As Axel said, we need more information
- Does it give more output (e.g. an error message) when using unbuffered output: How to debug lammps input script that generates no log or output files
- Does LAMMPS run for a while (e.g. thousands of timesteps), give output as expected, but then hang on a certain timestep?
- Or does it hang on startup, with little or no output from LAMMPS at the beginning?
- Does it also hang when running on only a single MPI rank instead of multiple ranks?