps on two different machines with different MPI, and that did not solve my problem. So I wonder if anyone have the same problem with me.

Kai Huang

Post your input script and data file and say how many
procs (few as possible) it fails on.