kokkos_type.h
3c8e75ad590alammm-devel

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 "lmptype.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

			// User-settable FFT precision

			// FFT_PRECISION = 1 is single-precision complex (4-byte real, 4-byte imag)
			// FFT_PRECISION = 2 is double-precision complex (8-byte real, 8-byte imag)

			#ifdef FFT_SINGLE
			#define FFT_PRECISION 1
			#define MPI_FFT_SCALAR MPI_FLOAT
			typedef float FFT_SCALAR;
			#else
			#define FFT_PRECISION 2
			#define MPI_FFT_SCALAR MPI_DOUBLE
			typedef double FFT_SCALAR;
			#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;

			struct s_EV_FLOAT_REAX {
			E_FLOAT evdwl;
			E_FLOAT ecoul;
			E_FLOAT v[6];
			E_FLOAT ereax[10];
			KOKKOS_INLINE_FUNCTION
			s_EV_FLOAT_REAX() {
			evdwl = 0;
			ecoul = 0;
			v[0] = 0; v[1] = 0; v[2] = 0;
			v[3] = 0; v[4] = 0; v[5] = 0;
			ereax[0] = 0; ereax[1] = 0; ereax[2] = 0;
			ereax[3] = 0; ereax[4] = 0; ereax[5] = 0;
			ereax[6] = 0; ereax[7] = 0; ereax[8] = 0;
			}

			KOKKOS_INLINE_FUNCTION
			void operator+=(const s_EV_FLOAT_REAX &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];
			ereax[0] += rhs.ereax[0];
			ereax[1] += rhs.ereax[1];
			ereax[2] += rhs.ereax[2];
			ereax[3] += rhs.ereax[3];
			ereax[4] += rhs.ereax[4];
			ereax[5] += rhs.ereax[5];
			ereax[6] += rhs.ereax[6];
			ereax[7] += rhs.ereax[7];
			ereax[8] += rhs.ereax[8];
			}

			KOKKOS_INLINE_FUNCTION
			void operator+=(const volatile s_EV_FLOAT_REAX &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];
			ereax[0] += rhs.ereax[0];
			ereax[1] += rhs.ereax[1];
			ereax[2] += rhs.ereax[2];
			ereax[3] += rhs.ereax[3];
			ereax[4] += rhs.ereax[4];
			ereax[5] += rhs.ereax[5];
			ereax[6] += rhs.ereax[6];
			ereax[7] += rhs.ereax[7];
			ereax[8] += rhs.ereax[8];
			}
			};
			typedef struct s_EV_FLOAT_REAX EV_FLOAT_REAX;

			#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<int**, LMPDeviceType::array_layout, LMPDeviceType> tdual_int_2d_dl;
			typedef tdual_int_2d_dl::t_dev t_int_2d_dl;
			typedef tdual_int_2d_dl::t_dev_const t_int_2d_const_dl;
			typedef tdual_int_2d_dl::t_dev_um t_int_2d_um_dl;
			typedef tdual_int_2d_dl::t_dev_const_um t_int_2d_const_um_dl;
			typedef tdual_int_2d_dl::t_dev_const_randomread t_int_2d_randomread_dl;

			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*m, device layout

			typedef Kokkos::DualView<F_FLOAT**, LMPDeviceType::array_layout, LMPDeviceType> tdual_ffloat_2d_dl;
			typedef tdual_ffloat_2d_dl::t_dev t_ffloat_2d_dl;
			typedef tdual_ffloat_2d_dl::t_dev_const t_ffloat_2d_const_dl;
			typedef tdual_ffloat_2d_dl::t_dev_um t_ffloat_2d_um_dl;
			typedef tdual_ffloat_2d_dl::t_dev_const_um t_ffloat_2d_const_um_dl;
			typedef tdual_ffloat_2d_dl::t_dev_const_randomread t_ffloat_2d_randomread_dl;

			//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;

			//Kspace

			typedef Kokkos::
			DualView<FFT_SCALAR*, Kokkos::LayoutRight, LMPDeviceType> tdual_FFT_SCALAR_1d;
			typedef tdual_FFT_SCALAR_1d::t_dev t_FFT_SCALAR_1d;
			typedef tdual_FFT_SCALAR_1d::t_dev_um t_FFT_SCALAR_1d_um;

			typedef Kokkos::DualView<FFT_SCALAR**,Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_2d;
			typedef tdual_FFT_SCALAR_2d::t_dev t_FFT_SCALAR_2d;

			typedef Kokkos::DualView<FFT_SCALAR**[3],Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_2d_3;
			typedef tdual_FFT_SCALAR_2d_3::t_dev t_FFT_SCALAR_2d_3;

			typedef Kokkos::DualView<FFT_SCALAR***,Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_3d;
			typedef tdual_FFT_SCALAR_3d::t_dev t_FFT_SCALAR_3d;

			typedef Kokkos::
			DualView<FFT_SCALAR*[2], Kokkos::LayoutRight, LMPDeviceType> tdual_FFT_DATA_1d;
			typedef tdual_FFT_DATA_1d::t_dev t_FFT_DATA_1d;
			typedef tdual_FFT_DATA_1d::t_dev_um t_FFT_DATA_1d_um;

			typedef Kokkos::
			DualView<int*, LMPDeviceType::array_layout, LMPDeviceType> tdual_int_64;
			typedef tdual_int_64::t_dev t_int_64;
			typedef tdual_int_64::t_dev_um t_int_64_um;

			};

			#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<int**, LMPDeviceType::array_layout, LMPDeviceType> tdual_int_2d_dl;
			typedef tdual_int_2d_dl::t_host t_int_2d_dl;
			typedef tdual_int_2d_dl::t_host_const t_int_2d_const_dl;
			typedef tdual_int_2d_dl::t_host_um t_int_2d_um_dl;
			typedef tdual_int_2d_dl::t_host_const_um t_int_2d_const_um_dl;
			typedef tdual_int_2d_dl::t_host_const_randomread t_int_2d_randomread_dl;

			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*m, device layout
			typedef Kokkos::DualView<F_FLOAT**, LMPDeviceType::array_layout, LMPDeviceType> tdual_ffloat_2d_dl;
			typedef tdual_ffloat_2d_dl::t_host t_ffloat_2d_dl;
			typedef tdual_ffloat_2d_dl::t_host_const t_ffloat_2d_const_dl;
			typedef tdual_ffloat_2d_dl::t_host_um t_ffloat_2d_um_dl;
			typedef tdual_ffloat_2d_dl::t_host_const_um t_ffloat_2d_const_um_dl;
			typedef tdual_ffloat_2d_dl::t_host_const_randomread t_ffloat_2d_randomread_dl;

			//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;


			//Kspace

			typedef Kokkos::
			DualView<FFT_SCALAR*, Kokkos::LayoutRight, LMPDeviceType> tdual_FFT_SCALAR_1d;
			typedef tdual_FFT_SCALAR_1d::t_host t_FFT_SCALAR_1d;
			typedef tdual_FFT_SCALAR_1d::t_host_um t_FFT_SCALAR_1d_um;

			typedef Kokkos::DualView<FFT_SCALAR**,Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_2d;
			typedef tdual_FFT_SCALAR_2d::t_host t_FFT_SCALAR_2d;

			typedef Kokkos::DualView<FFT_SCALAR**[3],Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_2d_3;
			typedef tdual_FFT_SCALAR_2d_3::t_host t_FFT_SCALAR_2d_3;

			typedef Kokkos::DualView<FFT_SCALAR***,Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_3d;
			typedef tdual_FFT_SCALAR_3d::t_host t_FFT_SCALAR_3d;

			typedef Kokkos::
			DualView<FFT_SCALAR*[2], Kokkos::LayoutRight, LMPDeviceType> tdual_FFT_DATA_1d;
			typedef tdual_FFT_DATA_1d::t_host t_FFT_DATA_1d;
			typedef tdual_FFT_DATA_1d::t_host_um t_FFT_DATA_1d_um;

			typedef Kokkos::
			DualView<int*, LMPDeviceType::array_layout, LMPDeviceType> tdual_int_64;
			typedef tdual_int_64::t_host t_int_64;
			typedef tdual_int_64::t_host_um t_int_64_um;

			};
			#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();
			#ifndef KOKKOS_USING_DEPRECATED_VIEW
			Kokkos::parallel_for(view.span()*sizeof(typename ViewType::value_type)/4, f);
			#else
			Kokkos::parallel_for(view.capacity()*sizeof(typename ViewType::value_type)/4, f);
			#endif
			ViewType::execution_space::fence();
			}

			struct params_lj_coul {
			KOKKOS_INLINE_FUNCTION
			params_lj_coul(){cut_ljsq=0;cut_coulsq=0;lj1=0;lj2=0;lj3=0;lj4=0;offset=0;};
			KOKKOS_INLINE_FUNCTION
			params_lj_coul(int i){cut_ljsq=0;cut_coulsq=0;lj1=0;lj2=0;lj3=0;lj4=0;offset=0;};
			F_FLOAT cut_ljsq,cut_coulsq,lj1,lj2,lj3,lj4,offset;
			};

			#if defined(KOKKOS_HAVE_CXX11)
			#undef ISFINITE
			#define ISFINITE(x) std::isfinite(x)
			#endif

			#ifdef KOKKOS_HAVE_CUDA
			#define LAMMPS_LAMBDA [=] __device__
			#else
			#define LAMMPS_LAMBDA [=]
			#endif

			#endif

lammps/src/KOKKOS/kokkos_type.h3c8e75ad590alammm-devel

kokkos_type.hView Options

lammps/src/KOKKOS/kokkos_type.h
3c8e75ad590alammm-devel

kokkos_type.h
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