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neigh_list_kokkos.h
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Fri, May 31, 21:51

neigh_list_kokkos.h
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/* -*- c++ -*- ----------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifndef LMP_NEIGH_LIST_KOKKOS_H
#define LMP_NEIGH_LIST_KOKKOS_H
#include "pointers.h"
#include "neigh_list.h"
#include "kokkos_type.h"
namespace LAMMPS_NS {
enum{FULL=1u,HALFTHREAD=2u,HALF=4u,N2=8u};
class AtomNeighbors
{
public:
const int num_neighs;
KOKKOS_INLINE_FUNCTION
AtomNeighbors(int* const & firstneigh, const int & _num_neighs,
const int & stride):
num_neighs(_num_neighs), _firstneigh(firstneigh), _stride(stride) {};
KOKKOS_INLINE_FUNCTION
int& operator()(const int &i) const {
return _firstneigh[i*_stride];
}
private:
int* const _firstneigh;
const int _stride;
};
class AtomNeighborsConst
{
public:
const int* const _firstneigh;
const int num_neighs;
KOKKOS_INLINE_FUNCTION
AtomNeighborsConst(int* const & firstneigh, const int & _num_neighs,
const int & stride):
_firstneigh(firstneigh), num_neighs(_num_neighs), _stride(stride) {};
KOKKOS_INLINE_FUNCTION
const int& operator()(const int &i) const {
return _firstneigh[i*_stride];
}
private:
//const int* const _firstneigh;
const int _stride;
};
template<class Device>
class NeighListKokkos: public NeighList {
int _stride;
public:
int maxneighs;
void clean_copy();
void grow(int nmax);
typename ArrayTypes<Device>::t_neighbors_2d d_neighbors;
typename DAT::tdual_int_1d k_ilist; // local indices of I atoms
typename ArrayTypes<Device>::t_int_1d d_ilist;
typename ArrayTypes<Device>::t_int_1d d_numneigh; // # of J neighs for each I
NeighListKokkos(class LAMMPS *lmp):
NeighList(lmp) {_stride = 1; maxneighs = 16; kokkos = 1; maxatoms = 0;
execution_space = ExecutionSpaceFromDevice<Device>::space;
};
~NeighListKokkos() {numneigh = NULL; ilist = NULL;};
KOKKOS_INLINE_FUNCTION
AtomNeighbors get_neighbors(const int &i) const {
return AtomNeighbors(&d_neighbors(i,0),d_numneigh(i),
&d_neighbors(i,1)-&d_neighbors(i,0));
}
KOKKOS_INLINE_FUNCTION
AtomNeighborsConst get_neighbors_const(const int &i) const {
return AtomNeighborsConst(&d_neighbors(i,0),d_numneigh(i),
&d_neighbors(i,1)-&d_neighbors(i,0));
}
KOKKOS_INLINE_FUNCTION
int& num_neighs(const int & i) const {
return d_numneigh(i);
}
private:
int maxatoms;
};
}
#endif

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