/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #ifdef PAIR_CLASS PairStyle(table/gpu,PairTableGPU) #else #ifndef LMP_PAIR_TABLE_GPU_H #define LMP_PAIR_TABLE_GPU_H #include "pair_table.h" namespace LAMMPS_NS { class PairTableGPU : public PairTable { public: PairTableGPU(LAMMPS *lmp); ~PairTableGPU(); void cpu_compute(int, int, int, int, int *, int *, int **); void compute(int, int); void init_style(); double memory_usage(); enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; private: int gpu_mode; double cpu_time; }; } #endif #endif /* ERROR/WARNING messages: E: Insufficient memory on accelerator There is insufficient memory on one of the devices specified for the gpu package E: Cannot use newton pair with table/gpu pair style Self-explanatory. E: Pair distance < table inner cutoff Two atoms are closer together than the pairwise table allows. E: Pair distance > table outer cutoff Two atoms are further apart than the pairwise table allows. */