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