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lammps/src/KOKKOS/kokkos_type.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_LMPTYPE_KOKKOS_H
#define LMP_LMPTYPE_KOKKOS_H
#include <Kokkos_Core.hpp>
#include <Kokkos_DualView.hpp>
#include <impl/Kokkos_Timer.hpp>
#include <Kokkos_Vectorization.hpp>
#if defined(KOKKOS_HAVE_CXX11)
#undef ISFINITE
#define ISFINITE(x) std::isfinite(x)
#endif
#define MAX_TYPES_STACKPARAMS 12
#define NeighClusterSize 8
struct lmp_float3 {
float x,y,z;
KOKKOS_INLINE_FUNCTION
lmp_float3():x(0.0f),y(0.0f),z(0.0f) {}
KOKKOS_INLINE_FUNCTION
void operator += (const lmp_float3& tmp) {
x+=tmp.x;
y+=tmp.y;
z+=tmp.z;
}
KOKKOS_INLINE_FUNCTION
void operator += (const lmp_float3& tmp) volatile {
x+=tmp.x;
y+=tmp.y;
z+=tmp.z;
}
KOKKOS_INLINE_FUNCTION
void operator = (const lmp_float3& tmp) {
x=tmp.x;
y=tmp.y;
z=tmp.z;
}
KOKKOS_INLINE_FUNCTION
void operator = (const lmp_float3& tmp) volatile {
x=tmp.x;
y=tmp.y;
z=tmp.z;
}
};
struct lmp_double3 {
double x,y,z;
KOKKOS_INLINE_FUNCTION
lmp_double3():x(0.0),y(0.0),z(0.0) {}
KOKKOS_INLINE_FUNCTION
void operator += (const lmp_double3& tmp) {
x+=tmp.x;
y+=tmp.y;
z+=tmp.z;
}
KOKKOS_INLINE_FUNCTION
void operator += (const lmp_double3& tmp) volatile {
x+=tmp.x;
y+=tmp.y;
z+=tmp.z;
}
KOKKOS_INLINE_FUNCTION
void operator = (const lmp_double3& tmp) {
x=tmp.x;
y=tmp.y;
z=tmp.z;
}
KOKKOS_INLINE_FUNCTION
void operator = (const lmp_double3& tmp) volatile {
x=tmp.x;
y=tmp.y;
z=tmp.z;
}
};
#if !defined(__CUDACC__) && !defined(__VECTOR_TYPES_H__)
struct double2 {
double x, y;
};
struct float2 {
float x, y;
};
struct float4 {
float x, y, z, w;
};
struct double4 {
double x, y, z, w;
};
#endif
// set LMPHostype and LMPDeviceType from Kokkos Default Types
typedef Kokkos::DefaultExecutionSpace LMPDeviceType;
typedef Kokkos::HostSpace::execution_space LMPHostType;
// set ExecutionSpace stuct with variable "space"
template<class Device>
struct ExecutionSpaceFromDevice;
template<>
struct ExecutionSpaceFromDevice<LMPHostType> {
static const LAMMPS_NS::ExecutionSpace space = LAMMPS_NS::Host;
};
#ifdef KOKKOS_HAVE_CUDA
template<>
struct ExecutionSpaceFromDevice<Kokkos::Cuda> {
static const LAMMPS_NS::ExecutionSpace space = LAMMPS_NS::Device;
};
#endif
// define precision
// handle global precision, force, energy, positions, kspace separately
#ifndef PRECISION
#define PRECISION 2
#endif
#if PRECISION==1
typedef float LMP_FLOAT;
typedef float2 LMP_FLOAT2;
typedef lmp_float3 LMP_FLOAT3;
typedef float4 LMP_FLOAT4;
#else
typedef double LMP_FLOAT;
typedef double2 LMP_FLOAT2;
typedef lmp_double3 LMP_FLOAT3;
typedef double4 LMP_FLOAT4;
#endif
#ifndef PREC_FORCE
#define PREC_FORCE PRECISION
#endif
#if PREC_FORCE==1
typedef float F_FLOAT;
typedef float2 F_FLOAT2;
typedef lmp_float3 F_FLOAT3;
typedef float4 F_FLOAT4;
#else
typedef double F_FLOAT;
typedef double2 F_FLOAT2;
typedef lmp_double3 F_FLOAT3;
typedef double4 F_FLOAT4;
#endif
#ifndef PREC_ENERGY
#define PREC_ENERGY PRECISION
#endif
#if PREC_ENERGY==1
typedef float E_FLOAT;
typedef float2 E_FLOAT2;
typedef float4 E_FLOAT4;
#else
typedef double E_FLOAT;
typedef double2 E_FLOAT2;
typedef double4 E_FLOAT4;
#endif
struct s_EV_FLOAT {
E_FLOAT evdwl;
E_FLOAT ecoul;
E_FLOAT v[6];
KOKKOS_INLINE_FUNCTION
s_EV_FLOAT() {
evdwl = 0;
ecoul = 0;
v[0] = 0; v[1] = 0; v[2] = 0;
v[3] = 0; v[4] = 0; v[5] = 0;
}
KOKKOS_INLINE_FUNCTION
void operator+=(const s_EV_FLOAT &rhs) {
evdwl += rhs.evdwl;
ecoul += rhs.ecoul;
v[0] += rhs.v[0];
v[1] += rhs.v[1];
v[2] += rhs.v[2];
v[3] += rhs.v[3];
v[4] += rhs.v[4];
v[5] += rhs.v[5];
}
KOKKOS_INLINE_FUNCTION
void operator+=(const volatile s_EV_FLOAT &rhs) volatile {
evdwl += rhs.evdwl;
ecoul += rhs.ecoul;
v[0] += rhs.v[0];
v[1] += rhs.v[1];
v[2] += rhs.v[2];
v[3] += rhs.v[3];
v[4] += rhs.v[4];
v[5] += rhs.v[5];
}
};
typedef struct s_EV_FLOAT EV_FLOAT;
#ifndef PREC_POS
#define PREC_POS PRECISION
#endif
#if PREC_POS==1
typedef float X_FLOAT;
typedef float2 X_FLOAT2;
typedef float4 X_FLOAT4;
#else
typedef double X_FLOAT;
typedef double2 X_FLOAT2;
typedef double4 X_FLOAT4;
#endif
#ifndef PREC_VELOCITIES
#define PREC_VELOCITIES PRECISION
#endif
#if PREC_VELOCITIES==1
typedef float V_FLOAT;
typedef float2 V_FLOAT2;
typedef float4 V_FLOAT4;
#else
typedef double V_FLOAT;
typedef double2 V_FLOAT2;
typedef double4 V_FLOAT4;
#endif
#if PREC_KSPACE==1
typedef float K_FLOAT;
typedef float2 K_FLOAT2;
typedef float4 K_FLOAT4;
#else
typedef double K_FLOAT;
typedef double2 K_FLOAT2;
typedef double4 K_FLOAT4;
#endif
// ------------------------------------------------------------------------
// LAMMPS types
template <class DeviceType>
struct ArrayTypes;
template <>
struct ArrayTypes<LMPDeviceType> {
// scalar types
typedef Kokkos::
DualView<int, LMPDeviceType::array_layout, LMPDeviceType> tdual_int_scalar;
typedef tdual_int_scalar::t_dev t_int_scalar;
typedef tdual_int_scalar::t_dev_const t_int_scalar_const;
typedef tdual_int_scalar::t_dev_um t_int_scalar_um;
typedef tdual_int_scalar::t_dev_const_um t_int_scalar_const_um;
typedef Kokkos::
DualView<LMP_FLOAT, LMPDeviceType::array_layout, LMPDeviceType>
tdual_float_scalar;
typedef tdual_float_scalar::t_dev t_float_scalar;
typedef tdual_float_scalar::t_dev_const t_float_scalar_const;
typedef tdual_float_scalar::t_dev_um t_float_scalar_um;
typedef tdual_float_scalar::t_dev_const_um t_float_scalar_const_um;
// generic array types
typedef Kokkos::
DualView<int*, LMPDeviceType::array_layout, LMPDeviceType> tdual_int_1d;
typedef tdual_int_1d::t_dev t_int_1d;
typedef tdual_int_1d::t_dev_const t_int_1d_const;
typedef tdual_int_1d::t_dev_um t_int_1d_um;
typedef tdual_int_1d::t_dev_const_um t_int_1d_const_um;
typedef tdual_int_1d::t_dev_const_randomread t_int_1d_randomread;
typedef Kokkos::
DualView<int*[3], Kokkos::LayoutRight, LMPDeviceType> tdual_int_1d_3;
typedef tdual_int_1d_3::t_dev t_int_1d_3;
typedef tdual_int_1d_3::t_dev_const t_int_1d_3_const;
typedef tdual_int_1d_3::t_dev_um t_int_1d_3_um;
typedef tdual_int_1d_3::t_dev_const_um t_int_1d_3_const_um;
typedef tdual_int_1d_3::t_dev_const_randomread t_int_1d_3_randomread;
typedef Kokkos::
DualView<int**, Kokkos::LayoutRight, LMPDeviceType> tdual_int_2d;
typedef tdual_int_2d::t_dev t_int_2d;
typedef tdual_int_2d::t_dev_const t_int_2d_const;
typedef tdual_int_2d::t_dev_um t_int_2d_um;
typedef tdual_int_2d::t_dev_const_um t_int_2d_const_um;
typedef tdual_int_2d::t_dev_const_randomread t_int_2d_randomread;
typedef Kokkos::
DualView<LAMMPS_NS::tagint*, LMPDeviceType::array_layout, LMPDeviceType>
tdual_tagint_1d;
typedef tdual_tagint_1d::t_dev t_tagint_1d;
typedef tdual_tagint_1d::t_dev_const t_tagint_1d_const;
typedef tdual_tagint_1d::t_dev_um t_tagint_1d_um;
typedef tdual_tagint_1d::t_dev_const_um t_tagint_1d_const_um;
typedef tdual_tagint_1d::t_dev_const_randomread t_tagint_1d_randomread;
typedef Kokkos::
DualView<LAMMPS_NS::tagint**, Kokkos::LayoutRight, LMPDeviceType>
tdual_tagint_2d;
typedef tdual_tagint_2d::t_dev t_tagint_2d;
typedef tdual_tagint_2d::t_dev_const t_tagint_2d_const;
typedef tdual_tagint_2d::t_dev_um t_tagint_2d_um;
typedef tdual_tagint_2d::t_dev_const_um t_tagint_2d_const_um;
typedef tdual_tagint_2d::t_dev_const_randomread t_tagint_2d_randomread;
typedef Kokkos::
DualView<LAMMPS_NS::imageint*, LMPDeviceType::array_layout, LMPDeviceType>
tdual_imageint_1d;
typedef tdual_imageint_1d::t_dev t_imageint_1d;
typedef tdual_imageint_1d::t_dev_const t_imageint_1d_const;
typedef tdual_imageint_1d::t_dev_um t_imageint_1d_um;
typedef tdual_imageint_1d::t_dev_const_um t_imageint_1d_const_um;
typedef tdual_imageint_1d::t_dev_const_randomread t_imageint_1d_randomread;
typedef Kokkos::
DualView<double*, Kokkos::LayoutRight, LMPDeviceType> tdual_double_1d;
typedef tdual_double_1d::t_dev t_double_1d;
typedef tdual_double_1d::t_dev_const t_double_1d_const;
typedef tdual_double_1d::t_dev_um t_double_1d_um;
typedef tdual_double_1d::t_dev_const_um t_double_1d_const_um;
typedef tdual_double_1d::t_dev_const_randomread t_double_1d_randomread;
typedef Kokkos::
DualView<double**, Kokkos::LayoutRight, LMPDeviceType> tdual_double_2d;
typedef tdual_double_2d::t_dev t_double_2d;
typedef tdual_double_2d::t_dev_const t_double_2d_const;
typedef tdual_double_2d::t_dev_um t_double_2d_um;
typedef tdual_double_2d::t_dev_const_um t_double_2d_const_um;
typedef tdual_double_2d::t_dev_const_randomread t_double_2d_randomread;
// 1d float array n
typedef Kokkos::DualView<LMP_FLOAT*, LMPDeviceType::array_layout, LMPDeviceType> tdual_float_1d;
typedef tdual_float_1d::t_dev t_float_1d;
typedef tdual_float_1d::t_dev_const t_float_1d_const;
typedef tdual_float_1d::t_dev_um t_float_1d_um;
typedef tdual_float_1d::t_dev_const_um t_float_1d_const_um;
typedef tdual_float_1d::t_dev_const_randomread t_float_1d_randomread;
//2d float array n
typedef Kokkos::DualView<LMP_FLOAT**, Kokkos::LayoutRight, LMPDeviceType> tdual_float_2d;
typedef tdual_float_2d::t_dev t_float_2d;
typedef tdual_float_2d::t_dev_const t_float_2d_const;
typedef tdual_float_2d::t_dev_um t_float_2d_um;
typedef tdual_float_2d::t_dev_const_um t_float_2d_const_um;
typedef tdual_float_2d::t_dev_const_randomread t_float_2d_randomread;
//Position Types
//1d X_FLOAT array n
typedef Kokkos::DualView<X_FLOAT*, LMPDeviceType::array_layout, LMPDeviceType> tdual_xfloat_1d;
typedef tdual_xfloat_1d::t_dev t_xfloat_1d;
typedef tdual_xfloat_1d::t_dev_const t_xfloat_1d_const;
typedef tdual_xfloat_1d::t_dev_um t_xfloat_1d_um;
typedef tdual_xfloat_1d::t_dev_const_um t_xfloat_1d_const_um;
typedef tdual_xfloat_1d::t_dev_const_randomread t_xfloat_1d_randomread;
//2d X_FLOAT array n*m
typedef Kokkos::DualView<X_FLOAT**, Kokkos::LayoutRight, LMPDeviceType> tdual_xfloat_2d;
typedef tdual_xfloat_2d::t_dev t_xfloat_2d;
typedef tdual_xfloat_2d::t_dev_const t_xfloat_2d_const;
typedef tdual_xfloat_2d::t_dev_um t_xfloat_2d_um;
typedef tdual_xfloat_2d::t_dev_const_um t_xfloat_2d_const_um;
typedef tdual_xfloat_2d::t_dev_const_randomread t_xfloat_2d_randomread;
//2d X_FLOAT array n*4
#ifdef LMP_KOKKOS_NO_LEGACY
typedef Kokkos::DualView<X_FLOAT*[3], Kokkos::LayoutLeft, LMPDeviceType> tdual_x_array;
#else
typedef Kokkos::DualView<X_FLOAT*[3], Kokkos::LayoutRight, LMPDeviceType> tdual_x_array;
#endif
typedef tdual_x_array::t_dev t_x_array;
typedef tdual_x_array::t_dev_const t_x_array_const;
typedef tdual_x_array::t_dev_um t_x_array_um;
typedef tdual_x_array::t_dev_const_um t_x_array_const_um;
typedef tdual_x_array::t_dev_const_randomread t_x_array_randomread;
//Velocity Types
//1d V_FLOAT array n
typedef Kokkos::DualView<V_FLOAT*, LMPDeviceType::array_layout, LMPDeviceType> tdual_vfloat_1d;
typedef tdual_vfloat_1d::t_dev t_vfloat_1d;
typedef tdual_vfloat_1d::t_dev_const t_vfloat_1d_const;
typedef tdual_vfloat_1d::t_dev_um t_vfloat_1d_um;
typedef tdual_vfloat_1d::t_dev_const_um t_vfloat_1d_const_um;
typedef tdual_vfloat_1d::t_dev_const_randomread t_vfloat_1d_randomread;
//2d V_FLOAT array n*m
typedef Kokkos::DualView<V_FLOAT**, Kokkos::LayoutRight, LMPDeviceType> tdual_vfloat_2d;
typedef tdual_vfloat_2d::t_dev t_vfloat_2d;
typedef tdual_vfloat_2d::t_dev_const t_vfloat_2d_const;
typedef tdual_vfloat_2d::t_dev_um t_vfloat_2d_um;
typedef tdual_vfloat_2d::t_dev_const_um t_vfloat_2d_const_um;
typedef tdual_vfloat_2d::t_dev_const_randomread t_vfloat_2d_randomread;
//2d V_FLOAT array n*3
typedef Kokkos::DualView<V_FLOAT*[3], Kokkos::LayoutRight, LMPDeviceType> tdual_v_array;
//typedef Kokkos::DualView<V_FLOAT*[3], LMPDeviceType::array_layout, LMPDeviceType> tdual_v_array;
typedef tdual_v_array::t_dev t_v_array;
typedef tdual_v_array::t_dev_const t_v_array_const;
typedef tdual_v_array::t_dev_um t_v_array_um;
typedef tdual_v_array::t_dev_const_um t_v_array_const_um;
typedef tdual_v_array::t_dev_const_randomread t_v_array_randomread;
//Force Types
//1d F_FLOAT array n
typedef Kokkos::DualView<F_FLOAT*, LMPDeviceType::array_layout, LMPDeviceType> tdual_ffloat_1d;
typedef tdual_ffloat_1d::t_dev t_ffloat_1d;
typedef tdual_ffloat_1d::t_dev_const t_ffloat_1d_const;
typedef tdual_ffloat_1d::t_dev_um t_ffloat_1d_um;
typedef tdual_ffloat_1d::t_dev_const_um t_ffloat_1d_const_um;
typedef tdual_ffloat_1d::t_dev_const_randomread t_ffloat_1d_randomread;
//2d F_FLOAT array n*m
typedef Kokkos::DualView<F_FLOAT**, Kokkos::LayoutRight, LMPDeviceType> tdual_ffloat_2d;
typedef tdual_ffloat_2d::t_dev t_ffloat_2d;
typedef tdual_ffloat_2d::t_dev_const t_ffloat_2d_const;
typedef tdual_ffloat_2d::t_dev_um t_ffloat_2d_um;
typedef tdual_ffloat_2d::t_dev_const_um t_ffloat_2d_const_um;
typedef tdual_ffloat_2d::t_dev_const_randomread t_ffloat_2d_randomread;
//2d F_FLOAT array n*3
typedef Kokkos::DualView<F_FLOAT*[3], Kokkos::LayoutRight, LMPDeviceType> tdual_f_array;
//typedef Kokkos::DualView<F_FLOAT*[3], LMPDeviceType::array_layout, LMPDeviceType> tdual_f_array;
typedef tdual_f_array::t_dev t_f_array;
typedef tdual_f_array::t_dev_const t_f_array_const;
typedef tdual_f_array::t_dev_um t_f_array_um;
typedef tdual_f_array::t_dev_const_um t_f_array_const_um;
typedef tdual_f_array::t_dev_const_randomread t_f_array_randomread;
//2d F_FLOAT array n*6 (for virial)
typedef Kokkos::DualView<F_FLOAT*[6], Kokkos::LayoutRight, LMPDeviceType> tdual_virial_array;
typedef tdual_virial_array::t_dev t_virial_array;
typedef tdual_virial_array::t_dev_const t_virial_array_const;
typedef tdual_virial_array::t_dev_um t_virial_array_um;
typedef tdual_virial_array::t_dev_const_um t_virial_array_const_um;
typedef tdual_virial_array::t_dev_const_randomread t_virial_array_randomread;
//Energy Types
//1d E_FLOAT array n
typedef Kokkos::DualView<E_FLOAT*, LMPDeviceType::array_layout, LMPDeviceType> tdual_efloat_1d;
typedef tdual_efloat_1d::t_dev t_efloat_1d;
typedef tdual_efloat_1d::t_dev_const t_efloat_1d_const;
typedef tdual_efloat_1d::t_dev_um t_efloat_1d_um;
typedef tdual_efloat_1d::t_dev_const_um t_efloat_1d_const_um;
typedef tdual_efloat_1d::t_dev_const_randomread t_efloat_1d_randomread;
//2d E_FLOAT array n*m
typedef Kokkos::DualView<E_FLOAT**, Kokkos::LayoutRight, LMPDeviceType> tdual_efloat_2d;
typedef tdual_efloat_2d::t_dev t_efloat_2d;
typedef tdual_efloat_2d::t_dev_const t_efloat_2d_const;
typedef tdual_efloat_2d::t_dev_um t_efloat_2d_um;
typedef tdual_efloat_2d::t_dev_const_um t_efloat_2d_const_um;
typedef tdual_efloat_2d::t_dev_const_randomread t_efloat_2d_randomread;
//2d E_FLOAT array n*3
typedef Kokkos::DualView<E_FLOAT*[3], Kokkos::LayoutRight, LMPDeviceType> tdual_e_array;
typedef tdual_e_array::t_dev t_e_array;
typedef tdual_e_array::t_dev_const t_e_array_const;
typedef tdual_e_array::t_dev_um t_e_array_um;
typedef tdual_e_array::t_dev_const_um t_e_array_const_um;
typedef tdual_e_array::t_dev_const_randomread t_e_array_randomread;
//Neighbor Types
typedef Kokkos::DualView<int**, LMPDeviceType::array_layout, LMPDeviceType> tdual_neighbors_2d;
typedef tdual_neighbors_2d::t_dev t_neighbors_2d;
typedef tdual_neighbors_2d::t_dev_const t_neighbors_2d_const;
typedef tdual_neighbors_2d::t_dev_um t_neighbors_2d_um;
typedef tdual_neighbors_2d::t_dev_const_um t_neighbors_2d_const_um;
typedef tdual_neighbors_2d::t_dev_const_randomread t_neighbors_2d_randomread;
};
#ifdef KOKKOS_HAVE_CUDA
template <>
struct ArrayTypes<LMPHostType> {
//Scalar Types
typedef Kokkos::DualView<int, LMPDeviceType::array_layout, LMPDeviceType> tdual_int_scalar;
typedef tdual_int_scalar::t_host t_int_scalar;
typedef tdual_int_scalar::t_host_const t_int_scalar_const;
typedef tdual_int_scalar::t_host_um t_int_scalar_um;
typedef tdual_int_scalar::t_host_const_um t_int_scalar_const_um;
typedef Kokkos::DualView<LMP_FLOAT, LMPDeviceType::array_layout, LMPDeviceType> tdual_float_scalar;
typedef tdual_float_scalar::t_host t_float_scalar;
typedef tdual_float_scalar::t_host_const t_float_scalar_const;
typedef tdual_float_scalar::t_host_um t_float_scalar_um;
typedef tdual_float_scalar::t_host_const_um t_float_scalar_const_um;
//Generic ArrayTypes
typedef Kokkos::DualView<int*, LMPDeviceType::array_layout, LMPDeviceType> tdual_int_1d;
typedef tdual_int_1d::t_host t_int_1d;
typedef tdual_int_1d::t_host_const t_int_1d_const;
typedef tdual_int_1d::t_host_um t_int_1d_um;
typedef tdual_int_1d::t_host_const_um t_int_1d_const_um;
typedef tdual_int_1d::t_host_const_randomread t_int_1d_randomread;
typedef Kokkos::DualView<int*[3], Kokkos::LayoutRight, LMPDeviceType> tdual_int_1d_3;
typedef tdual_int_1d_3::t_host t_int_1d_3;
typedef tdual_int_1d_3::t_host_const t_int_1d_3_const;
typedef tdual_int_1d_3::t_host_um t_int_1d_3_um;
typedef tdual_int_1d_3::t_host_const_um t_int_1d_3_const_um;
typedef tdual_int_1d_3::t_host_const_randomread t_int_1d_3_randomread;
typedef Kokkos::DualView<int**, Kokkos::LayoutRight, LMPDeviceType> tdual_int_2d;
typedef tdual_int_2d::t_host t_int_2d;
typedef tdual_int_2d::t_host_const t_int_2d_const;
typedef tdual_int_2d::t_host_um t_int_2d_um;
typedef tdual_int_2d::t_host_const_um t_int_2d_const_um;
typedef tdual_int_2d::t_host_const_randomread t_int_2d_randomread;
typedef Kokkos::DualView<LAMMPS_NS::tagint*, LMPDeviceType::array_layout, LMPDeviceType> tdual_tagint_1d;
typedef tdual_tagint_1d::t_host t_tagint_1d;
typedef tdual_tagint_1d::t_host_const t_tagint_1d_const;
typedef tdual_tagint_1d::t_host_um t_tagint_1d_um;
typedef tdual_tagint_1d::t_host_const_um t_tagint_1d_const_um;
typedef tdual_tagint_1d::t_host_const_randomread t_tagint_1d_randomread;
typedef Kokkos::
DualView<LAMMPS_NS::tagint**, Kokkos::LayoutRight, LMPDeviceType>
tdual_tagint_2d;
typedef tdual_tagint_2d::t_host t_tagint_2d;
typedef tdual_tagint_2d::t_host_const t_tagint_2d_const;
typedef tdual_tagint_2d::t_host_um t_tagint_2d_um;
typedef tdual_tagint_2d::t_host_const_um t_tagint_2d_const_um;
typedef tdual_tagint_2d::t_host_const_randomread t_tagint_2d_randomread;
typedef Kokkos::
DualView<LAMMPS_NS::imageint*, LMPDeviceType::array_layout, LMPDeviceType>
tdual_imageint_1d;
typedef tdual_imageint_1d::t_host t_imageint_1d;
typedef tdual_imageint_1d::t_host_const t_imageint_1d_const;
typedef tdual_imageint_1d::t_host_um t_imageint_1d_um;
typedef tdual_imageint_1d::t_host_const_um t_imageint_1d_const_um;
typedef tdual_imageint_1d::t_host_const_randomread t_imageint_1d_randomread;
typedef Kokkos::
DualView<double*, Kokkos::LayoutRight, LMPDeviceType> tdual_double_1d;
typedef tdual_double_1d::t_host t_double_1d;
typedef tdual_double_1d::t_host_const t_double_1d_const;
typedef tdual_double_1d::t_host_um t_double_1d_um;
typedef tdual_double_1d::t_host_const_um t_double_1d_const_um;
typedef tdual_double_1d::t_host_const_randomread t_double_1d_randomread;
typedef Kokkos::
DualView<double**, Kokkos::LayoutRight, LMPDeviceType> tdual_double_2d;
typedef tdual_double_2d::t_host t_double_2d;
typedef tdual_double_2d::t_host_const t_double_2d_const;
typedef tdual_double_2d::t_host_um t_double_2d_um;
typedef tdual_double_2d::t_host_const_um t_double_2d_const_um;
typedef tdual_double_2d::t_host_const_randomread t_double_2d_randomread;
//1d float array n
typedef Kokkos::DualView<LMP_FLOAT*, LMPDeviceType::array_layout, LMPDeviceType> tdual_float_1d;
typedef tdual_float_1d::t_host t_float_1d;
typedef tdual_float_1d::t_host_const t_float_1d_const;
typedef tdual_float_1d::t_host_um t_float_1d_um;
typedef tdual_float_1d::t_host_const_um t_float_1d_const_um;
typedef tdual_float_1d::t_host_const_randomread t_float_1d_randomread;
//2d float array n
typedef Kokkos::DualView<LMP_FLOAT**, Kokkos::LayoutRight, LMPDeviceType> tdual_float_2d;
typedef tdual_float_2d::t_host t_float_2d;
typedef tdual_float_2d::t_host_const t_float_2d_const;
typedef tdual_float_2d::t_host_um t_float_2d_um;
typedef tdual_float_2d::t_host_const_um t_float_2d_const_um;
typedef tdual_float_2d::t_host_const_randomread t_float_2d_randomread;
//Position Types
//1d X_FLOAT array n
typedef Kokkos::DualView<X_FLOAT*, LMPDeviceType::array_layout, LMPDeviceType> tdual_xfloat_1d;
typedef tdual_xfloat_1d::t_host t_xfloat_1d;
typedef tdual_xfloat_1d::t_host_const t_xfloat_1d_const;
typedef tdual_xfloat_1d::t_host_um t_xfloat_1d_um;
typedef tdual_xfloat_1d::t_host_const_um t_xfloat_1d_const_um;
typedef tdual_xfloat_1d::t_host_const_randomread t_xfloat_1d_randomread;
//2d X_FLOAT array n*m
typedef Kokkos::DualView<X_FLOAT**, Kokkos::LayoutRight, LMPDeviceType> tdual_xfloat_2d;
typedef tdual_xfloat_2d::t_host t_xfloat_2d;
typedef tdual_xfloat_2d::t_host_const t_xfloat_2d_const;
typedef tdual_xfloat_2d::t_host_um t_xfloat_2d_um;
typedef tdual_xfloat_2d::t_host_const_um t_xfloat_2d_const_um;
typedef tdual_xfloat_2d::t_host_const_randomread t_xfloat_2d_randomread;
//2d X_FLOAT array n*3
typedef Kokkos::DualView<X_FLOAT*[3], Kokkos::LayoutRight, LMPDeviceType> tdual_x_array;
typedef tdual_x_array::t_host t_x_array;
typedef tdual_x_array::t_host_const t_x_array_const;
typedef tdual_x_array::t_host_um t_x_array_um;
typedef tdual_x_array::t_host_const_um t_x_array_const_um;
typedef tdual_x_array::t_host_const_randomread t_x_array_randomread;
//Velocity Types
//1d V_FLOAT array n
typedef Kokkos::DualView<V_FLOAT*, LMPDeviceType::array_layout, LMPDeviceType> tdual_vfloat_1d;
typedef tdual_vfloat_1d::t_host t_vfloat_1d;
typedef tdual_vfloat_1d::t_host_const t_vfloat_1d_const;
typedef tdual_vfloat_1d::t_host_um t_vfloat_1d_um;
typedef tdual_vfloat_1d::t_host_const_um t_vfloat_1d_const_um;
typedef tdual_vfloat_1d::t_host_const_randomread t_vfloat_1d_randomread;
//2d V_FLOAT array n*m
typedef Kokkos::DualView<V_FLOAT**, Kokkos::LayoutRight, LMPDeviceType> tdual_vfloat_2d;
typedef tdual_vfloat_2d::t_host t_vfloat_2d;
typedef tdual_vfloat_2d::t_host_const t_vfloat_2d_const;
typedef tdual_vfloat_2d::t_host_um t_vfloat_2d_um;
typedef tdual_vfloat_2d::t_host_const_um t_vfloat_2d_const_um;
typedef tdual_vfloat_2d::t_host_const_randomread t_vfloat_2d_randomread;
//2d V_FLOAT array n*3
typedef Kokkos::DualView<V_FLOAT*[3], Kokkos::LayoutRight, LMPDeviceType> tdual_v_array;
//typedef Kokkos::DualView<V_FLOAT*[3], LMPDeviceType::array_layout, LMPDeviceType> tdual_v_array;
typedef tdual_v_array::t_host t_v_array;
typedef tdual_v_array::t_host_const t_v_array_const;
typedef tdual_v_array::t_host_um t_v_array_um;
typedef tdual_v_array::t_host_const_um t_v_array_const_um;
typedef tdual_v_array::t_host_const_randomread t_v_array_randomread;
//Force Types
//1d F_FLOAT array n
typedef Kokkos::DualView<F_FLOAT*, LMPDeviceType::array_layout, LMPDeviceType> tdual_ffloat_1d;
typedef tdual_ffloat_1d::t_host t_ffloat_1d;
typedef tdual_ffloat_1d::t_host_const t_ffloat_1d_const;
typedef tdual_ffloat_1d::t_host_um t_ffloat_1d_um;
typedef tdual_ffloat_1d::t_host_const_um t_ffloat_1d_const_um;
typedef tdual_ffloat_1d::t_host_const_randomread t_ffloat_1d_randomread;
//2d F_FLOAT array n*m
typedef Kokkos::DualView<F_FLOAT**, Kokkos::LayoutRight, LMPDeviceType> tdual_ffloat_2d;
typedef tdual_ffloat_2d::t_host t_ffloat_2d;
typedef tdual_ffloat_2d::t_host_const t_ffloat_2d_const;
typedef tdual_ffloat_2d::t_host_um t_ffloat_2d_um;
typedef tdual_ffloat_2d::t_host_const_um t_ffloat_2d_const_um;
typedef tdual_ffloat_2d::t_host_const_randomread t_ffloat_2d_randomread;
//2d F_FLOAT array n*3
typedef Kokkos::DualView<F_FLOAT*[3], Kokkos::LayoutRight, LMPDeviceType> tdual_f_array;
//typedef Kokkos::DualView<F_FLOAT*[3], LMPDeviceType::array_layout, LMPDeviceType> tdual_f_array;
typedef tdual_f_array::t_host t_f_array;
typedef tdual_f_array::t_host_const t_f_array_const;
typedef tdual_f_array::t_host_um t_f_array_um;
typedef tdual_f_array::t_host_const_um t_f_array_const_um;
typedef tdual_f_array::t_host_const_randomread t_f_array_randomread;
//2d F_FLOAT array n*6 (for virial)
typedef Kokkos::DualView<F_FLOAT*[6], Kokkos::LayoutRight, LMPDeviceType> tdual_virial_array;
typedef tdual_virial_array::t_host t_virial_array;
typedef tdual_virial_array::t_host_const t_virial_array_const;
typedef tdual_virial_array::t_host_um t_virial_array_um;
typedef tdual_virial_array::t_host_const_um t_virial_array_const_um;
typedef tdual_virial_array::t_host_const_randomread t_virial_array_randomread;
//Energy Types
//1d E_FLOAT array n
typedef Kokkos::DualView<E_FLOAT*, LMPDeviceType::array_layout, LMPDeviceType> tdual_efloat_1d;
typedef tdual_efloat_1d::t_host t_efloat_1d;
typedef tdual_efloat_1d::t_host_const t_efloat_1d_const;
typedef tdual_efloat_1d::t_host_um t_efloat_1d_um;
typedef tdual_efloat_1d::t_host_const_um t_efloat_1d_const_um;
typedef tdual_efloat_1d::t_host_const_randomread t_efloat_1d_randomread;
//2d E_FLOAT array n*m
typedef Kokkos::DualView<E_FLOAT**, Kokkos::LayoutRight, LMPDeviceType> tdual_efloat_2d;
typedef tdual_efloat_2d::t_host t_efloat_2d;
typedef tdual_efloat_2d::t_host_const t_efloat_2d_const;
typedef tdual_efloat_2d::t_host_um t_efloat_2d_um;
typedef tdual_efloat_2d::t_host_const_um t_efloat_2d_const_um;
typedef tdual_efloat_2d::t_host_const_randomread t_efloat_2d_randomread;
//2d E_FLOAT array n*3
typedef Kokkos::DualView<E_FLOAT*[3], Kokkos::LayoutRight, LMPDeviceType> tdual_e_array;
typedef tdual_e_array::t_host t_e_array;
typedef tdual_e_array::t_host_const t_e_array_const;
typedef tdual_e_array::t_host_um t_e_array_um;
typedef tdual_e_array::t_host_const_um t_e_array_const_um;
typedef tdual_e_array::t_host_const_randomread t_e_array_randomread;
//Neighbor Types
typedef Kokkos::DualView<int**, LMPDeviceType::array_layout, LMPDeviceType> tdual_neighbors_2d;
typedef tdual_neighbors_2d::t_host t_neighbors_2d;
typedef tdual_neighbors_2d::t_host_const t_neighbors_2d_const;
typedef tdual_neighbors_2d::t_host_um t_neighbors_2d_um;
typedef tdual_neighbors_2d::t_host_const_um t_neighbors_2d_const_um;
typedef tdual_neighbors_2d::t_host_const_randomread t_neighbors_2d_randomread;
};
#endif
//default LAMMPS Types
typedef struct ArrayTypes<LMPDeviceType> DAT;
typedef struct ArrayTypes<LMPHostType> HAT;
template<class DeviceType, class BufferView, class DualView>
void buffer_view(BufferView &buf, DualView &view,
const size_t n0,
const size_t n1 = 0,
const size_t n2 = 0,
const size_t n3 = 0,
const size_t n4 = 0,
const size_t n5 = 0,
const size_t n6 = 0,
const size_t n7 = 0) {
buf = BufferView(
view.template view<DeviceType>().ptr_on_device(),
n0,n1,n2,n3,n4,n5,n6,n7);
}
template<class DeviceType>
struct MemsetZeroFunctor {
typedef DeviceType execution_space ;
void* ptr;
KOKKOS_INLINE_FUNCTION void operator()(const int i) const {
((int*)ptr)[i] = 0;
}
};
template<class ViewType>
void memset_kokkos (ViewType &view) {
static MemsetZeroFunctor<typename ViewType::execution_space> f;
f.ptr = view.ptr_on_device();
#ifdef KOKKOS_USING_EXPERIMENTAL_VIEW
Kokkos::parallel_for(view.memory_span()/4, f);
#else
Kokkos::parallel_for(view.capacity()*sizeof(typename ViewType::value_type)/4, f);
#endif
ViewType::execution_space::fence();
}
#if defined(KOKKOS_HAVE_CXX11)
#undef ISFINITE
#define ISFINITE(x) std::isfinite(x)
#endif
#endif
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