Gromacs
2024.4
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#include "gmxpre.h"
#include "gpu_3dfft_sycl_bbfft.h"
#include "config.h"
#include <bbfft/bad_configuration.hpp>
#include <bbfft/configuration.hpp>
#include <bbfft/sycl/make_plan.hpp>
#include "gromacs/gpu_utils/device_stream.h"
#include "gromacs/gpu_utils/devicebuffer_sycl.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include <cstddef>
Implements GPU 3D FFT routines for SYCL. using the double-batched FFT library found at https://github.com/intel/double-batched-fft-library. MKL is expected to perform a bit better than bbfft except for extremely large simulations.