| version 1.1 | version 1.2 |
|---|
| |
| // 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); | |
| } | } |
| | |
| void CudaPmePencilXYZ::backwardDone() { | void CudaPmePencilXYZ::backwardDone() { |
| |
| 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); | |
| | |
| // 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)); |