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38 * \brief Declares the 3D FFT class for PME.
40 * \author Aleksei Iupinov <a.yupinov@gmail.com>
41 * \ingroup module_ewald
44 #ifndef GMX_EWALD_PME_GPU_3DFFT_H
45 #define GMX_EWALD_PME_GPU_3DFFT_H
54 # include "gromacs/gpu_utils/gputraits.cuh"
58 # include "gromacs/gpu_utils/gmxopencl.h"
59 # include "gromacs/gpu_utils/gputraits_ocl.h"
61 # include "gromacs/gpu_utils/gputraits_sycl.h"
64 #include "gromacs/fft/fft.h" // for the enum gmx_fft_direction
69 * A 3D FFT class for performing R2C/C2R transforms
70 * \todo Make this class actually parallel over multiple GPUs
72 class GpuParallel3dFft
76 * Constructs CUDA/OpenCL FFT plans for performing 3D FFT on a PME grid.
78 * \param[in] pmeGpu The PME GPU structure.
79 * \param[in] gridIndex The index of the grid on which to perform the calculations.
81 GpuParallel3dFft(const PmeGpu* pmeGpu, int gridIndex);
82 /*! \brief Destroys the FFT plans. */
84 /*! \brief Performs the FFT transform in given direction
86 * \param[in] dir FFT transform direction specifier
87 * \param[out] timingEvent pointer to the timing event where timing data is recorded
89 void perform3dFft(gmx_fft_direction dir, CommandEvent* timingEvent);
96 cufftComplex* complexGrid_;
98 clfftPlanHandle planR2C_;
99 clfftPlanHandle planC2R_;
100 std::vector<cl_command_queue> deviceStreams_;