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pair_eam_gpu.h
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Thu, Sep 5, 09:56
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rLAMMPS lammps
pair_eam_gpu.h
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/* ----------------------------------------------------------------------
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
();
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.
*/
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