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Check out http://www.gromacs.org. */ /*! \internal \file * \brief Top-level file for generating PME OpenCL kernels. * This file includes all the PME OpenCL kernel files multiple times, with additional defines. * Plenty of common constants/macros are also expected to be already defined by the compiler * (such as "order" which is PME interpolation order). * For details, please see how pme_program.cl is compiled in pme_gpu_program_impl_ocl.cpp. * * This file specifically expects the following work size definitions: * * - c_spreadWorkGroupSize is a spline/spread kernels work group size. * - c_solveMaxWorkGroupSize is a solve kernels maximum work group size. * - c_gatherWorkGroupSize is a gather kernels work group size. * * \author Aleksei Iupinov */ // Assert placeholders, to not rip them out from OpenCL implementation - hopefully they come in handy some day with OpenCL 2 #define assert(a) #define PmeOpenCLKernelParams PmeGpuKernelParamsBase /* SPREAD/SPLINE */ #define atomsPerBlock (c_spreadWorkGroupSize / threadsPerAtom) #define atomsPerWarp (warp_size / threadsPerAtom) // spline/spread fused single grid (without FEP or FEP without energy and virial calculation at this step) #define computeSplines 1 #define spreadCharges 1 #define numGrids 1 /* Using define to avoid a conditional inside the function. */ #define CUSTOMIZED_KERNEL_NAME(x) pmeSplineAndSpreadKernelSingle #include "pme_spread.clh" #undef computeSplines #undef spreadCharges #undef numGrids #undef CUSTOMIZED_KERNEL_NAME // spline on single grid (without FEP or FEP without energy and virial calculation at this step) #define computeSplines 1 #define spreadCharges 0 #define numGrids 1 /* Using define to avoid a conditional inside the function. */ #define CUSTOMIZED_KERNEL_NAME(x) pmeSplineKernelSingle #include "pme_spread.clh" #undef computeSplines #undef spreadCharges #undef numGrids #undef CUSTOMIZED_KERNEL_NAME // spread on single grid (without FEP or FEP without energy and virial calculation at this step) #define computeSplines 0 #define spreadCharges 1 #define numGrids 1 /* Using define to avoid a conditional inside the function. */ #define CUSTOMIZED_KERNEL_NAME(x) pmeSpreadKernelSingle #include "pme_spread.clh" #undef computeSplines #undef spreadCharges #undef numGrids #undef CUSTOMIZED_KERNEL_NAME // spline/spread fused on two grids (FEP with energy and virial calculation at this step) #define computeSplines 1 #define spreadCharges 1 #define numGrids 2 /* Using define to avoid a conditional inside the function. */ #define CUSTOMIZED_KERNEL_NAME(x) pmeSplineAndSpreadKernelDual #include "pme_spread.clh" #undef computeSplines #undef spreadCharges #undef numGrids #undef CUSTOMIZED_KERNEL_NAME // spline on two grids (FEP with energy and virial calculation at this step) #define computeSplines 1 #define spreadCharges 0 #define numGrids 2 /* Using define to avoid a conditional inside the function. */ #define CUSTOMIZED_KERNEL_NAME(x) pmeSplineKernelDual #include "pme_spread.clh" #undef computeSplines #undef spreadCharges #undef numGrids #undef CUSTOMIZED_KERNEL_NAME // spread on two grids (FEP with energy and virial calculation at this step) #define computeSplines 0 #define spreadCharges 1 #define numGrids 2 /* Using define to avoid a conditional inside the function. */ #define CUSTOMIZED_KERNEL_NAME(x) pmeSpreadKernelDual #include "pme_spread.clh" #undef computeSplines #undef spreadCharges #undef numGrids #undef CUSTOMIZED_KERNEL_NAME #undef atomsPerBlock /* GATHER */ #define atomsPerBlock (c_gatherWorkGroupSize / threadsPerAtom) // gather using single grid #define numGrids 1 /* Using define to avoid a conditional inside the function. */ #define CUSTOMIZED_KERNEL_NAME(x) pmeGatherKernelSingle #include "pme_gather.clh" #undef numGrids #undef CUSTOMIZED_KERNEL_NAME // gather using two grids #define numGrids 2 /* Using define to avoid a conditional inside the function. */ #define CUSTOMIZED_KERNEL_NAME(x) pmeGatherKernelDual #include "pme_gather.clh" #undef numGrids #undef CUSTOMIZED_KERNEL_NAME #undef atomsPerBlock /* SOLVE */ // GridOrdering enum replacement #define YZX 1 #define XYZ 2 // solve, YZX dimension order state A #define gridOrdering YZX #define computeEnergyAndVirial 0 #define CUSTOMIZED_KERNEL_NAME(x) pmeSolveYZXKernelA #include "pme_solve.clh" #undef gridOrdering #undef computeEnergyAndVirial #undef CUSTOMIZED_KERNEL_NAME // solve with reduction, YZX dimension order state A #define gridOrdering YZX #define computeEnergyAndVirial 1 #define CUSTOMIZED_KERNEL_NAME(x) pmeSolveYZXEnergyKernelA #include "pme_solve.clh" #undef gridOrdering #undef computeEnergyAndVirial #undef CUSTOMIZED_KERNEL_NAME // solve, XYZ dimension order state A #define gridOrdering XYZ #define computeEnergyAndVirial 0 #define CUSTOMIZED_KERNEL_NAME(x) pmeSolveXYZKernelA #include "pme_solve.clh" #undef gridOrdering #undef computeEnergyAndVirial #undef CUSTOMIZED_KERNEL_NAME // solve with reduction, XYZ dimension order state A #define gridOrdering XYZ #define computeEnergyAndVirial 1 #define CUSTOMIZED_KERNEL_NAME(x) pmeSolveXYZEnergyKernelA #include "pme_solve.clh" #undef gridOrdering #undef computeEnergyAndVirial #undef CUSTOMIZED_KERNEL_NAME // solve, YZX dimension order state B #define gridOrdering YZX #define computeEnergyAndVirial 0 #define CUSTOMIZED_KERNEL_NAME(x) pmeSolveYZXKernelB #include "pme_solve.clh" #undef gridOrdering #undef computeEnergyAndVirial #undef CUSTOMIZED_KERNEL_NAME // solve with reduction, YZX dimension order state B #define gridOrdering YZX #define computeEnergyAndVirial 1 #define CUSTOMIZED_KERNEL_NAME(x) pmeSolveYZXEnergyKernelB #include "pme_solve.clh" #undef gridOrdering #undef computeEnergyAndVirial #undef CUSTOMIZED_KERNEL_NAME // solve, XYZ dimension order state B #define gridOrdering XYZ #define computeEnergyAndVirial 0 #define CUSTOMIZED_KERNEL_NAME(x) pmeSolveXYZKernelB #include "pme_solve.clh" #undef gridOrdering #undef computeEnergyAndVirial #undef CUSTOMIZED_KERNEL_NAME // solve with reduction, XYZ dimension order state B #define gridOrdering XYZ #define computeEnergyAndVirial 1 #define CUSTOMIZED_KERNEL_NAME(x) pmeSolveXYZEnergyKernelB #include "pme_solve.clh" #undef gridOrdering #undef computeEnergyAndVirial #undef CUSTOMIZED_KERNEL_NAME