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37 * Helper functions and constants for SYCL NBNXM kernels
39 * \ingroup module_nbnxm
41 #ifndef GMX_NBNXM_SYCL_NBNXN_SYCL_KERNEL_UTILS_H
42 #define GMX_NBNXM_SYCL_NBNXN_SYCL_KERNEL_UTILS_H
44 #include "gromacs/gpu_utils/sycl_kernel_utils.h"
45 #include "gromacs/nbnxm/pairlist.h"
46 #include "gromacs/nbnxm/pairlistparams.h"
51 #ifndef GMX_NBNXN_PRUNE_KERNEL_J4_CONCURRENCY
52 //! \brief Default for the prune kernel's j4 processing concurrency.
53 # define GMX_NBNXN_PRUNE_KERNEL_J4_CONCURRENCY 4
56 /*! \brief Prune kernel's j4 processing concurrency.
58 * The \c GMX_NBNXN_PRUNE_KERNEL_J4_CONCURRENCY macro allows compile-time override.
60 static constexpr int c_syclPruneKernelJ4Concurrency = GMX_NBNXN_PRUNE_KERNEL_J4_CONCURRENCY;
62 /* Convenience constants */
64 // cluster size = number of atoms per cluster.
65 static constexpr int c_clSize = c_nbnxnGpuClusterSize;
66 // Square of cluster size.
67 static constexpr int c_clSizeSq = c_clSize * c_clSize;
68 // j-cluster size after split (4 in the current implementation).
69 static constexpr int c_splitClSize = c_clSize / c_nbnxnGpuClusterpairSplit;
70 // i-cluster interaction mask for a super-cluster with all c_nbnxnGpuNumClusterPerSupercluster=8 bits set.
71 static constexpr unsigned superClInteractionMask = ((1U << c_nbnxnGpuNumClusterPerSupercluster) - 1U);
73 // 1/sqrt(pi), same value as \c M_FLOAT_1_SQRTPI in other NB kernels.
74 static constexpr float c_OneOverSqrtPi = 0.564189583547756F;
75 // 1/6, same value as in other NB kernels.
76 static constexpr float c_oneSixth = 0.16666667F;
77 // 1/12, same value as in other NB kernels.
78 static constexpr float c_oneTwelfth = 0.08333333F;
83 #endif // GMX_NBNXM_SYCL_NBNXN_SYCL_KERNEL_UTILS_H