3 #if __cplusplus < 201103L 13 #include "PatchData.decl.h" 31 #include <hip/hip_runtime.h> 36 #ifdef NODEGROUP_FORCE_REGISTER 37 #ifdef NAMD_NCCL_ALLREDUCE 60 cudaStream_t nbond_stream;
62 size_t size_nb_datoms;
81 int* slow_patchPositions;
82 int slow_patchPositionsSize;
83 int* slow_pencilPatchIndex;
84 int slow_pencilPatchIndexSize;
88 int* s_datoms_partition;
93 int* d_globalToLocalID;
94 int* d_patchToDeviceMap;
96 std::vector<HomePatch*> patches;
99 std::vector<CudaLocalRecord> h_localPatches;
102 std::vector<CudaPeerRecord> h_peerPatches;
107 int numPatchesHomeAndProxy;
123 #if defined(NAMD_CUDA) || defined(NAMD_HIP) 158 #ifdef NODEGROUP_FORCE_REGISTER 175 double** h_soa_pos_x;
176 double** h_soa_pos_y;
177 double** h_soa_pos_z;
179 double** h_soa_vel_x;
180 double** h_soa_vel_y;
181 double** h_soa_vel_z;
183 float** h_soa_charge;
186 int** h_soa_sortOrder;
187 int** h_soa_unsortOrder;
190 double3** h_soa_patchCenter;
191 int4** h_soa_migrationDestination;
192 int** h_soa_sortSoluteIndex;
197 int** h_soa_partition;
201 bool** h_devHasForces;
202 unsigned int** d_queues;
203 unsigned int* d_queueCounters;
204 std::vector<int> migrationFlagPerDevice;
205 std::vector<int> tupleReallocationFlagPerDevice;
206 std::vector<int> atomReallocationFlagPerDevice;
208 std::atomic<int> maxNumBonds;
209 std::atomic<int> maxNumAngles;
210 std::atomic<int> maxNumDihedrals;
211 std::atomic<int> maxNumImpropers;
212 std::atomic<int> maxNumModifiedExclusions;
213 std::atomic<int> maxNumExclusions;
214 std::atomic<int> maxNumCrossterms;
215 std::vector<int> devicePatchMapFlag;
216 #ifdef NAMD_NCCL_ALLREDUCE 229 ComputeBondedCUDA **cudaBondedList;
232 std::vector<DeviceData> devData;
234 CmiNodeLock nodeLock;
235 std::vector<int> cbStore;
236 std::atomic<int> suspendCounter;
238 std::atomic<int> updateCounter;
242 #endif // PATCHDATA_H
NodeReduction * reduction
cudaTensor * d_positionRescaleFactor
CollectionMaster * ptrCollectionMaster
cudaTensor * d_langevinPiston_strainRate
cudaTensor * d_langevinPiston_origStrainRate
cudaTensor * d_strainRate_old
NodeReduction * nodeReductionSave
void setDeviceKernelUpdateCounter()