93 lines
2.3 KiB
C++
93 lines
2.3 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://lammps.sandia.gov/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef FIX_CLASS
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FixStyle(GPU,FixGPU)
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#else
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#ifndef LMP_FIX_GPU_H
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#define LMP_FIX_GPU_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixGPU : public Fix {
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public:
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FixGPU(class LAMMPS *, int, char **);
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~FixGPU();
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int setmask();
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void init();
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void setup(int);
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void min_setup(int);
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void post_force(int);
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void min_post_force(int);
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void post_force_respa(int, int, int);
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double memory_usage();
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double binsize(const double subx, const double suby,
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const double subz, const int nlocal, const double cut);
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private:
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int _gpu_mode;
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int _nlevels_respa;
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double _particle_split;
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double _binsize;
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: No OpenMP support compiled in
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An OpenMP flag is set, but LAMMPS was not built with
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OpenMP support.
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E: GPU package does not (yet) work with atom_style template
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Self-explanatory.
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E: Cannot use package gpu neigh yes with triclinic box
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This is a current restriction in LAMMPS.
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W: Using package gpu without any pair style defined
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Self-explanatory.
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E: Cannot use neigh_modify exclude with GPU neighbor builds
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This is a current limitation of the GPU implementation
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in LAMMPS.
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E: Too many neighbors on GPU. Use neigh_modify one to increase limit.
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The expected maximum number of neighbors is determined in the GPU package
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automatically. This error means the actual number of neighbors is exceeding
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the expected value. Use neigh_modify one command to increase GPU allocations
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(e.g. doubling this value doubles the GPU allocation).
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*/
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