LAMMPS GPU Monte Carlo

When I try to run Hybrid Monte-Carlo Molecular Dynamics simulation in lammps using GPU, Monte carlo simulation stopped showing this error message ‘/home/akohlmey/compile/lammps-packages/mingw-cross/lammps/lib/gpu/geryon/ocl_memory.h’ in line 597. What should I do to solve this problem?

Your description is likely too vague to allow any investigation. You many want to check out Please Read This First: Guidelines and Suggestions for posting LAMMPS questions for how to properly post an issue. Namely, you should provide the following info:

  1. your lammps version (and check the latest version if you have not)
  2. how you compiled lammps and what platform you’re on (from the error message I guess it’s the pre-built Windows executable)? Did you run with MPI or not?
  3. the hardware (especially the GPU model) you use. As a blind guess, is the GPU memory exhausted during the simulation (use task manager to check GPU memory usage)?
  4. and probably most importantly, a complete set of input files so others can reproduce your issue.