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#include "CudaUtils.h"
#include "ComputeNonbondedCUDAKernel.h"
#include <stdio.h>
#include "ComputeNonbondedCUDAKernelBase.h"
#include "ComputeGBISCUDAKernel.h"
Go to the source code of this file.
Macros | |
#define | SET_EXCL(EXCL, BASE, DIFF) (EXCL)[((BASE)+(DIFF))>>5] |= (1<<(((BASE)+(DIFF))&31)) |
#define | BLOCK_SIZE 128 |
#define | MAKE_PAIRLIST |
#define | DO_SLOW |
#define | DO_ENERGY |
#define | DO_ENERGY |
#define | DO_SLOW |
#define | DO_ENERGY |
#define | DO_ENERGY |
#define | CALL(X) |
Functions | |
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 plist_len, int nexclmask) |
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_bind_GBIS_energy (float *e) |
void | cuda_bind_GBIS_intRad (float *intRad0H, float *intRadSH) |
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) |
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) |
Variables | |
texture< unsigned int, 1, cudaReadModeElementType > | tex_exclusions |
static __thread int | exclusions_size |
static __thread unsigned int * | exclusions |
__constant__ unsigned int | const_exclusions [MAX_CONST_EXCLUSIONS] |
static __thread unsigned int * | overflow_exclusions |
texture< float2, 1, cudaReadModeElementType > | lj_table |
static __thread int | lj_table_size |
texture< float4, 1, cudaReadModeElementType > | force_table |
texture< float4, 1, cudaReadModeElementType > | energy_table |
static __thread int | num_patches |
static __thread int | num_virials |
static __thread int | num_atoms |
static __thread int | patch_pairs_size |
static __thread patch_pair * | patch_pairs |
static __thread int | atom_params_size |
static __thread atom_param * | atom_params |
static __thread int | vdw_types_size |
static __thread int * | vdw_types |
static __thread int | atoms_size |
static __thread atom * | atoms |
static __thread int | tmpforces_size |
static __thread float4 * | tmpforces |
static __thread int | slow_tmpforces_size |
static __thread float4 * | slow_tmpforces |
static __thread int | tmpvirials_size |
static __thread float * | tmpvirials |
static __thread int | slow_tmpvirials_size |
static __thread float * | slow_tmpvirials |
static __thread int | global_counters_size |
static __thread unsigned int * | global_counters |
static __thread int | plist_size |
static __thread unsigned int * | plist |
static __thread int | exclmasks_size |
static __thread exclmask * | exclmasks |
static __thread float4 * | forces |
static __thread float4 * | slow_forces |
static __thread int * | force_ready_queue |
static __thread float * | virials |
static __thread float * | slow_virials |
static __thread int * | block_order |
static __thread int | intRad0D_size |
static __thread float * | intRad0D |
static __thread int | intRadSD_size |
static __thread float * | intRadSD |
static __thread GBReal * | psiSumD |
static __thread int | tmp_psiSumD_size |
static __thread GBReal * | tmp_psiSumD |
static __thread int | bornRadD_size |
static __thread float * | bornRadD |
static __thread GBReal * | dEdaSumD |
static __thread int | tmp_dEdaSumD_size |
static __thread GBReal * | tmp_dEdaSumD |
static __thread int | dHdrPrefixD_size |
static __thread float * | dHdrPrefixD |
static __thread int | GBIS_P1_counters_size |
static __thread unsigned int * | GBIS_P1_counters |
static __thread int | GBIS_P2_counters_size |
static __thread unsigned int * | GBIS_P2_counters |
static __thread int | GBIS_P3_counters_size |
static __thread unsigned int * | GBIS_P3_counters |
static __thread float * | energy_gbis |
static __thread int | tmp_energy_gbis_size |
static __thread float * | tmp_energy_gbis |
__thread int | max_grid_size |
__thread cudaStream_t | stream |
__thread cudaStream_t | stream2 |
#define BLOCK_SIZE 128 |
Definition at line 474 of file ComputeNonbondedCUDAKernel.cu.
Referenced by GBIS_P2_Kernel().
#define CALL | ( | X | ) |
#define DO_ENERGY |
Definition at line 494 of file ComputeNonbondedCUDAKernel.cu.
#define DO_ENERGY |
Definition at line 494 of file ComputeNonbondedCUDAKernel.cu.
#define DO_ENERGY |
Definition at line 494 of file ComputeNonbondedCUDAKernel.cu.
#define DO_ENERGY |
Definition at line 494 of file ComputeNonbondedCUDAKernel.cu.
#define DO_SLOW |
Definition at line 488 of file ComputeNonbondedCUDAKernel.cu.
#define DO_SLOW |
Definition at line 488 of file ComputeNonbondedCUDAKernel.cu.
#define MAKE_PAIRLIST |
Definition at line 476 of file ComputeNonbondedCUDAKernel.cu.
#define SET_EXCL | ( | EXCL, | |
BASE, | |||
DIFF | |||
) | (EXCL)[((BASE)+(DIFF))>>5] |= (1<<(((BASE)+(DIFF))&31)) |
Definition at line 19 of file ComputeNonbondedCUDAKernel.cu.
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 * | e | ) |
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 | plist_len, | ||
int | nexclmask | ||
) |
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_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().
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Definition at line 131 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_atom_params(), cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 130 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 135 of file ComputeNonbondedCUDAKernel.cu.
Referenced by Molecule::atomcharge(), Molecule::atommass(), Molecule::atomvdwtype(), buildAtomData(), CudaPmeRealSpaceCompute::copyAtoms(), WorkDistrib::createAtomLists(), WorkDistrib::createHomePatches(), cuda_bind_atoms(), cuda_bind_patch_pairs(), cuda_GBIS_P1(), cuda_GBIS_P2(), cuda_GBIS_P3(), cuda_init(), cuda_pme_charges_batched_dev(), cuda_pme_charges_dev(), cuda_pme_forces_dev(), ComputeGBISser::doWork(), dumpbench(), gather_force(), Molecule::getAtoms(), outputCompressedFile(), Molecule::receive_Molecule(), WorkDistrib::reinitAtoms(), ComputeGlobal::saveTotalForces(), ComputePmeCUDADevice::sendAtomsToNeighbor(), spread_charge(), ComputePmeCUDADevice::spreadCharge(), void(), and Molecule::~Molecule().
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Definition at line 134 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 159 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_virials().
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Definition at line 174 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_GBIS_bornRad(), cuda_bind_patch_pairs(), cuda_GBIS_P2(), and cuda_init().
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Definition at line 173 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
__constant__ unsigned int const_exclusions[MAX_CONST_EXCLUSIONS] |
Definition at line 16 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_exclusions(), and void().
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Definition at line 176 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_GBIS_dEdaSum(), cuda_GBIS_P2(), and cuda_init().
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Definition at line 182 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_GBIS_dHdrPrefix(), cuda_bind_patch_pairs(), cuda_GBIS_P3(), and cuda_init().
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Definition at line 181 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 193 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_GBIS_energy(), cuda_GBIS_P2(), and cuda_init().
texture<float4, 1, cudaReadModeElementType> energy_table |
Definition at line 88 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_force_table(), and void().
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Definition at line 152 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 151 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 14 of file ComputeNonbondedCUDAKernel.cu.
Referenced by bondedForcesKernel(), cuda_bind_exclusions(), cuda_init(), Molecule::get_exclusion(), Molecule::receive_Molecule(), and Molecule::~Molecule().
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Definition at line 13 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_exclusions(), and cuda_init().
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Definition at line 156 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_virials(), and cuda_init().
texture<float4, 1, cudaReadModeElementType> force_table |
Definition at line 87 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_force_table(), and void().
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Definition at line 154 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_forces(), cuda_GBIS_P2(), cuda_init(), ComputeConsForce::doForce(), ComputeEField::doForce(), ComputeConsTorque::doForce(), ComputeStir::doForce(), ComputeGridForce::doForce(), ComputeSphericalBC::doForce(), ComputeCylindricalBC::doForce(), and void().
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Definition at line 185 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_GBIS_P1(), and cuda_init().
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Definition at line 184 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 188 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_GBIS_P2(), and cuda_init().
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Definition at line 187 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 191 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_GBIS_P3(), and cuda_init().
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Definition at line 190 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 148 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 147 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 163 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_GBIS_intRad(), cuda_bind_patch_pairs(), cuda_GBIS_P1(), cuda_GBIS_P3(), and cuda_init().
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Definition at line 162 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 166 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_GBIS_intRad(), cuda_bind_patch_pairs(), cuda_GBIS_P1(), cuda_GBIS_P3(), and cuda_init().
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Definition at line 165 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
texture<float2, 1, cudaReadModeElementType> lj_table |
Definition at line 56 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_lj_table(), and void().
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Definition at line 57 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_lj_table(), and void().
__thread int max_grid_size |
Definition at line 198 of file ComputeNonbondedCUDAKernel.cu.
Referenced by ComputeNonbondedCUDA::ComputeNonbondedCUDA(), cuda_GBIS_P1(), cuda_GBIS_P2(), cuda_GBIS_P3(), cuda_init(), and cuda_nonbonded_forces().
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Definition at line 126 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_atom_params(), cuda_bind_atoms(), cuda_bind_GBIS_bornRad(), cuda_bind_GBIS_dHdrPrefix(), cuda_bind_GBIS_intRad(), cuda_bind_patch_pairs(), cuda_bind_vdw_types(), cuda_GBIS_P1(), cuda_GBIS_P2(), and cuda_nonbonded_forces().
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Definition at line 124 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_GBIS_P2(), and cuda_nonbonded_forces().
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Definition at line 125 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_bind_virials().
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Definition at line 17 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_exclusions().
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Definition at line 129 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_GBIS_P1(), cuda_GBIS_P2(), cuda_GBIS_P3(), cuda_init(), and ComputeNonbondedCUDA::doWork().
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Definition at line 128 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 150 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_init(), PmeAtomFiler::fileAtoms(), outputProxyTree(), and NodeProxyMgr::sendProxyList().
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Definition at line 149 of file ComputeNonbondedCUDAKernel.cu.
Referenced by __align__(), cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 168 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_GBIS_psiSum(), cuda_GBIS_P1(), and cuda_init().
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Definition at line 155 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_forces(), cuda_GBIS_P3(), cuda_init(), and void().
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Definition at line 140 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_GBIS_P3(), cuda_init(), cuda_nonbonded_forces(), and void().
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Definition at line 139 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 145 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_init(), cuda_nonbonded_forces(), and void().
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Definition at line 144 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 158 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_virials().
__thread cudaStream_t stream |
Definition at line 200 of file ComputeNonbondedCUDAKernel.cu.
Referenced by ComputeBondedCUDAKernel::bondedForce(), CudaTileListKernel::buildTileLists(), clear_device_array(), CudaTileListKernel::clearTileListStat(), ComputeNonbondedCUDA::ComputeNonbondedCUDA(), ComputePmeMgr::ComputePmeMgr(), copy3D_DtoD(), copy3D_DtoH(), copy3D_HtoD(), copy3D_PeerDtoD(), copy_DtoD(), copy_DtoH(), copy_HtoD(), copy_PeerDtoD(), cuda_bind_atom_params(), cuda_bind_atoms(), cuda_bind_GBIS_bornRad(), cuda_bind_GBIS_dHdrPrefix(), cuda_bind_GBIS_intRad(), cuda_bind_vdw_types(), CudaTileListKernel::finishTileList(), CudaComputeGBISKernel::GBISphase1(), CudaComputeGBISKernel::GBISphase2(), ComputePmeCUDAMgr::initialize_pencils(), CudaPmePencilXYZ::initializeDevice(), CudaComputeNonbondedKernel::nonbondedForce(), CudaTileListKernel::prepareTileList(), ComputeNonbondedCUDA::recvYieldDevice(), CudaComputeNonbondedKernel::reduceVirialEnergy(), ComputeBondedCUDAKernel::update(), CudaComputeGBISKernel::update_dHdrPrefix(), CudaComputeGBISKernel::updateBornRad(), CudaTileListKernel::updateComputes(), CudaComputeGBISKernel::updateIntRad(), CudaComputeNonbondedKernel::updateVdwTypesExcl(), writeComplexToDisk(), writeRealToDisk(), and ComputePmeCUDAMgr::~ComputePmeCUDAMgr().
__thread cudaStream_t stream2 |
Definition at line 201 of file ComputeNonbondedCUDAKernel.cu.
Referenced by ComputeNonbondedCUDA::ComputeNonbondedCUDA(), and ComputeNonbondedCUDA::recvYieldDevice().
texture<unsigned int, 1, cudaReadModeElementType> tex_exclusions |
Definition at line 12 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_exclusions().
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Definition at line 179 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_GBIS_P2(), and cuda_init().
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Definition at line 178 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 196 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_GBIS_P2(), and cuda_init().
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Definition at line 195 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 171 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_GBIS_P1(), and cuda_init().
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Definition at line 170 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 138 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_GBIS_P2(), cuda_init(), cuda_nonbonded_forces(), and void().
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Definition at line 137 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 143 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_init(), cuda_nonbonded_forces(), and void().
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Definition at line 142 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 133 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), cuda_bind_vdw_types(), and cuda_init().
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Definition at line 132 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_patch_pairs(), and cuda_init().
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Definition at line 157 of file ComputeNonbondedCUDAKernel.cu.
Referenced by cuda_bind_virials().