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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>
44 #ifndef GMX_FFT_GPU_3DFFT_H
45 #define GMX_FFT_GPU_3DFFT_H
49 #include "gromacs/fft/fft.h"
50 #include "gromacs/gpu_utils/devicebuffer_datatype.h"
51 #include "gromacs/gpu_utils/gputraits.h"
60 * A 3D FFT class for performing R2C/C2R transforms
61 * \todo Make this class actually parallel over multiple GPUs
67 * Constructs GPU FFT plans for performing 3D FFT on a PME grid.
69 * \param[in] realGridSize Dimensions of the real grid
70 * \param[in] realGridSizePadded Dimensions of the real grid with padding
71 * \param[in] complexGridSizePadded Dimensions of the real grid with padding
72 * \param[in] useDecomposition Whether PME decomposition will be used
73 * \param[in] performOutOfPlaceFFT Whether the FFT will be performed out-of-place
74 * \param[in] context GPU context.
75 * \param[in] pmeStream GPU stream for PME.
76 * \param[in] realGrid Device buffer of floats for the real grid
77 * \param[in] complexGrid Device buffer of complex floats for the complex grid
79 Gpu3dFft(ivec realGridSize,
80 ivec realGridSizePadded,
81 ivec complexGridSizePadded,
82 bool useDecomposition,
83 bool performOutOfPlaceFFT,
84 const DeviceContext& context,
85 const DeviceStream& pmeStream,
86 DeviceBuffer<float> realGrid,
87 DeviceBuffer<float> complexGrid);
89 /*! \brief Destroys the FFT plans. */
91 /*! \brief Performs the FFT transform in given direction
93 * \param[in] dir FFT transform direction specifier
94 * \param[out] timingEvent pointer to the timing event where timing data is recorded
96 void perform3dFft(gmx_fft_direction dir, CommandEvent* timingEvent);
100 std::unique_ptr<Impl> impl_;