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#include "HipDefines.h"
Go to the source code of this file.
Classes | |
struct | exclmask |
Macros | |
#define | NUM_WARP 4 |
#define | PATCH_PAIR_SIZE (sizeof(patch_pair)/4) |
#define | COPY_ATOM(DEST, SOURCE) |
#define | COPY_PARAM(DEST, SOURCE) |
#define | COPY_ATOM_TO_SHARED(ATOM, PARAM, SHARED) |
#define | COPY_ATOM_FROM_SHARED(ATOM, PARAM, SHARED) |
#define | MAX_EXCLUSIONS (1<<27) |
#define | MAX_CONST_EXCLUSIONS 2048 |
#define | FORCE_TABLE_SIZE 4096 |
Typedefs | |
typedef float | GBReal |
Functions | |
void | cuda_errcheck (const char *msg) |
struct | __align__ (16) patch_pair |
void | cuda_bind_exclusions (const unsigned int *t, int n) |
void | cuda_bind_lj_table (const float2 *t, int _lj_table_size) |
void | cuda_bind_force_table (const float4 *t, const float4 *et) |
void | cuda_init () |
void | cuda_bind_patch_pairs (patch_pair *h_patch_pairs, int npatch_pairs, int npatches, int natoms, int nexclmask, int plist_len) |
void | cuda_bind_atom_params (const atom_param *t) |
void | cuda_bind_vdw_types (const int *t) |
void | cuda_bind_atoms (const atom *a) |
void | cuda_bind_forces (float4 *f, float4 *f_slow) |
void | cuda_bind_virials (float *v, int *queue, int *blockorder) |
void | cuda_nonbonded_forces (float3 lata, float3 latb, float3 latc, float cutoff2, float plcutoff2, int cbegin, int ccount, int ctotal, int doSlow, int doEnergy, int usePairlists, int savePairlists, int doStreaming, int saveOrder, cudaStream_t &strm) |
void | cuda_GBIS_P1 (int cbegin, int ccount, int pbegin, int pcount, float a_cut, float rho_0, float3 lata, float3 latb, float3 latc, cudaStream_t &strm) |
void | cuda_GBIS_P2 (int cbegin, int ccount, int pbegin, int pcount, float a_cut, float r_cut, float scaling, float kappa, float smoothDist, float epsilon_p, float epsilon_s, float3 lata, float3 latb, float3 latc, int doEnergy, int doFullElec, cudaStream_t &strm) |
void | cuda_GBIS_P3 (int cbegin, int ccount, int pbegin, int pcount, float a_cut, float rho_0, float scaling, float3 lata, float3 latb, float3 latc, cudaStream_t &strm) |
void | cuda_bind_GBIS_intRad (float *intRad0H, float *intRadSH) |
void | cuda_bind_GBIS_energy (float *energy_gbis) |
void | cuda_bind_GBIS_psiSum (GBReal *psiSumH) |
void | cuda_bind_GBIS_bornRad (float *bornRadH) |
void | cuda_bind_GBIS_dEdaSum (GBReal *dEdaSumH) |
void | cuda_bind_GBIS_dHdrPrefix (float *dHdrPrefixH) |
int | cuda_stream_finished () |
#define COPY_ATOM | ( | DEST, | |
SOURCE | |||
) |
Definition at line 53 of file ComputeNonbondedCUDAKernel.h.
#define COPY_ATOM_FROM_SHARED | ( | ATOM, | |
PARAM, | |||
SHARED | |||
) |
Definition at line 73 of file ComputeNonbondedCUDAKernel.h.
#define COPY_ATOM_TO_SHARED | ( | ATOM, | |
PARAM, | |||
SHARED | |||
) |
Definition at line 68 of file ComputeNonbondedCUDAKernel.h.
#define COPY_PARAM | ( | DEST, | |
SOURCE | |||
) |
Definition at line 60 of file ComputeNonbondedCUDAKernel.h.
#define FORCE_TABLE_SIZE 4096 |
Definition at line 91 of file ComputeNonbondedCUDAKernel.h.
Referenced by ComputeNonbondedCUDA::build_force_table(), and cuda_bind_force_table().
#define MAX_CONST_EXCLUSIONS 2048 |
Definition at line 81 of file ComputeNonbondedCUDAKernel.h.
Referenced by cuda_bind_exclusions(), and void().
#define MAX_EXCLUSIONS (1<<27) |
Definition at line 80 of file ComputeNonbondedCUDAKernel.h.
Referenced by ComputeNonbondedCUDA::build_exclusions().
#define NUM_WARP 4 |
Definition at line 9 of file ComputeNonbondedCUDAKernel.h.
Referenced by cuda_GBIS_P1(), cuda_GBIS_P2(), cuda_GBIS_P3(), cuda_nonbonded_forces(), GBIS_P1_Kernel(), GBIS_P2_Kernel(), GBIS_P3_Kernel(), reduceVariables(), and void().
#define PATCH_PAIR_SIZE (sizeof(patch_pair)/4) |
Definition at line 39 of file ComputeNonbondedCUDAKernel.h.
Referenced by GBIS_P1_Kernel(), GBIS_P2_Kernel(), GBIS_P3_Kernel(), and void().
typedef float GBReal |
Definition at line 4 of file ComputeNonbondedCUDAKernel.h.
struct __align__ | ( | 16 | ) |
void cuda_bind_atom_params | ( | const atom_param * | t | ) |
Definition at line 352 of file ComputeNonbondedCUDAKernel.cu.
References atom_params, cuda_errcheck(), num_atoms, and stream.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_bind_atoms | ( | const atom * | a | ) |
Definition at line 364 of file ComputeNonbondedCUDAKernel.cu.
References atoms, cuda_errcheck(), num_atoms, and stream.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_bind_exclusions | ( | const unsigned int * | t, |
int | n | ||
) |
Definition at line 22 of file ComputeNonbondedCUDAKernel.cu.
References const_exclusions, cuda_errcheck(), exclusions, exclusions_size, MAX_CONST_EXCLUSIONS, overflow_exclusions, and tex_exclusions.
Referenced by ComputeNonbondedCUDA::build_exclusions().
void cuda_bind_force_table | ( | const float4 * | t, |
const float4 * | et | ||
) |
Definition at line 90 of file ComputeNonbondedCUDAKernel.cu.
References cuda_errcheck(), energy_table, force_table, and FORCE_TABLE_SIZE.
Referenced by ComputeNonbondedCUDA::build_force_table().
void cuda_bind_forces | ( | float4 * | f, |
float4 * | f_slow | ||
) |
Definition at line 371 of file ComputeNonbondedCUDAKernel.cu.
References cuda_errcheck(), forces, and slow_forces.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_bind_GBIS_bornRad | ( | float * | bornRadH | ) |
Definition at line 406 of file ComputeNonbondedCUDAKernel.cu.
References bornRadD, cuda_errcheck(), num_atoms, and stream.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
Definition at line 412 of file ComputeNonbondedCUDAKernel.cu.
References cuda_errcheck(), and dEdaSumD.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_bind_GBIS_dHdrPrefix | ( | float * | dHdrPrefixH | ) |
Definition at line 417 of file ComputeNonbondedCUDAKernel.cu.
References cuda_errcheck(), dHdrPrefixD, num_atoms, and stream.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_bind_GBIS_energy | ( | float * | energy_gbis | ) |
Definition at line 389 of file ComputeNonbondedCUDAKernel.cu.
References cuda_errcheck(), and energy_gbis.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_bind_GBIS_intRad | ( | float * | intRad0H, |
float * | intRadSH | ||
) |
Definition at line 393 of file ComputeNonbondedCUDAKernel.cu.
References cuda_errcheck(), intRad0D, intRadSD, num_atoms, and stream.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
Definition at line 401 of file ComputeNonbondedCUDAKernel.cu.
References cuda_errcheck(), and psiSumD.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
Definition at line 59 of file ComputeNonbondedCUDAKernel.cu.
References cuda_errcheck(), lj_table, and lj_table_size.
Referenced by ComputeNonbondedCUDA::build_lj_table().
void cuda_bind_patch_pairs | ( | patch_pair * | h_patch_pairs, |
int | npatch_pairs, | ||
int | npatches, | ||
int | natoms, | ||
int | nexclmask, | ||
int | plist_len | ||
) |
Definition at line 293 of file ComputeNonbondedCUDAKernel.cu.
References atom_params, atom_params_size, atoms, atoms_size, bornRadD, bornRadD_size, cuda_errcheck(), dHdrPrefixD, dHdrPrefixD_size, exclmasks, exclmasks_size, GBIS_P1_counters, GBIS_P1_counters_size, GBIS_P2_counters, GBIS_P2_counters_size, GBIS_P3_counters, GBIS_P3_counters_size, global_counters, global_counters_size, intRad0D, intRad0D_size, intRadSD, intRadSD_size, num_atoms, num_patches, num_virials, patch_pairs, patch_pairs_size, plist, plist_size, slow_tmpforces, slow_tmpforces_size, slow_tmpvirials, slow_tmpvirials_size, tmp_dEdaSumD, tmp_dEdaSumD_size, tmp_energy_gbis, tmp_energy_gbis_size, tmp_psiSumD, tmp_psiSumD_size, tmpforces, tmpforces_size, tmpvirials, tmpvirials_size, vdw_types, and vdw_types_size.
Referenced by ComputeNonbondedCUDA::doWork().
void cuda_bind_vdw_types | ( | const int * | t | ) |
Definition at line 358 of file ComputeNonbondedCUDAKernel.cu.
References cuda_errcheck(), num_atoms, stream, and vdw_types.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_bind_virials | ( | float * | v, |
int * | queue, | ||
int * | blockorder | ||
) |
Definition at line 378 of file ComputeNonbondedCUDAKernel.cu.
References block_order, cuda_errcheck(), force_ready_queue, num_virials, slow_virials, and virials.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_errcheck | ( | const char * | msg | ) |
Definition at line 45 of file ComputeNonbondedCUDA.C.
void cuda_GBIS_P1 | ( | int | cbegin, |
int | ccount, | ||
int | pbegin, | ||
int | pcount, | ||
float | a_cut, | ||
float | rho_0, | ||
float3 | lata, | ||
float3 | latb, | ||
float3 | latc, | ||
cudaStream_t & | strm | ||
) |
Definition at line 568 of file ComputeNonbondedCUDAKernel.cu.
References atoms, cuda_errcheck(), GBIS_P1_counters, intRad0D, intRadSD, lata, latb, latc, max_grid_size, num_atoms, NUM_WARP, patch_pairs, psiSumD, tmp_psiSumD, and WARPSIZE.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_GBIS_P2 | ( | int | cbegin, |
int | ccount, | ||
int | pbegin, | ||
int | pcount, | ||
float | a_cut, | ||
float | r_cut, | ||
float | scaling, | ||
float | kappa, | ||
float | smoothDist, | ||
float | epsilon_p, | ||
float | epsilon_s, | ||
float3 | lata, | ||
float3 | latb, | ||
float3 | latc, | ||
int | doEnergy, | ||
int | doFullElec, | ||
cudaStream_t & | strm | ||
) |
Definition at line 613 of file ComputeNonbondedCUDAKernel.cu.
References atoms, bornRadD, cuda_errcheck(), dEdaSumD, energy_gbis, forces, GBIS_P2_counters, lata, latb, latc, max_grid_size, num_atoms, num_patches, NUM_WARP, patch_pairs, tmp_dEdaSumD, tmp_energy_gbis, tmpforces, and WARPSIZE.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_GBIS_P3 | ( | int | cbegin, |
int | ccount, | ||
int | pbegin, | ||
int | pcount, | ||
float | a_cut, | ||
float | rho_0, | ||
float | scaling, | ||
float3 | lata, | ||
float3 | latb, | ||
float3 | latc, | ||
cudaStream_t & | strm | ||
) |
Definition at line 675 of file ComputeNonbondedCUDAKernel.cu.
References atoms, cuda_errcheck(), dHdrPrefixD, GBIS_P3_counters, intRad0D, intRadSD, lata, latb, latc, max_grid_size, NUM_WARP, patch_pairs, slow_forces, slow_tmpforces, and WARPSIZE.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
void cuda_init | ( | ) |
Definition at line 203 of file ComputeNonbondedCUDAKernel.cu.
References atom_params, atom_params_size, atoms, atoms_size, bornRadD, bornRadD_size, cuda_errcheck(), dEdaSumD, dHdrPrefixD, dHdrPrefixD_size, energy_gbis, exclmasks, exclmasks_size, exclusions, exclusions_size, force_ready_queue, forces, GBIS_P1_counters, GBIS_P1_counters_size, GBIS_P2_counters, GBIS_P2_counters_size, GBIS_P3_counters, GBIS_P3_counters_size, global_counters, global_counters_size, intRad0D, intRad0D_size, intRadSD, intRadSD_size, max_grid_size, patch_pairs, patch_pairs_size, plist, plist_size, psiSumD, slow_forces, slow_tmpforces, slow_tmpforces_size, slow_tmpvirials, slow_tmpvirials_size, tmp_dEdaSumD, tmp_dEdaSumD_size, tmp_energy_gbis, tmp_energy_gbis_size, tmp_psiSumD, tmp_psiSumD_size, tmpforces, tmpforces_size, tmpvirials, tmpvirials_size, vdw_types, and vdw_types_size.
Referenced by ComputeNonbondedCUDA::ComputeNonbondedCUDA().
void cuda_nonbonded_forces | ( | float3 | lata, |
float3 | latb, | ||
float3 | latc, | ||
float | cutoff2, | ||
float | plcutoff2, | ||
int | cbegin, | ||
int | ccount, | ||
int | ctotal, | ||
int | doSlow, | ||
int | doEnergy, | ||
int | usePairlists, | ||
int | savePairlists, | ||
int | doStreaming, | ||
int | saveOrder, | ||
cudaStream_t & | strm | ||
) |
Definition at line 499 of file ComputeNonbondedCUDAKernel.cu.
References CALL, cuda_errcheck(), cutoff2, max_grid_size, num_atoms, num_patches, NUM_WARP, slow_tmpforces, slow_tmpvirials, tmpforces, tmpvirials, and WARPSIZE.
Referenced by ComputeNonbondedCUDA::recvYieldDevice().
int cuda_stream_finished | ( | ) |