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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 PAIR_CLASS
PairStyle(vashishta/gpu,PairVashishtaGPU)
#else
#ifndef LMP_PAIR_VASHISHTA_GPU_H
#define LMP_PAIR_VASHISHTA_GPU_H
#include "pair_vashishta.h"
namespace LAMMPS_NS {
class PairVashishtaGPU : public PairVashishta {
public:
PairVashishtaGPU(class LAMMPS *);
~PairVashishtaGPU();
void compute(int, int);
double init_one(int, int);
void init_style();
enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH };
protected:
void allocate();
int gpu_allocated;
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: Pair style vashishta/gpu requires atom IDs
This is a requirement to use this potential.
E: Pair style vashishta/gpu requires newton pair off
See the newton command. This is a restriction to use this potential.
E: All pair coeffs are not set
All pair coefficients must be set in the data file or by the
pair_coeff command before running a simulation.
*/