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, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   6  * and including many others, as listed in the AUTHORS file in the
   7  * top-level source directory and at http://www.gromacs.org.
   8  *
   9  * GROMACS is free software; you can redistribute it and/or
  10  * modify it under the terms of the GNU Lesser General Public License
  11  * as published by the Free Software Foundation; either version 2.1
  12  * of the License, or (at your option) any later version.
  13  *
  14  * GROMACS is distributed in the hope that it will be useful,
  15  * but WITHOUT ANY WARRANTY; without even the implied warranty of
  16  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  17  * Lesser General Public License for more details.
  18  *
  19  * You should have received a copy of the GNU Lesser General Public
  20  * License along with GROMACS; if not, see
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  22  * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  23  *
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  26  * control is crucial - bugs must be traceable. We will be happy to
  27  * consider code for inclusion in the official distribution, but
  28  * derived work must not be called official GROMACS. Details are found
  29  * in the README & COPYING files - if they are missing, get the
  30  * official version at http://www.gromacs.org.
  31  *
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  33  * the research papers on the package. Check out http://www.gromacs.org.
  34  */
  35 /*
  36  * Note: this file was generated by the Verlet kernel generator for
  37  * kernel type 2xmm.
  38  */
  39
  40
  41 #include "gromacs/nbnxm/kernel_common.h"
  42
  43 /* Declare all the different kernel functions.
  44  */
  45 nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJCombGeom_F_2xmm;
  46 nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJCombLB_F_2xmm;
  47 nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJ_F_2xmm;
  48 nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJFSw_F_2xmm;
  49 nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJPSw_F_2xmm;
  50 nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJEwCombGeom_F_2xmm;
  51 nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJCombGeom_F_2xmm;
  52 nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJCombLB_F_2xmm;
  53 nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJ_F_2xmm;
  54 nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJFSw_F_2xmm;
  55 nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJPSw_F_2xmm;
  56 nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_F_2xmm;
  57 nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_2xmm;
  58 nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_2xmm;
  59 nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_F_2xmm;
  60 nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_F_2xmm;
  61 nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_F_2xmm;
  62 nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_2xmm;
  63 nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJCombGeom_F_2xmm;
  64 nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm;
  65 nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJ_F_2xmm;
  66 nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJFSw_F_2xmm;
  67 nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJPSw_F_2xmm;
  68 nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJEwCombGeom_F_2xmm;
  69 nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_F_2xmm;
  70 nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_F_2xmm;
  71 nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJ_F_2xmm;
  72 nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_F_2xmm;
  73 nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_F_2xmm;
  74 nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_2xmm;
  75
  76 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombGeom_VF_2xmm;
  77 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombLB_VF_2xmm;
  78 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJ_VF_2xmm;
  79 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJFSw_VF_2xmm;
  80 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJPSw_VF_2xmm;
  81 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VF_2xmm;
  82 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VF_2xmm;
  83 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombLB_VF_2xmm;
  84 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJ_VF_2xmm;
  85 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJFSw_VF_2xmm;
  86 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJPSw_VF_2xmm;
  87 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VF_2xmm;
  88 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF_2xmm;
  89 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VF_2xmm;
  90 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VF_2xmm;
  91 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VF_2xmm;
  92 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VF_2xmm;
  93 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_2xmm;
  94 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombGeom_VF_2xmm;
  95 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm;
  96 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJ_VF_2xmm;
  97 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJFSw_VF_2xmm;
  98 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJPSw_VF_2xmm;
  99 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VF_2xmm;
 100 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VF_2xmm;
 101 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VF_2xmm;
 102 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJ_VF_2xmm;
 103 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VF_2xmm;
 104 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VF_2xmm;
 105 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF_2xmm;
 106
 107 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombGeom_VgrpF_2xmm;
 108 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombLB_VgrpF_2xmm;
 109 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJ_VgrpF_2xmm;
 110 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJFSw_VgrpF_2xmm;
 111 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJPSw_VgrpF_2xmm;
 112 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_2xmm;
 113 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_2xmm;
 114 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombLB_VgrpF_2xmm;
 115 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJ_VgrpF_2xmm;
 116 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJFSw_VgrpF_2xmm;
 117 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJPSw_VgrpF_2xmm;
 118 nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_2xmm;
 119 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_2xmm;
 120 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_2xmm;
 121 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_2xmm;
 122 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_2xmm;
 123 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_2xmm;
 124 nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_2xmm;
 125 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombGeom_VgrpF_2xmm;
 126 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombLB_VgrpF_2xmm;
 127 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJ_VgrpF_2xmm;
 128 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJFSw_VgrpF_2xmm;
 129 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJPSw_VgrpF_2xmm;
 130 nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_2xmm;
 131 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xmm;
 132 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_2xmm;
 133 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJ_VgrpF_2xmm;
 134 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_2xmm;
 135 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_2xmm;
 136 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_2xmm;
 137
 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 p_nbk_func_noener nbnxm_kernel_noener_simd_2xmm[coulktNR][vdwktNR] =
 147 {
 148     {
 149         nbnxm_kernel_ElecRF_VdwLJCombGeom_F_2xmm,
 150         nbnxm_kernel_ElecRF_VdwLJCombLB_F_2xmm,
 151         nbnxm_kernel_ElecRF_VdwLJ_F_2xmm,
 152         nbnxm_kernel_ElecRF_VdwLJFSw_F_2xmm,
 153         nbnxm_kernel_ElecRF_VdwLJPSw_F_2xmm,
 154         nbnxm_kernel_ElecRF_VdwLJEwCombGeom_F_2xmm,
 155     },
 156     {
 157         nbnxm_kernel_ElecQSTab_VdwLJCombGeom_F_2xmm,
 158         nbnxm_kernel_ElecQSTab_VdwLJCombLB_F_2xmm,
 159         nbnxm_kernel_ElecQSTab_VdwLJ_F_2xmm,
 160         nbnxm_kernel_ElecQSTab_VdwLJFSw_F_2xmm,
 161         nbnxm_kernel_ElecQSTab_VdwLJPSw_F_2xmm,
 162         nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_F_2xmm,
 163     },
 164     {
 165         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_2xmm,
 166         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_2xmm,
 167         nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_F_2xmm,
 168         nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_F_2xmm,
 169         nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_F_2xmm,
 170         nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_2xmm,
 171     },
 172     {
 173         nbnxm_kernel_ElecEw_VdwLJCombGeom_F_2xmm,
 174         nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm,
 175         nbnxm_kernel_ElecEw_VdwLJ_F_2xmm,
 176         nbnxm_kernel_ElecEw_VdwLJFSw_F_2xmm,
 177         nbnxm_kernel_ElecEw_VdwLJPSw_F_2xmm,
 178         nbnxm_kernel_ElecEw_VdwLJEwCombGeom_F_2xmm,
 179     },
 180     {
 181         nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_F_2xmm,
 182         nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_F_2xmm,
 183         nbnxm_kernel_ElecEwTwinCut_VdwLJ_F_2xmm,
 184         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_F_2xmm,
 185         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_F_2xmm,
 186         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_2xmm,
 187     },
 188 };
 189
 190 static p_nbk_func_ener nbnxm_kernel_ener_simd_2xmm[coulktNR][vdwktNR] =
 191 {
 192     {
 193         nbnxm_kernel_ElecRF_VdwLJCombGeom_VF_2xmm,
 194         nbnxm_kernel_ElecRF_VdwLJCombLB_VF_2xmm,
 195         nbnxm_kernel_ElecRF_VdwLJ_VF_2xmm,
 196         nbnxm_kernel_ElecRF_VdwLJFSw_VF_2xmm,
 197         nbnxm_kernel_ElecRF_VdwLJPSw_VF_2xmm,
 198         nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VF_2xmm,
 199     },
 200     {
 201         nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VF_2xmm,
 202         nbnxm_kernel_ElecQSTab_VdwLJCombLB_VF_2xmm,
 203         nbnxm_kernel_ElecQSTab_VdwLJ_VF_2xmm,
 204         nbnxm_kernel_ElecQSTab_VdwLJFSw_VF_2xmm,
 205         nbnxm_kernel_ElecQSTab_VdwLJPSw_VF_2xmm,
 206         nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VF_2xmm,
 207     },
 208     {
 209         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF_2xmm,
 210         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VF_2xmm,
 211         nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VF_2xmm,
 212         nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VF_2xmm,
 213         nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VF_2xmm,
 214         nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_2xmm,
 215     },
 216     {
 217         nbnxm_kernel_ElecEw_VdwLJCombGeom_VF_2xmm,
 218         nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm,
 219         nbnxm_kernel_ElecEw_VdwLJ_VF_2xmm,
 220         nbnxm_kernel_ElecEw_VdwLJFSw_VF_2xmm,
 221         nbnxm_kernel_ElecEw_VdwLJPSw_VF_2xmm,
 222         nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VF_2xmm,
 223     },
 224     {
 225         nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VF_2xmm,
 226         nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VF_2xmm,
 227         nbnxm_kernel_ElecEwTwinCut_VdwLJ_VF_2xmm,
 228         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VF_2xmm,
 229         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VF_2xmm,
 230         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF_2xmm,
 231     },
 232 };
 233
 234 static p_nbk_func_ener nbnxm_kernel_energrp_simd_2xmm[coulktNR][vdwktNR] =
 235 {
 236     {
 237         nbnxm_kernel_ElecRF_VdwLJCombGeom_VgrpF_2xmm,
 238         nbnxm_kernel_ElecRF_VdwLJCombLB_VgrpF_2xmm,
 239         nbnxm_kernel_ElecRF_VdwLJ_VgrpF_2xmm,
 240         nbnxm_kernel_ElecRF_VdwLJFSw_VgrpF_2xmm,
 241         nbnxm_kernel_ElecRF_VdwLJPSw_VgrpF_2xmm,
 242         nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_2xmm,
 243     },
 244     {
 245         nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_2xmm,
 246         nbnxm_kernel_ElecQSTab_VdwLJCombLB_VgrpF_2xmm,
 247         nbnxm_kernel_ElecQSTab_VdwLJ_VgrpF_2xmm,
 248         nbnxm_kernel_ElecQSTab_VdwLJFSw_VgrpF_2xmm,
 249         nbnxm_kernel_ElecQSTab_VdwLJPSw_VgrpF_2xmm,
 250         nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_2xmm,
 251     },
 252     {
 253         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_2xmm,
 254         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_2xmm,
 255         nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_2xmm,
 256         nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_2xmm,
 257         nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_2xmm,
 258         nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_2xmm,
 259     },
 260     {
 261         nbnxm_kernel_ElecEw_VdwLJCombGeom_VgrpF_2xmm,
 262         nbnxm_kernel_ElecEw_VdwLJCombLB_VgrpF_2xmm,
 263         nbnxm_kernel_ElecEw_VdwLJ_VgrpF_2xmm,
 264         nbnxm_kernel_ElecEw_VdwLJFSw_VgrpF_2xmm,
 265         nbnxm_kernel_ElecEw_VdwLJPSw_VgrpF_2xmm,
 266         nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_2xmm,
 267     },
 268     {
 269         nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xmm,
 270         nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_2xmm,
 271         nbnxm_kernel_ElecEwTwinCut_VdwLJ_VgrpF_2xmm,
 272         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_2xmm,
 273         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_2xmm,
 274         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_2xmm,
 275     },
 276 };
 277
 278
 279 #endif /* INCLUDE_KERNELFUNCTION_TABLES */