Homec4science
Diffusion lammps (lammm-master-deprecated) Browse

lammps/src/GPU/pair_born_coul_long_gpu.h
1fac1d41fa78lammm-master-deprecated

Last Change
Raw File

pair_born_coul_long_gpu.h
View Options

/* ----------------------------------------------------------------------
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(born/coul/long/gpu,PairBornCoulLongGPU)
#else
#ifndef LMP_PAIR_BORN_COUL_LONG_GPU_H
#define LMP_PAIR_BORN_COUL_LONG_GPU_H
#include "pair_born_coul_long.h"
namespace LAMMPS_NS {
class PairBornCoulLongGPU : public PairBornCoulLong {
public:
PairBornCoulLongGPU(LAMMPS *lmp);
~PairBornCoulLongGPU();
void cpu_compute(int, int, int, int, int *, int *, int **);
void compute(int, int);
void init_style();
double memory_usage();
enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH };
private:
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 born/coul/long/gpu requires atom attribute q
The atom style defined does not have this attribute.
E: Cannot use newton pair with born/coul/long/gpu pair style
Self-explanatory.
E: Pair style is incompatible with KSpace style
If a pair style with a long-range Coulombic component is selected,
then a kspace style must also be used.
*/
c4science · Help