src/gromacs/nbnxm/kernels_simd_2xmm/kernels.h

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 2012,2013,2014,2015,2019 by the GROMACS development team.
   5  * Copyright (c) 2021, 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
   8  * top-level source directory and at http://www.gromacs.org.
   9  *
  10  * GROMACS is free software; you can redistribute it and/or
  11  * modify it under the terms of the GNU Lesser General Public License
  12  * as published by the Free Software Foundation; either version 2.1
  13  * of the License, or (at your option) any later version.
  14  *
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  17  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  18  * Lesser General Public License for more details.
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  34  * the research papers on the package. Check out http://www.gromacs.org.
  35  */
  36 /*
  37  * Note: this file was generated by the Verlet kernel generator for
  38  * kernel type 2xmm.
  39  */
  40
  41
  42 #include "gromacs/nbnxm/kernel_common.h"
  43
  44 /* Declare all the different kernel functions.
  45  */
  46 nbk_func_noener nbnxm_kernel_ElecRF_VdwLJCombGeom_F_2xmm;
  47 nbk_func_noener nbnxm_kernel_ElecRF_VdwLJCombLB_F_2xmm;
  48 nbk_func_noener nbnxm_kernel_ElecRF_VdwLJ_F_2xmm;
  49 nbk_func_noener nbnxm_kernel_ElecRF_VdwLJFSw_F_2xmm;
  50 nbk_func_noener nbnxm_kernel_ElecRF_VdwLJPSw_F_2xmm;
  51 nbk_func_noener nbnxm_kernel_ElecRF_VdwLJEwCombGeom_F_2xmm;
  52 nbk_func_noener nbnxm_kernel_ElecQSTab_VdwLJCombGeom_F_2xmm;
  53 nbk_func_noener nbnxm_kernel_ElecQSTab_VdwLJCombLB_F_2xmm;
  54 nbk_func_noener nbnxm_kernel_ElecQSTab_VdwLJ_F_2xmm;
  55 nbk_func_noener nbnxm_kernel_ElecQSTab_VdwLJFSw_F_2xmm;
  56 nbk_func_noener nbnxm_kernel_ElecQSTab_VdwLJPSw_F_2xmm;
  57 nbk_func_noener nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_F_2xmm;
  58 nbk_func_noener nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_2xmm;
  59 nbk_func_noener nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_2xmm;
  60 nbk_func_noener nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_F_2xmm;
  61 nbk_func_noener nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_F_2xmm;
  62 nbk_func_noener nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_F_2xmm;
  63 nbk_func_noener nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_2xmm;
  64 nbk_func_noener nbnxm_kernel_ElecEw_VdwLJCombGeom_F_2xmm;
  65 nbk_func_noener nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm;
  66 nbk_func_noener nbnxm_kernel_ElecEw_VdwLJ_F_2xmm;
  67 nbk_func_noener nbnxm_kernel_ElecEw_VdwLJFSw_F_2xmm;
  68 nbk_func_noener nbnxm_kernel_ElecEw_VdwLJPSw_F_2xmm;
  69 nbk_func_noener nbnxm_kernel_ElecEw_VdwLJEwCombGeom_F_2xmm;
  70 nbk_func_noener nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_F_2xmm;
  71 nbk_func_noener nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_F_2xmm;
  72 nbk_func_noener nbnxm_kernel_ElecEwTwinCut_VdwLJ_F_2xmm;
  73 nbk_func_noener nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_F_2xmm;
  74 nbk_func_noener nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_F_2xmm;
  75 nbk_func_noener nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_2xmm;
  76
  77 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJCombGeom_VF_2xmm;
  78 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJCombLB_VF_2xmm;
  79 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJ_VF_2xmm;
  80 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJFSw_VF_2xmm;
  81 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJPSw_VF_2xmm;
  82 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VF_2xmm;
  83 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VF_2xmm;
  84 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJCombLB_VF_2xmm;
  85 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJ_VF_2xmm;
  86 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJFSw_VF_2xmm;
  87 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJPSw_VF_2xmm;
  88 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VF_2xmm;
  89 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF_2xmm;
  90 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VF_2xmm;
  91 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VF_2xmm;
  92 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VF_2xmm;
  93 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VF_2xmm;
  94 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_2xmm;
  95 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJCombGeom_VF_2xmm;
  96 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm;
  97 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJ_VF_2xmm;
  98 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJFSw_VF_2xmm;
  99 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJPSw_VF_2xmm;
 100 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VF_2xmm;
 101 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VF_2xmm;
 102 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VF_2xmm;
 103 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJ_VF_2xmm;
 104 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VF_2xmm;
 105 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VF_2xmm;
 106 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF_2xmm;
 107
 108 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJCombGeom_VgrpF_2xmm;
 109 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJCombLB_VgrpF_2xmm;
 110 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJ_VgrpF_2xmm;
 111 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJFSw_VgrpF_2xmm;
 112 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJPSw_VgrpF_2xmm;
 113 nbk_func_ener nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_2xmm;
 114 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_2xmm;
 115 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJCombLB_VgrpF_2xmm;
 116 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJ_VgrpF_2xmm;
 117 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJFSw_VgrpF_2xmm;
 118 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJPSw_VgrpF_2xmm;
 119 nbk_func_ener nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_2xmm;
 120 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_2xmm;
 121 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_2xmm;
 122 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_2xmm;
 123 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_2xmm;
 124 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_2xmm;
 125 nbk_func_ener nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_2xmm;
 126 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJCombGeom_VgrpF_2xmm;
 127 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJCombLB_VgrpF_2xmm;
 128 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJ_VgrpF_2xmm;
 129 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJFSw_VgrpF_2xmm;
 130 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJPSw_VgrpF_2xmm;
 131 nbk_func_ener nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_2xmm;
 132 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xmm;
 133 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_2xmm;
 134 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJ_VgrpF_2xmm;
 135 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_2xmm;
 136 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_2xmm;
 137 nbk_func_ener nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_2xmm;
 138
 139
 140 #ifdef INCLUDE_KERNELFUNCTION_TABLES
 141
 142 /* Declare and define the kernel function pointer lookup tables.
 143  * The minor index of the array goes over both the LJ combination rules,
 144  * which is only supported by plain cut-off, and the LJ switch/PME functions.
 145  */
 146 static const p_nbk_func_noener nbnxm_kernel_noener_simd_2xmm[coulktNR][vdwktNR] = {
 147     {
 148             nbnxm_kernel_ElecRF_VdwLJCombGeom_F_2xmm,
 149             nbnxm_kernel_ElecRF_VdwLJCombLB_F_2xmm,
 150             nbnxm_kernel_ElecRF_VdwLJ_F_2xmm,
 151             nbnxm_kernel_ElecRF_VdwLJFSw_F_2xmm,
 152             nbnxm_kernel_ElecRF_VdwLJPSw_F_2xmm,
 153             nbnxm_kernel_ElecRF_VdwLJEwCombGeom_F_2xmm,
 154     },
 155     {
 156             nbnxm_kernel_ElecQSTab_VdwLJCombGeom_F_2xmm,
 157             nbnxm_kernel_ElecQSTab_VdwLJCombLB_F_2xmm,
 158             nbnxm_kernel_ElecQSTab_VdwLJ_F_2xmm,
 159             nbnxm_kernel_ElecQSTab_VdwLJFSw_F_2xmm,
 160             nbnxm_kernel_ElecQSTab_VdwLJPSw_F_2xmm,
 161             nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_F_2xmm,
 162     },
 163     {
 164             nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_2xmm,
 165             nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_2xmm,
 166             nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_F_2xmm,
 167             nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_F_2xmm,
 168             nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_F_2xmm,
 169             nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_2xmm,
 170     },
 171     {
 172             nbnxm_kernel_ElecEw_VdwLJCombGeom_F_2xmm,
 173             nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm,
 174             nbnxm_kernel_ElecEw_VdwLJ_F_2xmm,
 175             nbnxm_kernel_ElecEw_VdwLJFSw_F_2xmm,
 176             nbnxm_kernel_ElecEw_VdwLJPSw_F_2xmm,
 177             nbnxm_kernel_ElecEw_VdwLJEwCombGeom_F_2xmm,
 178     },
 179     {
 180             nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_F_2xmm,
 181             nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_F_2xmm,
 182             nbnxm_kernel_ElecEwTwinCut_VdwLJ_F_2xmm,
 183             nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_F_2xmm,
 184             nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_F_2xmm,
 185             nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_2xmm,
 186     },
 187 };
 188
 189 static const p_nbk_func_ener nbnxm_kernel_ener_simd_2xmm[coulktNR][vdwktNR] = {
 190     {
 191             nbnxm_kernel_ElecRF_VdwLJCombGeom_VF_2xmm,
 192             nbnxm_kernel_ElecRF_VdwLJCombLB_VF_2xmm,
 193             nbnxm_kernel_ElecRF_VdwLJ_VF_2xmm,
 194             nbnxm_kernel_ElecRF_VdwLJFSw_VF_2xmm,
 195             nbnxm_kernel_ElecRF_VdwLJPSw_VF_2xmm,
 196             nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VF_2xmm,
 197     },
 198     {
 199             nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VF_2xmm,
 200             nbnxm_kernel_ElecQSTab_VdwLJCombLB_VF_2xmm,
 201             nbnxm_kernel_ElecQSTab_VdwLJ_VF_2xmm,
 202             nbnxm_kernel_ElecQSTab_VdwLJFSw_VF_2xmm,
 203             nbnxm_kernel_ElecQSTab_VdwLJPSw_VF_2xmm,
 204             nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VF_2xmm,
 205     },
 206     {
 207             nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF_2xmm,
 208             nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VF_2xmm,
 209             nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VF_2xmm,
 210             nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VF_2xmm,
 211             nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VF_2xmm,
 212             nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_2xmm,
 213     },
 214     {
 215             nbnxm_kernel_ElecEw_VdwLJCombGeom_VF_2xmm,
 216             nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm,
 217             nbnxm_kernel_ElecEw_VdwLJ_VF_2xmm,
 218             nbnxm_kernel_ElecEw_VdwLJFSw_VF_2xmm,
 219             nbnxm_kernel_ElecEw_VdwLJPSw_VF_2xmm,
 220             nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VF_2xmm,
 221     },
 222     {
 223             nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VF_2xmm,
 224             nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VF_2xmm,
 225             nbnxm_kernel_ElecEwTwinCut_VdwLJ_VF_2xmm,
 226             nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VF_2xmm,
 227             nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VF_2xmm,
 228             nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF_2xmm,
 229     },
 230 };
 231
 232 static const p_nbk_func_ener nbnxm_kernel_energrp_simd_2xmm[coulktNR][vdwktNR] = {
 233     {
 234             nbnxm_kernel_ElecRF_VdwLJCombGeom_VgrpF_2xmm,
 235             nbnxm_kernel_ElecRF_VdwLJCombLB_VgrpF_2xmm,
 236             nbnxm_kernel_ElecRF_VdwLJ_VgrpF_2xmm,
 237             nbnxm_kernel_ElecRF_VdwLJFSw_VgrpF_2xmm,
 238             nbnxm_kernel_ElecRF_VdwLJPSw_VgrpF_2xmm,
 239             nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_2xmm,
 240     },
 241     {
 242             nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_2xmm,
 243             nbnxm_kernel_ElecQSTab_VdwLJCombLB_VgrpF_2xmm,
 244             nbnxm_kernel_ElecQSTab_VdwLJ_VgrpF_2xmm,
 245             nbnxm_kernel_ElecQSTab_VdwLJFSw_VgrpF_2xmm,
 246             nbnxm_kernel_ElecQSTab_VdwLJPSw_VgrpF_2xmm,
 247             nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_2xmm,
 248     },
 249     {
 250             nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_2xmm,
 251             nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_2xmm,
 252             nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_2xmm,
 253             nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_2xmm,
 254             nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_2xmm,
 255             nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_2xmm,
 256     },
 257     {
 258             nbnxm_kernel_ElecEw_VdwLJCombGeom_VgrpF_2xmm,
 259             nbnxm_kernel_ElecEw_VdwLJCombLB_VgrpF_2xmm,
 260             nbnxm_kernel_ElecEw_VdwLJ_VgrpF_2xmm,
 261             nbnxm_kernel_ElecEw_VdwLJFSw_VgrpF_2xmm,
 262             nbnxm_kernel_ElecEw_VdwLJPSw_VgrpF_2xmm,
 263             nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_2xmm,
 264     },
 265     {
 266             nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xmm,
 267             nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_2xmm,
 268             nbnxm_kernel_ElecEwTwinCut_VdwLJ_VgrpF_2xmm,
 269             nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_2xmm,
 270             nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_2xmm,
 271             nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_2xmm,
 272     },
 273 };
 274
 275
 276 #endif /* INCLUDE_KERNELFUNCTION_TABLES */