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38 * Implements PmeGpuProgramImpl, which stores permanent PME GPU context-derived data,
39 * such as (compiled) kernel handles.
41 * \author Aleksei Iupinov <a.yupinov@gmail.com>
42 * \ingroup module_ewald
46 #include "pme-gpu-program-impl.h"
48 #include "gromacs/gpu_utils/cuda_arch_utils.cuh" // only for warp_size
50 #include "pme-gpu-internal.h" // for GridOrdering enum
51 #include "pme-gpu-types-host.h"
53 //! PME CUDA kernels forward declarations. Kernels are documented in their respective files.
56 const bool computeSplines,
57 const bool spreadCharges,
61 void pme_spline_and_spread_kernel(const PmeGpuCudaKernelParams kernelParams);
64 GridOrdering gridOrdering,
65 bool computeEnergyAndVirial
67 void pme_solve_kernel(const PmeGpuCudaKernelParams kernelParams);
71 const bool overwriteForces,
75 void pme_gather_kernel(const PmeGpuCudaKernelParams kernelParams);
78 PmeGpuProgramImpl::PmeGpuProgramImpl(const gmx_device_info_t *)
82 // PME interpolation order
83 constexpr int pmeOrder = 4;
84 GMX_UNUSED_VALUE(pmeOrder);
85 // These hardcoded spread/gather parameters refer to not-implemented PME GPU 2D decomposition in X/Y
86 constexpr bool wrapX = true;
87 constexpr bool wrapY = true;
88 GMX_UNUSED_VALUE(wrapX);
89 GMX_UNUSED_VALUE(wrapY);
90 splineAndSpreadKernel = pme_spline_and_spread_kernel<pmeOrder, true, true, wrapX, wrapY>;
91 splineKernel = pme_spline_and_spread_kernel<pmeOrder, true, false, wrapX, wrapY>;
92 spreadKernel = pme_spline_and_spread_kernel<pmeOrder, false, true, wrapX, wrapY>;
93 gatherKernel = pme_gather_kernel<pmeOrder, true, wrapX, wrapY>;
94 gatherReduceWithInputKernel = pme_gather_kernel<pmeOrder, false, wrapX, wrapY>;
95 solveXYZKernel = pme_solve_kernel<GridOrdering::XYZ, false>;
96 solveXYZEnergyKernel = pme_solve_kernel<GridOrdering::XYZ, true>;
97 solveYZXKernel = pme_solve_kernel<GridOrdering::YZX, false>;
98 solveYZXEnergyKernel = pme_solve_kernel<GridOrdering::YZX, true>;
101 PmeGpuProgramImpl::~PmeGpuProgramImpl()