| version 1.2 | version 1.3 |
|---|
| |
| TileList* __restrict__ tileLists, | TileList* __restrict__ tileLists, |
| const CudaPatchRecord* __restrict__ patches, | const CudaPatchRecord* __restrict__ patches, |
| const int* __restrict__ tileListPos, | const int* __restrict__ tileListPos, |
| const float latticeX, const float latticeY, const float latticeZ, | const float3 lata, const float3 latb, const float3 latc, |
| const float cutoff2, const int maxTileListLen, | const float cutoff2, const int maxTileListLen, |
| const BoundingBox* __restrict__ boundingBoxes, | const BoundingBox* __restrict__ boundingBoxes, |
| int* __restrict__ tileJatomStart, | int* __restrict__ tileJatomStart, |
| |
| icompute = tileLists[itileList].icompute; | icompute = tileLists[itileList].icompute; |
| // Get i-column | // Get i-column |
| i = itileList - tileListPos[icompute]; | i = itileList - tileListPos[icompute]; |
| float shx = offsetXYZ.x*latticeX; | |
| float shy = offsetXYZ.y*latticeY; | float shx = offsetXYZ.x*lata.x + offsetXYZ.y*latb.x + offsetXYZ.z*latc.x; |
| float shz = offsetXYZ.z*latticeZ; | float shy = offsetXYZ.x*lata.y + offsetXYZ.y*latb.y + offsetXYZ.z*latc.y; |
| | float shz = offsetXYZ.x*lata.z + offsetXYZ.y*latb.z + offsetXYZ.z*latc.z; |
| | |
| // Load patches | // Load patches |
| patch1 = patches[patchInd.x]; | patch1 = patches[patchInd.x]; |
| |
| | |
| void CudaTileListKernel::buildTileLists(const int numTileListsPrev, | void CudaTileListKernel::buildTileLists(const int numTileListsPrev, |
| const int numPatchesIn, const int atomStorageSizeIn, const int maxTileListLenIn, | const int numPatchesIn, const int atomStorageSizeIn, const int maxTileListLenIn, |
| const float latticeX, const float latticeY, const float latticeZ, | const float3 lata, const float3 latb, const float3 latc, |
| const CudaPatchRecord* h_cudaPatches, const float4* h_xyzq, const float plcutoff2In, | const CudaPatchRecord* h_cudaPatches, const float4* h_xyzq, const float plcutoff2In, |
| cudaStream_t stream) { | cudaStream_t stream) { |
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| | |
| buildTileListsBBKernel <<< nblock, nthread, shmem_size, stream >>> | buildTileListsBBKernel <<< nblock, nthread, shmem_size, stream >>> |
| (numTileListsPrev, tileLists1, cudaPatches, tilePos, | (numTileListsPrev, tileLists1, cudaPatches, tilePos, |
| latticeX, latticeY, latticeZ, plcutoff2, maxTileListLen, | lata, latb, latc, plcutoff2, maxTileListLen, |
| boundingBoxes, tileJatomStart1, tileJatomStart1Size, | boundingBoxes, tileJatomStart1, tileJatomStart1Size, |
| tileListDepth1, tileListOrder1, patchPairs1, | tileListDepth1, tileListOrder1, patchPairs1, |
| d_tileListStat); | d_tileListStat); |