diff --git a/lammps_simulator/computer.py b/lammps_simulator/computer.py index 04a2de2..d084d57 100644 --- a/lammps_simulator/computer.py +++ b/lammps_simulator/computer.py @@ -201,7 +201,6 @@ def __init__(self, gpu_per_node=1, lmp_exec="lmp", lmp_args={}, "-sf": "kk"} elif mode == "gpu": default_lmp_args = {"-pk": "gpu newton on neigh full", - "-k": f"on g {self.gpu_per_node}", "-sf": "gpu"} else: raise NotImplementedError