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37 * \brief Declares the GPU 3D FFT routines.
39 * \author Aleksei Iupinov <a.yupinov@gmail.com>
40 * \author Mark Abraham <mark.j.abraham@gmail.com>
41 * \author Gaurav Garg <gaugarg@nvidia.com>
45 #ifndef GMX_FFT_GPU_3DFFT_H
46 #define GMX_FFT_GPU_3DFFT_H
50 #include "gromacs/fft/fft.h"
51 #include "gromacs/gpu_utils/devicebuffer_datatype.h"
52 #include "gromacs/gpu_utils/gputraits.h"
53 #include "gromacs/utility/gmxmpi.h"
65 * Enum specifying all GPU FFT backends supported by GROMACS
66 * Some of the backends support only single GPU, some only multi-node, multi-GPU
70 Cufft, // supports only single-GPU
71 Ocl, // supports only single-GPU
72 Sycl, // Not supported currently
77 * A 3D FFT class for performing R2C/C2R transforms
83 * Construct 3D FFT object for given backend
85 * \param[in] backend FFT backend to be instantiated
86 * \param[in] allocateGrids True if fft grids are to be allocated, false if pre-allocated
87 * \param[in] comm MPI communicator, used with distributed-FFT backends
88 * \param[in] gridSizesInXForEachRank Number of grid points used with each rank in X-dimension
89 * \param[in] gridSizesInYForEachRank Number of grid points used with each rank in Y-dimension
90 * \param[in] nz Grid dimension in Z
91 * \param[in] performOutOfPlaceFFT Whether the FFT will be performed out-of-place
92 * \param[in] context GPU context.
93 * \param[in] pmeStream GPU stream for PME.
94 * \param[in,out] realGridSize Dimensions of the local real grid, out if allocateGrids=true
95 * \param[in,out] realGridSizePadded Dimensions of the local real grid with padding, out if allocateGrids=true
96 * \param[in,out] complexGridSizePadded Dimensions of the local complex grid with padding, out if allocateGrids=true
97 * \param[in,out] realGrid Device buffer of floats for the local real grid, out if allocateGrids=true
98 * \param[in,out] complexGrid Device buffer of complex floats for the local complex grid, out if allocateGrids=true
100 Gpu3dFft(FftBackend backend,
103 ArrayRef<const int> gridSizesInXForEachRank,
104 ArrayRef<const int> gridSizesInYForEachRank,
106 bool performOutOfPlaceFFT,
107 const DeviceContext& context,
108 const DeviceStream& pmeStream,
110 ivec realGridSizePadded,
111 ivec complexGridSizePadded,
112 DeviceBuffer<float>* realGrid,
113 DeviceBuffer<float>* complexGrid);
115 /*! \brief Destroys the FFT plans. */
117 /*! \brief Performs the FFT transform in given direction
119 * \param[in] dir FFT transform direction specifier
120 * \param[out] timingEvent pointer to the timing event where timing data is recorded
122 void perform3dFft(gmx_fft_direction dir, CommandEvent* timingEvent);
130 std::unique_ptr<Impl> impl_;