/* -*- 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 FIX_CLASS FixStyle(GPU,FixGPU) #else #ifndef LMP_FIX_GPU_H #define LMP_FIX_GPU_H #include "fix.h" namespace LAMMPS_NS { class FixGPU : public Fix { public: FixGPU(class LAMMPS *, int, char **); ~FixGPU(); int setmask(); void init(); void setup(int); void min_setup(int); void post_force(int); void min_post_force(int); void post_force_respa(int, int, int); double memory_usage(); private: int _gpu_mode; int _nlevels_respa; double _particle_split; }; } #endif #endif /* ERROR/WARNING messages: E: Cannot use fix GPU with USER-CUDA mode enabled You cannot use both the GPU and USER-CUDA packages together. Use one or the other. E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. E: Cannot use force/neigh with triclinic box This is a current limitation of the GPU implementation in LAMMPS. E: Cannot use force/hybrid_neigh with triclinic box Self-explanatory. E: No OpenMP support compiled in An OpenMP flag is set, but LAMMPS was not built with OpenMP support. E: GPU package does not (yet) work with atom_style template Self-explanatory. E: Cannot use pair hybrid with GPU neighbor list builds Neighbor list builds must be done on the CPU for this pair style. E: GPU split param must be positive for hybrid pair styles See the package gpu command. E: Cannot use neigh_modify exclude with GPU neighbor builds This is a current limitation of the GPU implementation in LAMMPS. */