pair_eam_gpu.h
No OneTemporary
Actions

Subscribers

None

File Metadata

	/* -- 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(eam/gpu,PairEAMGPU)

	#else

	#ifndef LMP_PAIR_EAM_GPU_H
	#define LMP_PAIR_EAM_GPU_H

	#include <stdio.h>
	#include "pair_eam.h"

	namespace LAMMPS_NS {

	class PairEAMGPU : public PairEAM {
	public:

	PairEAMGPU(class LAMMPS *);
	virtual ~PairEAMGPU();
	void compute(int, int);
	void init_style();
	double single(int, int, int, int, double, double, double, double &);
	double memory_usage();
	void extract(const char , int &) { return NULL; }

	int pack_forward_comm(int, int , double , int, int *);
	void unpack_forward_comm(int, int, double *);

	enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH };

	protected:
	int gpu_mode;
	double cpu_time;
	void *fp_pinned;
	bool fp_single;
	};

	}

	#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 eam/gpu pair style

	Self-explanatory.

	*/