version 1.1 | version 1.2 |
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// Setup fftCompute and pmeKSpaceCompute | // Setup fftCompute and pmeKSpaceCompute |
fftCompute = new CudaFFTCompute(deviceID, stream); | fftCompute = new CudaFFTCompute(deviceID, stream); |
pmeKSpaceCompute = new CudaPmeKSpaceCompute(pmeGrid, Perm_cX_Y_Z, 0, 0, | pmeKSpaceCompute = new CudaPmeKSpaceCompute(pmeGrid, Perm_cX_Y_Z, 0, 0, |
ComputeNonbondedUtil::ewaldcof, | ComputeNonbondedUtil::ewaldcof, deviceID, stream); |
deviceCUDA->get_cuda_arch(), | |
deviceID, stream); | |
} | } |
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void CudaPmePencilXYZ::backwardDone() { | void CudaPmePencilXYZ::backwardDone() { |
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fftCompute = new CudaFFTCompute(deviceID, stream); | fftCompute = new CudaFFTCompute(deviceID, stream); |
pmeTranspose = new CudaPmeTranspose(pmeGrid, Perm_Z_cX_Y, thisIndex.x, thisIndex.y, deviceID, stream); | pmeTranspose = new CudaPmeTranspose(pmeGrid, Perm_Z_cX_Y, thisIndex.x, thisIndex.y, deviceID, stream); |
pmeKSpaceCompute = new CudaPmeKSpaceCompute(pmeGrid, Perm_Z_cX_Y, thisIndex.x, thisIndex.y, | pmeKSpaceCompute = new CudaPmeKSpaceCompute(pmeGrid, Perm_Z_cX_Y, thisIndex.x, thisIndex.y, |
ComputeNonbondedUtil::ewaldcof, | ComputeNonbondedUtil::ewaldcof, deviceID, stream); |
deviceCUDA->get_cuda_arch(), | |
deviceID, stream); | |
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// Create event. NOTE: Events are tied to devices, hence the cudaSetDevice() here | // Create event. NOTE: Events are tied to devices, hence the cudaSetDevice() here |
cudaCheck(cudaSetDevice(deviceID)); | cudaCheck(cudaSetDevice(deviceID)); |