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/***************************************************************************
neighbor_shared.h
-------------------
W. Michael Brown (ORNL)
Class for management of data shared by all neighbor lists
__________________________________________________________________________
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
email : brownw@ornl.gov
***************************************************************************/
#ifndef LAL_NEIGHBOR_SHARED_H
#define LAL_NEIGHBOR_SHARED_H
#if defined(USE_OPENCL)
#include "geryon/ocl_kernel.h"
#include "geryon/ocl_texture.h"
using namespace ucl_opencl;
#elif defined(USE_CUDART)
#include "geryon/nvc_kernel.h"
#include "geryon/nvc_texture.h"
using namespace ucl_cudart;
#elif defined(USE_HIP)
#include "geryon/hip_kernel.h"
#include "geryon/hip_texture.h"
using namespace ucl_hip;
#else
#include "geryon/nvd_kernel.h"
#include "geryon/nvd_texture.h"
using namespace ucl_cudadr;
#endif
namespace LAMMPS_AL {
class NeighborShared {
public:
NeighborShared() : _compiled(false) {}
~NeighborShared() { clear(); }
/// Free all memory on host and device
void clear();
/// Texture for cached position/type access with CUDA
UCL_Texture neigh_tex;
/// Use a heuristic to approximate best bin size assuming uniform density
/** This is only called by core LAMMPS for atom sort sizes **/
inline double update_cell_size(const double subx, const double suby,
const double subz, const int nlocal,
const double cut) {
if (_auto_cell_size==false || subz==0.0) return cut;
else {
_cell_size=best_cell_size(subx, suby, subz, nlocal, cut);
_cached_cell_size=true;
_cut_sort=cut;
return _cell_size;
}
}
/// Use a heuristic to approximate best bin size assuming uniform density
double best_cell_size(const double subx, const double suby,
const double subz, const int nlocal,
const double cut);
/// Current cutoff used for cell size determination
inline double neighbor_cutoff() { return _neighbor_cutoff; }
/// Current neighbor cell size
inline double cell_size() { return _cell_size; }
/// Return setting for auto cell size
inline bool auto_cell_size() { return _auto_cell_size; }
inline void setup_auto_cell_size(const bool autosize, const double cut,
const int simd_size) {
_auto_cell_size = autosize;
_cached_cell_size = false;
_neighbor_cutoff = cut;
_cell_size = cut;
_simd_size = simd_size;
if (_simd_size < 2) _auto_cell_size = false;
}
/// Compile kernels for neighbor lists
void compile_kernels(UCL_Device &dev, const int gpu_nbor,
const std::string &flags);
// ----------------------------- Kernels
UCL_Program *nbor_program, *build_program;
UCL_Kernel k_nbor, k_cell_id, k_cell_counts, k_build_nbor;
UCL_Kernel k_transpose, k_special;
private:
bool _compiled;
int _gpu_nbor;
bool _auto_cell_size, _cached_cell_size;
double _neighbor_cutoff, _cell_size, _simd_size, _cut_sort;
};
}
#endif
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