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37 * \brief Implements CUDA FFT routines for PME GPU.
39 * \author Aleksei Iupinov <a.yupinov@gmail.com>
40 * \ingroup module_ewald
45 #include "pme_gpu_3dfft.h"
47 #include "gromacs/utility/fatalerror.h"
48 #include "gromacs/utility/gmxassert.h"
51 #include "pme_gpu_types.h"
52 #include "pme_gpu_types_host.h"
53 #include "pme_gpu_types_host_impl.h"
55 static void handleCufftError(cufftResult_t status, const char* msg)
57 if (status != CUFFT_SUCCESS)
59 gmx_fatal(FARGS, "%s (error code %d)\n", msg, status);
63 GpuParallel3dFft::GpuParallel3dFft(const PmeGpu* pmeGpu, const int gridIndex)
65 const PmeGpuCudaKernelParams* kernelParamsPtr = pmeGpu->kernelParams.get();
66 ivec realGridSize, realGridSizePadded, complexGridSizePadded;
67 for (int i = 0; i < DIM; i++)
69 realGridSize[i] = kernelParamsPtr->grid.realGridSize[i];
70 realGridSizePadded[i] = kernelParamsPtr->grid.realGridSizePadded[i];
71 complexGridSizePadded[i] = kernelParamsPtr->grid.complexGridSizePadded[i];
74 GMX_RELEASE_ASSERT(!pme_gpu_settings(pmeGpu).useDecomposition,
75 "FFT decomposition not implemented");
77 const int complexGridSizePaddedTotal =
78 complexGridSizePadded[XX] * complexGridSizePadded[YY] * complexGridSizePadded[ZZ];
79 const int realGridSizePaddedTotal =
80 realGridSizePadded[XX] * realGridSizePadded[YY] * realGridSizePadded[ZZ];
82 realGrid_ = reinterpret_cast<cufftReal*>(kernelParamsPtr->grid.d_realGrid[gridIndex]);
83 GMX_RELEASE_ASSERT(realGrid_, "Bad (null) input real-space grid");
84 complexGrid_ = reinterpret_cast<cufftComplex*>(kernelParamsPtr->grid.d_fourierGrid[gridIndex]);
85 GMX_RELEASE_ASSERT(complexGrid_, "Bad (null) input complex grid");
88 /* Commented code for a simple 3D grid with no padding */
90 result = cufftPlan3d(&planR2C_, realGridSize[XX], realGridSize[YY], realGridSize[ZZ],
91 CUFFT_R2C); handleCufftError(result, "cufftPlan3d R2C plan failure");
93 result = cufftPlan3d(&planC2R_, realGridSize[XX], realGridSize[YY], realGridSize[ZZ],
94 CUFFT_C2R); handleCufftError(result, "cufftPlan3d C2R plan failure");
97 const int rank = 3, batch = 1;
98 result = cufftPlanMany(&planR2C_,
103 realGridSizePaddedTotal,
104 complexGridSizePadded,
106 complexGridSizePaddedTotal,
109 handleCufftError(result, "cufftPlanMany R2C plan failure");
111 result = cufftPlanMany(&planC2R_,
114 complexGridSizePadded,
116 complexGridSizePaddedTotal,
119 realGridSizePaddedTotal,
122 handleCufftError(result, "cufftPlanMany C2R plan failure");
124 cudaStream_t stream = pmeGpu->archSpecific->pmeStream_.stream();
125 GMX_RELEASE_ASSERT(stream, "Using the default CUDA stream for PME cuFFT");
127 result = cufftSetStream(planR2C_, stream);
128 handleCufftError(result, "cufftSetStream R2C failure");
130 result = cufftSetStream(planC2R_, stream);
131 handleCufftError(result, "cufftSetStream C2R failure");
134 GpuParallel3dFft::~GpuParallel3dFft()
136 cufftResult_t result;
137 result = cufftDestroy(planR2C_);
138 handleCufftError(result, "cufftDestroy R2C failure");
139 result = cufftDestroy(planC2R_);
140 handleCufftError(result, "cufftDestroy C2R failure");
143 void GpuParallel3dFft::perform3dFft(gmx_fft_direction dir, CommandEvent* /*timingEvent*/)
145 cufftResult_t result;
146 if (dir == GMX_FFT_REAL_TO_COMPLEX)
148 result = cufftExecR2C(planR2C_, realGrid_, complexGrid_);
149 handleCufftError(result, "cuFFT R2C execution failure");
153 result = cufftExecC2R(planC2R_, complexGrid_, realGrid_);
154 handleCufftError(result, "cuFFT C2R execution failure");