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lammps/src/GPU/fix_gpu.h
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fix_gpu.h
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/* -*- 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 GPU package with USER-CUDA package 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: 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 package gpu neigh yes with triclinic box
This is a current restriction in LAMMPS.
W: Using package gpu without any pair style defined
Self-explanatory.
E: Cannot use neigh_modify exclude with GPU neighbor builds
This is a current limitation of the GPU implementation
in LAMMPS.
*/
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