hello everyone, I am simulating the gas adsorption with GCMC. I would like to know whether this process be accelerated by GPU? It takes same time for only CPU and using GPU in my simulation.
CPU command : lmp -in ./in.lammps
GPU command: lmp -in ./in.lammps -sf gpu -pk gpu neigh no
Thank you.
The time consuming part in fix gcmc is not the fix itself but that it calls the force functions to repeatedly compute the energy of the system. So those need to be GPU accelerated.
The LAMMPS manual clearly indicates which styles are accelerated by the GPU package.
The force calculations in GCMC can be accelerated on GPUs if using the full_energy option.
Thanks for your reply. I will try it.
Thank you. I will try it