71ed5c03ec
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3804 f3b2605a-c512-4ea7-a41b-209d697bcdaa
81 lines
2.6 KiB
C++
81 lines
2.6 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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/* ----------------------------------------------------------------------
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Contributing authors: Mike Brown (SNL), wmbrown@sandia.gov
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Peng Wang (Nvidia), penwang@nvidia.com
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Paul Crozier (SNL), pscrozi@sandia.gov
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------------------------------------------------------------------------- */
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#ifndef PAIR_GPU_CELL_H
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#define PAIR_GPU_CELL_H
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#ifdef WINDLL
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#include <windows.h>
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#endif
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#ifdef WINDLL
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#define EXTERN extern "C" __declspec(dllexport)
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#else
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#define EXTERN
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#endif
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using namespace std;
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static float kernelTime = 0.0;
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static int ncellx, ncelly, ncellz;
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static float *energy, *d_energy;
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static float3 *d_force, *f_temp, *v_temp, *d_virial;
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typedef struct {
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float3 *pos;
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unsigned int *idx;
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int *type;
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int *natom;
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} cell_list;
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static cell_list cell_list_gpu;
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__global__ void kernel_set_cell_list(unsigned int *cell_idx);
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__global__ void kernel_build_cell_list(float3 *cell_list,
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unsigned int *cell_idx,
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int *cell_type,
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int *cell_atom,
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float3 *pos,
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int *type,
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const int inum,
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const int nall);
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__global__ void kernel_test_rebuild(float3 *cell_list, int *cell_atom, int *rebuild);
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__global__ void kernel_copy_list(float3 *cell_list,
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unsigned int *cell_idx,
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int *cell_atom,
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float3 *pos);
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__global__ void kernel_test_overflow(int *cell_atom, int *overflow, const int ncell);
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void sortBlocks(unsigned int *keys, float3 *values1, int *values2, const int size);
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void init_cell_list_const(double cell_size, double skin,
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double *boxlo, double *boxhi);
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void init_cell_list(cell_list &cell_list_gpu,
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const int nall,
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const int ncell,
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const int buffer);
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void build_cell_list(double *atom_pos, int *atom_type,
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cell_list &cell_list_gpu,
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const int ncell, const int ncellx, const int ncelly, const int ncellz,
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const int buffer, const int inum, const int nall, const int ago);
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void clear_cell_list(cell_list &cell_list_gpu);
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#endif
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