cuda_common.h
a05fa107d8ffmaster

cuda_common.h
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			/* ----------------------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator

			Original Version:
			http://lammps.sandia.gov, Sandia National Laboratories
			Steve Plimpton, sjplimp@sandia.gov

			See the README file in the top-level LAMMPS directory.

			-----------------------------------------------------------------------

			USER-CUDA Package and associated modifications:
			https://sourceforge.net/projects/lammpscuda/

			Christian Trott, christian.trott@tu-ilmenau.de
			Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
			Theoretical Physics II, University of Technology Ilmenau, Germany

			See the README file in the USER-CUDA directory.

			This software is distributed under the GNU General Public License.
			------------------------------------------------------------------------- */

			#ifndef _CUDA_COMMON_H_
			#define _CUDA_COMMON_H_

			//#include "cutil.h"
			#include "cuda_precision.h"
			#include "cuda_wrapper_cu.h"

			#define CUDA_MAX_TYPES_PLUS_ONE 12 //for pair styles which use constant space for parameters, this needs to be one larger than the number of atom types
			//this can not be arbitrarly large, since constant space is limited.
			//in principle one could alter potentials to use global memory for parameters, some du that already since the first examples I encountered had a high number (20+) of atom types
			//Christian
			#define CUDA_MAX_TYPES2 (CUDA_MAX_TYPES_PLUS_ONE * CUDA_MAX_TYPES_PLUS_ONE)
			#define CUDA_MAX_NSPECIAL 25

			// define some easy-to-use debug and emulation macros
			#ifdef _DEBUG
			#define MYDBG(a) a
			#else
			#define MYDBG(a)
			#endif

			#if __DEVICE_EMULATION__
			#define MYEMU(a) a
			#else
			#define MYEMU(a)
			#endif

			#define MYEMUDBG(a) MYEMU(MYDBG(a))

			// Add Prefix (needed as workaround, same constant's names in different files causes conflict)
			#define MY_ADD_PREFIX(prefix, var) prefix##_##var
			#define MY_ADD_PREFIX2(prefix, var) MY_ADD_PREFIX(prefix, var)
			#define MY_AP(var) MY_ADD_PREFIX2(MY_PREFIX, var)

			#define MY_VAR_TO_STR(var) #var
			#define MY_VAR_TO_STR2(var) MY_VAR_TO_STR(var)
			//#define &MY_AP(var) (MY_VAR_TO_STR2(MY_PREFIX) "_" MY_VAR_TO_STR2(var))
			//#define &MY_AP(var) &(MY_AP(var))
			#define CUDA_USE_TEXTURE
			#define CUDA_USE_CFLOAT4

			//constants used by many classes

			//domain
			#define _boxhi MY_AP(boxhi)
			#define _boxlo MY_AP(boxlo)
			#define _subhi MY_AP(subhi)
			#define _sublo MY_AP(sublo)
			#define _box_size MY_AP(box_size)
			#define _prd MY_AP(prd)
			#define _periodicity MY_AP(periodicity)
			#define _triclinic MY_AP(triclinic)
			#define _boxhi_lamda MY_AP(boxhi_lamda)
			#define _boxlo_lamda MY_AP(boxlo_lamda)
			#define _prd_lamda MY_AP(prd_lamda)
			#define _h MY_AP(h)
			#define _h_inv MY_AP(h_inv)
			#define _h_rate MY_AP(h_rate)
			__device__ __constant__ X_CFLOAT _boxhi[3];
			__device__ __constant__ X_CFLOAT _boxlo[3];
			__device__ __constant__ X_CFLOAT _subhi[3];
			__device__ __constant__ X_CFLOAT _sublo[3];
			__device__ __constant__ X_CFLOAT _box_size[3];
			__device__ __constant__ X_CFLOAT _prd[3];
			__device__ __constant__ int _periodicity[3];
			__device__ __constant__ int _triclinic;
			__device__ __constant__ X_CFLOAT _boxhi_lamda[3];
			__device__ __constant__ X_CFLOAT _boxlo_lamda[3];
			__device__ __constant__ X_CFLOAT _prd_lamda[3];
			__device__ __constant__ X_CFLOAT _h[6];
			__device__ __constant__ X_CFLOAT _h_inv[6];
			__device__ __constant__ V_CFLOAT _h_rate[6];


			//atom properties
			#define _x MY_AP(x)
			#define _v MY_AP(v)
			#define _f MY_AP(f)
			#define _tag MY_AP(tag)
			#define _type MY_AP(type)
			#define _mask MY_AP(mask)
			#define _image MY_AP(image)
			#define _q MY_AP(q)
			#define _mass MY_AP(mass)
			#define _rmass MY_AP(rmass)
			#define _rmass_flag MY_AP(rmass_flag)
			#define _eatom MY_AP(eatom)
			#define _vatom MY_AP(vatom)
			#define _x_type MY_AP(x_type)
			#define _radius MY_AP(radius)
			#define _density MY_AP(density)
			#define _omega MY_AP(omega)
			#define _torque MY_AP(torque)
			#define _special MY_AP(special)
			#define _maxspecial MY_AP(maxspecial)
			#define _nspecial MY_AP(nspecial)
			#define _special_flag MY_AP(special_flag)
			#define _molecule MY_AP(molecule)
			#define _v_radius MY_AP(v_radius)
			#define _omega_rmass MY_AP(omega_rmass)
			#define _freeze_group_bit MY_AP(freeze_group_bit)
			#define _map_array MY_AP(map_array)
			__device__ __constant__ X_CFLOAT* _x; //holds pointer to positions
			__device__ __constant__ V_CFLOAT* _v;
			__device__ __constant__ F_CFLOAT* _f;
			__device__ __constant__ int* _tag;
			__device__ __constant__ int* _type;
			__device__ __constant__ int* _mask;
			__device__ __constant__ int* _image;
			__device__ __constant__ V_CFLOAT* _mass;
			__device__ __constant__ F_CFLOAT* _q;
			__device__ __constant__ V_CFLOAT* _rmass;
			__device__ __constant__ int _rmass_flag;
			__device__ __constant__ ENERGY_CFLOAT* _eatom;
			__device__ __constant__ ENERGY_CFLOAT* _vatom;
			__device__ __constant__ X_CFLOAT4* _x_type; //holds pointer to positions
			__device__ __constant__ X_CFLOAT* _radius;
			__device__ __constant__ F_CFLOAT* _density;
			__device__ __constant__ V_CFLOAT* _omega;
			__device__ __constant__ F_CFLOAT* _torque;
			__device__ __constant__ int* _special;
			__device__ __constant__ int _maxspecial;
			__device__ __constant__ int* _nspecial;
			__device__ __constant__ int _special_flag[4];
			__device__ __constant__ int* _molecule;
			__device__ __constant__ V_CFLOAT4* _v_radius; //holds pointer to positions
			__device__ __constant__ V_CFLOAT4* _omega_rmass; //holds pointer to positions
			__device__ __constant__ int _freeze_group_bit;
			__device__ __constant__ int* _map_array;

			#ifdef CUDA_USE_TEXTURE

			#define _x_tex MY_AP(x_tex)
			#if X_PRECISION == 1
			texture<float> _x_tex;
			#else
			texture<int2, 1> _x_tex;
			#endif

			#define _type_tex MY_AP(type_tex)
			texture<int> _type_tex;

			#define _x_type_tex MY_AP(x_type_tex)
			#if X_PRECISION == 1
			texture<float4, 1> _x_type_tex;
			#else
			texture<int4, 1> _x_type_tex;
			#endif

			#define _v_radius_tex MY_AP(v_radius_tex)
			#if V_PRECISION == 1
			texture<float4, 1> _v_radius_tex;
			#else
			texture<int4, 1> _v_radius_tex;
			#endif

			#define _omega_rmass_tex MY_AP(omega_rmass_tex)
			#if V_PRECISION == 1
			texture<float4, 1> _omega_rmass_tex;
			#else
			texture<int4, 1> _omega_rmass_tex;
			#endif

			#define _q_tex MY_AP(q_tex)
			#if F_PRECISION == 1
			texture<float> _q_tex;
			#else
			texture<int2, 1> _q_tex;
			#endif

			#endif

			//neighbor
			#ifdef IncludeCommonNeigh
			#define _inum MY_AP(inum)
			#define _inum_border MY_AP(inum_border)
			#define _ilist MY_AP(ilist)
			#define _ilist_border MY_AP(ilist_border)
			#define _numneigh MY_AP(numneigh)
			#define _numneigh_border MY_AP(numneigh_border)
			#define _numneigh_inner MY_AP(numneigh_inner)
			#define _firstneigh MY_AP(firstneigh)
			#define _neighbors MY_AP(neighbors)
			#define _neighbors_border MY_AP(neighbors_border)
			#define _neighbors_inner MY_AP(neighbors_inner)
			#define _reneigh_flag MY_AP(reneigh_flag)
			#define _triggerneighsq MY_AP(triggerneighsq)
			#define _xhold MY_AP(xhold)
			#define _maxhold MY_AP(maxhold)
			#define _dist_check MY_AP(dist_check)
			#define _neighbor_maxlocal MY_AP(neighbor_maxlocal)
			#define _maxneighbors MY_AP(maxneighbors)
			#define _overlap_comm MY_AP(overlap_comm)
			__device__ __constant__ int _inum;
			__device__ __constant__ int* _inum_border;
			__device__ __constant__ int* _ilist;
			__device__ __constant__ int* _ilist_border;
			__device__ __constant__ int* _numneigh;
			__device__ __constant__ int* _numneigh_border;
			__device__ __constant__ int* _numneigh_inner;
			__device__ __constant__ int** _firstneigh;
			__device__ __constant__ int* _neighbors;
			__device__ __constant__ int* _neighbors_border;
			__device__ __constant__ int* _neighbors_inner;
			__device__ __constant__ int* _reneigh_flag;
			__device__ __constant__ X_CFLOAT _triggerneighsq;
			__device__ __constant__ X_CFLOAT* _xhold; //holds pointer to positions
			__device__ __constant__ int _maxhold;
			__device__ __constant__ int _dist_check;
			__device__ __constant__ int _neighbor_maxlocal;
			__device__ __constant__ int _maxneighbors;
			__device__ __constant__ int _overlap_comm;
			#endif

			//system properties
			#define _nall MY_AP(nall)
			#define _nghost MY_AP(nghost)
			#define _nlocal MY_AP(nlocal)
			#define _nmax MY_AP(nmax)
			#define _cuda_ntypes MY_AP(cuda_ntypes)
			#define _dtf MY_AP(dtf)
			#define _dtv MY_AP(dtv)
			#define _factor MY_AP(factor)
			#define _virial MY_AP(virial)
			#define _eng_vdwl MY_AP(eng_vdwl)
			#define _eng_coul MY_AP(eng_coul)
			#define _molecular MY_AP(molecular)
			__device__ __constant__ unsigned _nall;
			__device__ __constant__ unsigned _nghost;
			__device__ __constant__ unsigned _nlocal;
			__device__ __constant__ unsigned _nmax;
			__device__ __constant__ unsigned _cuda_ntypes;
			__device__ __constant__ V_CFLOAT _dtf;
			__device__ __constant__ X_CFLOAT _dtv;
			__device__ __constant__ V_CFLOAT _factor;
			__device__ __constant__ ENERGY_CFLOAT* _virial;
			__device__ __constant__ ENERGY_CFLOAT* _eng_vdwl;
			__device__ __constant__ ENERGY_CFLOAT* _eng_coul;
			__device__ __constant__ int _molecular;

			//other general constants
			#define _buffer MY_AP(buffer)
			#define _flag MY_AP(flag)
			#define _debugdata MY_AP(debugdata)
			__device__ __constant__ void* _buffer;
			__device__ __constant__ int* _flag;
			__device__ __constant__ int* _debugdata;

			// pointers to data fields on GPU are hold in constant space
			// -> reduces register usage and number of parameters for kernelcalls
			// will be variables of file scope in cuda files




			// maybe used to output cudaError_t
			#define MY_OUTPUT_RESULT(result) \
			switch(result) \
			{ \
			case cudaSuccess: printf(" => cudaSuccess\n"); break; \
			case cudaErrorInvalidValue: printf(" => cudaErrorInvalidValue\n"); break; \
			case cudaErrorInvalidSymbol: printf(" => cudaErrorInvalidSymbol\n"); break; \
			case cudaErrorInvalidDevicePointer: printf(" => cudaErrorInvalidDevicePointer\n"); break; \
			case cudaErrorInvalidMemcpyDirection: printf(" => cudaErrorInvalidMemcpyDirection\n"); break; \
			default: printf(" => unknown\n"); break; \
			}

			#ifdef _DEBUG
			# define CUT_CHECK_ERROR(errorMessage) { \
			cudaError_t err = cudaGetLastError(); \
			if( cudaSuccess != err) { \
			fprintf(stderr, "Cuda error: %s in file '%s' in line %i : %s.\n", \
			errorMessage, __FILE__, __LINE__, cudaGetErrorString( err) );\
			exit(EXIT_FAILURE); \
			} \
			err = cudaThreadSynchronize(); \
			if( cudaSuccess != err) { \
			fprintf(stderr, "Cuda error: %s in file '%s' in line %i : %s.\n", \
			errorMessage, __FILE__, __LINE__, cudaGetErrorString( err) );\
			exit(EXIT_FAILURE); \
			} \
			}
			#else
			# define CUT_CHECK_ERROR(errorMessage) { \
			cudaError_t err = cudaGetLastError(); \
			if( cudaSuccess != err) { \
			fprintf(stderr, "Cuda error: %s in file '%s' in line %i : %s.\n", \
			errorMessage, __FILE__, __LINE__, cudaGetErrorString( err) );\
			exit(EXIT_FAILURE); \
			} \
			}
			#endif

			# define CUDA_SAFE_CALL_NO_SYNC( call) { \
			cudaError err = call; \
			if( cudaSuccess != err) { \
			fprintf(stderr, "Cuda error in file '%s' in line %i : %s.\n", \
			__FILE__, __LINE__, cudaGetErrorString( err) ); \
			exit(EXIT_FAILURE); \
			} }

			# define CUDA_SAFE_CALL( call) CUDA_SAFE_CALL_NO_SYNC(call);

			#define X_MASK 1
			#define V_MASK 2
			#define F_MASK 4
			#define TAG_MASK 8
			#define TYPE_MASK 16
			#define MASK_MASK 32
			#define IMAGE_MASK 64
			#define Q_MASK 128
			#define MOLECULE_MASK 256
			#define RMASS_MASK 512
			#define RADIUS_MASK 1024
			#define DENSITY_MASK 2048
			#define OMEGA_MASK 4096
			#define TORQUE_MASK 8192



			#endif // #ifdef _CUDA_COMMON_H_

lammps/lib/cuda/cuda_common.ha05fa107d8ffmaster

cuda_common.hView Options

lammps/lib/cuda/cuda_common.h
a05fa107d8ffmaster

cuda_common.h
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