/* * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 2017,2018,2019,2021, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. * * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * * GROMACS is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU * Lesser General Public License for more details. * * You should have received a copy of the GNU Lesser General Public * License along with GROMACS; if not, see * http://www.gnu.org/licenses, or write to the Free Software Foundation, * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * * If you want to redistribute modifications to GROMACS, please * consider that scientific software is very special. Version * control is crucial - bugs must be traceable. We will be happy to * consider code for inclusion in the official distribution, but * derived work must not be called official GROMACS. Details are found * in the README & COPYING files - if they are missing, get the * official version at http://www.gromacs.org. * * To help us fund GROMACS development, we humbly ask that you cite * the research papers on the package. Check out http://www.gromacs.org. */ /* Generate pruning kernels. */ #define HAVE_FRESH_LIST 1 #include "nbnxm_ocl_kernel_pruneonly.clh" #undef HAVE_FRESH_LIST #include "nbnxm_ocl_kernel_pruneonly.clh" #if defined GMX_OCL_FASTGEN # define FLAVOR_LEVEL_GENERATOR "nbnxm_ocl_kernels_fastgen.clh" #elif defined GMX_OCL_FASTGEN_ADD_TWINCUT # define FLAVOR_LEVEL_GENERATOR "nbnxm_ocl_kernels_fastgen_add_twincut.clh" #else # define FLAVOR_LEVEL_GENERATOR "nbnxm_ocl_kernels.clh" #endif /* Top-level kernel generation: will generate through multiple inclusion the * following flavors for all kernels: * - force-only output; * - force and energy output; * - force-only with pair list pruning; * - force and energy output with pair list pruning. */ /** Force only **/ #include FLAVOR_LEVEL_GENERATOR /** Force & energy **/ #define CALC_ENERGIES #include FLAVOR_LEVEL_GENERATOR #undef CALC_ENERGIES /*** Pair-list pruning kernels ***/ /** Force only **/ #define PRUNE_NBL #include FLAVOR_LEVEL_GENERATOR /** Force & energy **/ #define CALC_ENERGIES #include FLAVOR_LEVEL_GENERATOR #undef CALC_ENERGIES #undef PRUNE_NBL