1 /* -*- c++ -*- ---------------------------------------------------------- 2 LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator 3 https://www.lammps.org/, Sandia National Laboratories 4 Steve Plimpton, sjplimp@sandia.gov 5 6 Copyright (2003) Sandia Corporation. Under the terms of Contract 7 DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains 8 certain rights in this software. This software is distributed under 9 the GNU General Public License. 10 11 See the README file in the top-level LAMMPS directory. 12 ------------------------------------------------------------------------- */ 13 14 #ifdef PAIR_CLASS 15 // clang-format off 16 PairStyle(morse/gpu,PairMorseGPU); 17 // clang-format on 18 #else 19 20 #ifndef LMP_PAIR_MORSE_GPU_H 21 #define LMP_PAIR_MORSE_GPU_H 22 23 #include "pair_morse.h" 24 25 namespace LAMMPS_NS { 26 27 class PairMorseGPU : public PairMorse { 28 public: 29 PairMorseGPU(LAMMPS *lmp); 30 ~PairMorseGPU(); 31 void cpu_compute(int, int, int, int, int *, int *, int **); 32 void compute(int, int); 33 void init_style(); 34 double memory_usage(); 35 36 enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; 37 38 private: 39 int gpu_mode; 40 double cpu_time; 41 }; 42 43 } // namespace LAMMPS_NS 44 #endif 45 #endif 46 47 /* ERROR/WARNING messages: 48 49 E: Insufficient memory on accelerator 50 51 There is insufficient memory on one of the devices specified for the gpu 52 package 53 54 E: Cannot use newton pair with morse/gpu pair style 55 56 Self-explanatory. 57 58 */ 59