src/gromacs/nbnxm/kernels_reference/kernel_ref.h

   1 /*
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   3  *
   4  * Copyright (c) 2012,2013,2014,2015,2017 The GROMACS development team.
   5  * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
   6  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   7  * and including many others, as listed in the AUTHORS file in the
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  35  */
  36 /*! \internal \file
  37  *
  38  * \brief
  39  * Declares CPU reference kernels
  40  *
  41  * \author Berk Hess <hess@kth.se>
  42  * \ingroup module_nbnxm
  43  */
  44 #ifndef GMX_NBNXM_KERNELS_REFERENCE_KERNEL_REF_H
  45 #define GMX_NBNXM_KERNELS_REFERENCE_KERNEL_REF_H
  46
  47 #include "gromacs/nbnxm/kernel_common.h"
  48
  49 //! All the different CPU reference kernel functions.
  50 //! \{
  51 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJ_F_ref;
  52 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJFsw_F_ref;
  53 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJPsw_F_ref;
  54 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJEwCombGeom_F_ref;
  55 nbk_func_noener nbnxn_kernel_ElecRF_VdwLJEwCombLB_F_ref;
  56 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJ_F_ref;
  57 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJFsw_F_ref;
  58 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJPsw_F_ref;
  59 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_F_ref;
  60 nbk_func_noener nbnxn_kernel_ElecQSTab_VdwLJEwCombLB_F_ref;
  61 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_ref;
  62 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_F_ref;
  63 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_F_ref;
  64 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_ref;
  65 nbk_func_noener nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_F_ref;
  66
  67 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJ_VF_ref;
  68 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJFsw_VF_ref;
  69 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJPsw_VF_ref;
  70 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VF_ref;
  71 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJEwCombLB_VF_ref;
  72 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJ_VF_ref;
  73 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJFsw_VF_ref;
  74 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJPsw_VF_ref;
  75 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_VF_ref;
  76 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJEwCombLB_VF_ref;
  77 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_ref;
  78 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_VF_ref;
  79 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_VF_ref;
  80 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_ref;
  81 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_VF_ref;
  82
  83 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJ_VgrpF_ref;
  84 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJFsw_VgrpF_ref;
  85 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJPsw_VgrpF_ref;
  86 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_ref;
  87 nbk_func_ener nbnxn_kernel_ElecRF_VdwLJEwCombLB_VgrpF_ref;
  88 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJ_VgrpF_ref;
  89 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJFsw_VgrpF_ref;
  90 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJPsw_VgrpF_ref;
  91 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_ref;
  92 nbk_func_ener nbnxn_kernel_ElecQSTab_VdwLJEwCombLB_VgrpF_ref;
  93 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_ref;
  94 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_VgrpF_ref;
  95 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_VgrpF_ref;
  96 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_ref;
  97 nbk_func_ener nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_VgrpF_ref;
  98 //! \}
  99
 100 #ifdef INCLUDE_KERNELFUNCTION_TABLES
 101
 102 /*! \brief Declare and define the kernel function pointer lookup tables.
 103  *
 104  * The minor index of the array goes over both the LJ combination rules,
 105  * which is only supported by plain cut-off, and the LJ switch/PME functions.
 106  * For the C reference kernels, unlike the SIMD kernels, there is not much
 107  * advantage in using combination rules, so we (re-)use the same kernel.
 108  */
 109 //! \{
 110 static p_nbk_func_noener nbnxn_kernel_noener_ref[coulktNR][vdwktNR_ref] = {
 111     { nbnxn_kernel_ElecRF_VdwLJ_F_ref,
 112       nbnxn_kernel_ElecRF_VdwLJ_F_ref,
 113       nbnxn_kernel_ElecRF_VdwLJ_F_ref,
 114       nbnxn_kernel_ElecRF_VdwLJFsw_F_ref,
 115       nbnxn_kernel_ElecRF_VdwLJPsw_F_ref,
 116       nbnxn_kernel_ElecRF_VdwLJEwCombGeom_F_ref,
 117       nbnxn_kernel_ElecRF_VdwLJEwCombLB_F_ref },
 118     { nbnxn_kernel_ElecQSTab_VdwLJ_F_ref,
 119       nbnxn_kernel_ElecQSTab_VdwLJ_F_ref,
 120       nbnxn_kernel_ElecQSTab_VdwLJ_F_ref,
 121       nbnxn_kernel_ElecQSTab_VdwLJFsw_F_ref,
 122       nbnxn_kernel_ElecQSTab_VdwLJPsw_F_ref,
 123       nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_F_ref,
 124       nbnxn_kernel_ElecQSTab_VdwLJEwCombLB_F_ref },
 125     { nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_ref,
 126       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_ref,
 127       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_ref,
 128       nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_F_ref,
 129       nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_F_ref,
 130       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_ref,
 131       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_F_ref },
 132     { nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_ref,
 133       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_ref,
 134       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_ref,
 135       nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_F_ref,
 136       nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_F_ref,
 137       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_ref,
 138       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_F_ref },
 139     { nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_ref,
 140       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_ref,
 141       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_F_ref,
 142       nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_F_ref,
 143       nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_F_ref,
 144       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_ref,
 145       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_F_ref }
 146 };
 147
 148 static p_nbk_func_ener nbnxn_kernel_ener_ref[coulktNR][vdwktNR_ref] = {
 149     { nbnxn_kernel_ElecRF_VdwLJ_VF_ref,
 150       nbnxn_kernel_ElecRF_VdwLJ_VF_ref,
 151       nbnxn_kernel_ElecRF_VdwLJ_VF_ref,
 152       nbnxn_kernel_ElecRF_VdwLJFsw_VF_ref,
 153       nbnxn_kernel_ElecRF_VdwLJPsw_VF_ref,
 154       nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VF_ref,
 155       nbnxn_kernel_ElecRF_VdwLJEwCombLB_VF_ref },
 156     { nbnxn_kernel_ElecQSTab_VdwLJ_VF_ref,
 157       nbnxn_kernel_ElecQSTab_VdwLJ_VF_ref,
 158       nbnxn_kernel_ElecQSTab_VdwLJ_VF_ref,
 159       nbnxn_kernel_ElecQSTab_VdwLJFsw_VF_ref,
 160       nbnxn_kernel_ElecQSTab_VdwLJPsw_VF_ref,
 161       nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_VF_ref,
 162       nbnxn_kernel_ElecQSTab_VdwLJEwCombLB_VF_ref },
 163     { nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_ref,
 164       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_ref,
 165       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_ref,
 166       nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_VF_ref,
 167       nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_VF_ref,
 168       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_ref,
 169       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_VF_ref },
 170     { nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_ref,
 171       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_ref,
 172       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_ref,
 173       nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_VF_ref,
 174       nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_VF_ref,
 175       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_ref,
 176       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_VF_ref },
 177     { nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_ref,
 178       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_ref,
 179       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VF_ref,
 180       nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_VF_ref,
 181       nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_VF_ref,
 182       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_ref,
 183       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_VF_ref }
 184 };
 185
 186 static p_nbk_func_ener nbnxn_kernel_energrp_ref[coulktNR][vdwktNR_ref] = {
 187     { nbnxn_kernel_ElecRF_VdwLJ_VgrpF_ref,
 188       nbnxn_kernel_ElecRF_VdwLJ_VgrpF_ref,
 189       nbnxn_kernel_ElecRF_VdwLJ_VgrpF_ref,
 190       nbnxn_kernel_ElecRF_VdwLJFsw_VgrpF_ref,
 191       nbnxn_kernel_ElecRF_VdwLJPsw_VgrpF_ref,
 192       nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_ref,
 193       nbnxn_kernel_ElecRF_VdwLJEwCombLB_VgrpF_ref },
 194     { nbnxn_kernel_ElecQSTab_VdwLJ_VgrpF_ref,
 195       nbnxn_kernel_ElecQSTab_VdwLJ_VgrpF_ref,
 196       nbnxn_kernel_ElecQSTab_VdwLJ_VgrpF_ref,
 197       nbnxn_kernel_ElecQSTab_VdwLJFsw_VgrpF_ref,
 198       nbnxn_kernel_ElecQSTab_VdwLJPsw_VgrpF_ref,
 199       nbnxn_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_ref,
 200       nbnxn_kernel_ElecQSTab_VdwLJEwCombLB_VgrpF_ref },
 201     { nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_ref,
 202       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_ref,
 203       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_ref,
 204       nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_VgrpF_ref,
 205       nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_VgrpF_ref,
 206       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_ref,
 207       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_VgrpF_ref },
 208     { nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_ref,
 209       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_ref,
 210       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_ref,
 211       nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_VgrpF_ref,
 212       nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_VgrpF_ref,
 213       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_ref,
 214       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_VgrpF_ref },
 215     { nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_ref,
 216       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_ref,
 217       nbnxn_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_ref,
 218       nbnxn_kernel_ElecQSTabTwinCut_VdwLJFsw_VgrpF_ref,
 219       nbnxn_kernel_ElecQSTabTwinCut_VdwLJPsw_VgrpF_ref,
 220       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_ref,
 221       nbnxn_kernel_ElecQSTabTwinCut_VdwLJEwCombLB_VgrpF_ref }
 222 };
 223 //! \}
 224
 225 #endif /* INCLUDE_KERNELFUNCTION_TABLES */
 226
 227 #endif