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gb_gpu_memory.h
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Tue, Jul 2, 14:48

gb_gpu_memory.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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Mike Brown (SNL), wmbrown@sandia.gov
Peng Wang (Nvidia), penwang@nvidia.com
Paul Crozier (SNL), pscrozi@sandia.gov
------------------------------------------------------------------------- */
#ifndef GB_GPU_MEMORY_H
#define GB_GPU_MEMORY_H
#define MAX_GPU_THREADS 4
#include "lj_gpu_memory.h"
enum{SPHERE_SPHERE,SPHERE_ELLIPSE,ELLIPSE_SPHERE,ELLIPSE_ELLIPSE};
template <class numtyp, class acctyp>
class GB_GPU_Memory : public LJ_GPU_Memory<numtyp,acctyp> {
public:
GB_GPU_Memory();
~GB_GPU_Memory();
bool init(const int ij_size, const int ntypes, const double gamma,
const double upsilon, const double mu, double **host_shape,
double **host_well, double **host_cutsq, double **host_sigma,
double **host_epsilon, double *host_lshape, int **h_form,
double **host_lj1, double **host_lj2, double **host_lj3,
double **host_lj4, double **host_offset, double *host_special_lj,
const int max_nbors, const int nlocal, const int nall,
const bool force_d, const int me);
void resize_atom(const int nall, bool &success);
void resize_local(const int nlocal, const int max_nbors, bool &success);
void clear();
double host_memory_usage();
// ---------------------------- DATA ----------------------------
// ilist with particles sorted by type
NVC_HostI host_olist;
// --------------- Const Data for Atoms
NVC_ConstMatT shape, well;
NVC_ConstMatI form;
NVC_VecT lshape, gamma_upsilon_mu;
// --------------- Timing Stuff
NVCTimer time_kernel, time_gayberne, time_kernel2, time_gayberne2;
// True if we want to use fast GB-sphere or sphere-sphere calculations
bool multiple_forms;
int **host_form;
int last_ellipse;
int _max_nbors;
private:
};
#endif

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